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-A2-f1f3ac2a/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/pbt-A2-f1f3ac2a/inputs/seq.fa: 1
curr_seq: _CAGCUGCCCUGAGCCUCCCACUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGCCCUGAGCCUCCCACUCC
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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-A2-f1f3ac2a/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/pbt-A2-f1f3ac2a/inputs/seq.fa: 1
curr_seq: _CAGCUGCCCUGAGCCUCCCACUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGCCCUGAGCCUCCCACUCC
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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-A2-f1f3ac2a/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/pbt-A2-f1f3ac2a/inputs/seq.fa: 1
curr_seq: _CAGCUGCCCUGAGCCUCCCACUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGCCCUGAGCCUCCCACUCC
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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-A2-f1f3ac2a/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/pbt-A2-f1f3ac2a/inputs/seq.fa: 1
curr_seq: _CAGCUGCCCUGAGCCUCCCACUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGCCCUGAGCCUCCCACUCC
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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-A2-f1f3ac2a/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/pbt-A2-f1f3ac2a/inputs/seq.fa: 1
curr_seq: _CAGCUGCCCUGAGCCUCCCACUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGCCCUGAGCCUCCCACUCC
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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-A2-f1f3ac2a/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/pbt-A2-f1f3ac2a/inputs/seq.fa: 1
curr_seq: _CAGCUGCCCUGAGCCUCCCACUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGCCCUGAGCCUCCCACUCC
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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-A2-f1f3ac2a/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/pbt-A2-f1f3ac2a/inputs/seq.fa: 1
curr_seq: _CAGCUGCCCUGAGCCUCCCACUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGCCCUGAGCCUCCCACUCC
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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-A2-f1f3ac2a/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/pbt-A2-f1f3ac2a/inputs/seq.fa: 1
curr_seq: _CAGCUGCCCUGAGCCUCCCACUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGCCCUGAGCCUCCCACUCC
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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-A2-f1f3ac2a/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/pbt-A2-f1f3ac2a/inputs/seq.fa: 1
curr_seq: _CAGCUGCCCUGAGCCUCCCACUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGCCCUGAGCCUCCCACUCC
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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-A2-f1f3ac2a/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/pbt-A2-f1f3ac2a/inputs/seq.fa: 1
curr_seq: _CAGCUGCCCUGAGCCUCCCACUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGCCCUGAGCCUCCCACUCC
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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: -91.121813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.121813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.121813 (E_RNA)
where:
Base-Base interactions energy: -1.862
where: short stacking energy: -1.862
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -91.121813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.121813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.121813 (E_RNA)
where:
Base-Base interactions energy: -1.862
where: short stacking energy: -1.862
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -91.121813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.121813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.121813 (E_RNA)
where:
Base-Base interactions energy: -1.862
where: short stacking energy: -1.862
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -91.121813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.121813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.121813 (E_RNA)
where:
Base-Base interactions energy: -1.862
where: short stacking energy: -1.862
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -91.121813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.121813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.121813 (E_RNA)
where:
Base-Base interactions energy: -1.862
where: short stacking energy: -1.862
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -91.121813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.121813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.121813 (E_RNA)
where:
Base-Base interactions energy: -1.862
where: short stacking energy: -1.862
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -91.121813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.121813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.121813 (E_RNA)
where:
Base-Base interactions energy: -1.862
where: short stacking energy: -1.862
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -91.121813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.121813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.121813 (E_RNA)
where:
Base-Base interactions energy: -1.862
where: short stacking energy: -1.862
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -91.121813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.121813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.121813 (E_RNA)
where:
Base-Base interactions energy: -1.862
where: short stacking energy: -1.862
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -91.121813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.121813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.121813 (E_RNA)
where:
Base-Base interactions energy: -1.862
where: short stacking energy: -1.862
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -158.742711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.742711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.742711 (E_RNA)
where:
Base-Base interactions energy: -72.712
where: short stacking energy: -72.712
Base-Backbone interact. energy: -0.144
local terms energy: -85.886065
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -18.171
flat angles P-C4'-P energy: -14.301
tors. eta vs tors. theta energy: -22.519
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: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -140.891405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.891405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.891405 (E_RNA)
where:
Base-Base interactions energy: -61.998
where: short stacking energy: -58.059
Base-Backbone interact. energy: -0.092
local terms energy: -78.801795
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -19.934
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: -13.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -150.142933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.142933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.142933 (E_RNA)
where:
Base-Base interactions energy: -72.228
where: short stacking energy: -59.626
Base-Backbone interact. energy: -0.520
local terms energy: -77.395425
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -18.910
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: -14.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -124.769881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.769881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.769881 (E_RNA)
where:
Base-Base interactions energy: -55.258
where: short stacking energy: -55.258
Base-Backbone interact. energy: 0.388
local terms energy: -69.900238
where:
bonds (distance) C4'-P energy: -17.932
bonds (distance) P-C4' energy: -11.788
flat angles C4'-P-C4' energy: -17.525
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -11.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -108.187230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.187230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.187230 (E_RNA)
where:
Base-Base interactions energy: -37.947
where: short stacking energy: -32.205
Base-Backbone interact. energy: -0.132
local terms energy: -70.108062
where:
bonds (distance) C4'-P energy: -18.127
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -7.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -102.669414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.669414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.669414 (E_RNA)
where:
Base-Base interactions energy: -41.270
where: short stacking energy: -40.675
Base-Backbone interact. energy: -0.270
local terms energy: -61.129262
where:
bonds (distance) C4'-P energy: -17.349
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -11.302
flat angles P-C4'-P energy: -12.141
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: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -114.386306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.386306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.386306 (E_RNA)
where:
Base-Base interactions energy: -51.461
where: short stacking energy: -51.461
Base-Backbone interact. energy: -0.144
local terms energy: -62.781107
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -11.941
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -11.679
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: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -110.125590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.125590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.125590 (E_RNA)
where:
Base-Base interactions energy: -45.764
where: short stacking energy: -42.818
Base-Backbone interact. energy: -0.208
local terms energy: -64.153434
where:
bonds (distance) C4'-P energy: -18.869
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -1.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -90.433125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.433125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.433125 (E_RNA)
where:
Base-Base interactions energy: -1.862
where: short stacking energy: -1.862
Base-Backbone interact. energy: -0.000
local terms energy: -88.570865
where:
bonds (distance) C4'-P energy: -23.202
bonds (distance) P-C4' energy: -22.360
flat angles C4'-P-C4' energy: -17.036
flat angles P-C4'-P energy: -20.083
tors. eta vs tors. theta energy: -5.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -93.371398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.371398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.371398 (E_RNA)
where:
Base-Base interactions energy: -5.363
where: short stacking energy: -5.363
Base-Backbone interact. energy: -0.000
local terms energy: -88.007865
where:
bonds (distance) C4'-P energy: -23.202
bonds (distance) P-C4' energy: -22.353
flat angles C4'-P-C4' energy: -16.841
flat angles P-C4'-P energy: -19.819
tors. eta vs tors. theta energy: -5.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -158.655339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.655339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.655339 (E_RNA)
where:
Base-Base interactions energy: -70.640
where: short stacking energy: -70.640
Base-Backbone interact. energy: -0.000
local terms energy: -88.014891
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -18.078
flat angles P-C4'-P energy: -14.844
tors. eta vs tors. theta energy: -21.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -155.893034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.893034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.893034 (E_RNA)
where:
Base-Base interactions energy: -81.320
where: short stacking energy: -55.438
Base-Backbone interact. energy: -0.358
local terms energy: -74.215234
where:
bonds (distance) C4'-P energy: -18.685
bonds (distance) P-C4' energy: -19.026
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -12.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -121.850615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.850615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.850615 (E_RNA)
where:
Base-Base interactions energy: -56.114
where: short stacking energy: -45.854
Base-Backbone interact. energy: -0.197
local terms energy: -65.539446
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -18.634
flat angles P-C4'-P energy: -7.878
tors. eta vs tors. theta energy: -7.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -135.500860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.500860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.500860 (E_RNA)
where:
Base-Base interactions energy: -71.090
where: short stacking energy: -42.596
Base-Backbone interact. energy: -0.440
local terms energy: -63.970480
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -19.751
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -6.739
tors. eta vs tors. theta energy: -6.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -127.288605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.288605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.288605 (E_RNA)
where:
Base-Base interactions energy: -55.641
where: short stacking energy: -55.641
Base-Backbone interact. energy: 0.691
local terms energy: -72.338644
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -19.497
flat angles C4'-P-C4' energy: -10.808
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -15.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -119.381038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.381038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.381038 (E_RNA)
where:
Base-Base interactions energy: -64.838
where: short stacking energy: -38.462
Base-Backbone interact. energy: -0.376
local terms energy: -54.167308
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -0.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -116.087238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.087238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.087238 (E_RNA)
where:
Base-Base interactions energy: -53.653
where: short stacking energy: -34.858
Base-Backbone interact. energy: -0.138
local terms energy: -62.295680
where:
bonds (distance) C4'-P energy: -11.844
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -9.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -101.893701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.893701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.893701 (E_RNA)
where:
Base-Base interactions energy: -49.512
where: short stacking energy: -23.040
Base-Backbone interact. energy: 1.398
local terms energy: -53.779477
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -19.193
flat angles C4'-P-C4' energy: -11.130
flat angles P-C4'-P energy: -6.504
tors. eta vs tors. theta energy: 0.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -96.311958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.311958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.311958 (E_RNA)
where:
Base-Base interactions energy: -44.980
where: short stacking energy: -31.751
Base-Backbone interact. energy: 0.393
local terms energy: -51.724745
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: 0.374
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: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -84.820943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.820943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.820943 (E_RNA)
where:
Base-Base interactions energy: -28.774
where: short stacking energy: -25.327
Base-Backbone interact. energy: -0.465
local terms energy: -55.581571
where:
bonds (distance) C4'-P energy: -11.535
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -1.932
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: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -154.831737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.831737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.831737 (E_RNA)
where:
Base-Base interactions energy: -71.619
where: short stacking energy: -71.619
Base-Backbone interact. energy: -0.003
local terms energy: -83.209285
where:
bonds (distance) C4'-P energy: -18.640
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -17.285
flat angles P-C4'-P energy: -13.288
tors. eta vs tors. theta energy: -20.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -156.474815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.474815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.474815 (E_RNA)
where:
Base-Base interactions energy: -76.335
where: short stacking energy: -65.133
Base-Backbone interact. energy: -0.873
local terms energy: -79.267050
where:
bonds (distance) C4'-P energy: -18.044
bonds (distance) P-C4' energy: -17.816
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -17.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -182.172020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.172020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.172020 (E_RNA)
where:
Base-Base interactions energy: -105.963
where: short stacking energy: -57.537
Base-Backbone interact. energy: -0.245
local terms energy: -75.964403
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -14.888
flat angles C4'-P-C4' energy: -18.161
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -18.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -118.208348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.208348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.208348 (E_RNA)
where:
Base-Base interactions energy: -51.136
where: short stacking energy: -51.136
Base-Backbone interact. energy: -0.025
local terms energy: -67.047348
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -17.267
flat angles P-C4'-P energy: -6.259
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: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -151.193404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.193404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.193404 (E_RNA)
where:
Base-Base interactions energy: -84.838
where: short stacking energy: -39.777
Base-Backbone interact. energy: -0.101
local terms energy: -66.254191
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -19.086
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -4.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -104.921546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.921546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.921546 (E_RNA)
where:
Base-Base interactions energy: -44.054
where: short stacking energy: -44.054
Base-Backbone interact. energy: -0.016
local terms energy: -60.851309
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -17.452
flat angles P-C4'-P energy: -8.839
tors. eta vs tors. theta energy: -6.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -132.931694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.931694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.931694 (E_RNA)
where:
Base-Base interactions energy: -80.092
where: short stacking energy: -29.980
Base-Backbone interact. energy: -0.294
local terms energy: -52.545490
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -3.539
tors. eta vs tors. theta energy: -0.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -100.039196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.039196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.039196 (E_RNA)
where:
Base-Base interactions energy: -49.154
where: short stacking energy: -19.789
Base-Backbone interact. energy: -0.625
local terms energy: -50.260327
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -13.273
flat angles C4'-P-C4' energy: -9.830
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -0.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -83.873731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.873731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.873731 (E_RNA)
where:
Base-Base interactions energy: -31.485
where: short stacking energy: -28.064
Base-Backbone interact. energy: 0.472
local terms energy: -52.860512
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -18.831
flat angles C4'-P-C4' energy: -11.839
flat angles P-C4'-P energy: -13.527
tors. eta vs tors. theta energy: 4.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -101.495896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.495896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.495896 (E_RNA)
where:
Base-Base interactions energy: -45.906
where: short stacking energy: -40.627
Base-Backbone interact. energy: -1.360
local terms energy: -54.229526
where:
bonds (distance) C4'-P energy: -6.965
bonds (distance) P-C4' energy: -16.799
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -6.008
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: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -167.334359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.334359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.334359 (E_RNA)
where:
Base-Base interactions energy: -93.728
where: short stacking energy: -65.928
Base-Backbone interact. energy: -0.096
local terms energy: -73.510107
where:
bonds (distance) C4'-P energy: -18.080
bonds (distance) P-C4' energy: -14.732
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -16.322
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: 5
Temperature: 0.950000
Total energy: -191.676805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.676805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.676805 (E_RNA)
where:
Base-Base interactions energy: -106.802
where: short stacking energy: -62.158
Base-Backbone interact. energy: -0.397
local terms energy: -84.477227
where:
bonds (distance) C4'-P energy: -18.455
bonds (distance) P-C4' energy: -19.767
flat angles C4'-P-C4' energy: -18.491
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -18.113
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: 5
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -156.520528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.520528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.520528 (E_RNA)
where:
Base-Base interactions energy: -81.746
where: short stacking energy: -57.343
Base-Backbone interact. energy: -0.076
local terms energy: -74.698510
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -13.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -172.413931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.413931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.413931 (E_RNA)
where:
Base-Base interactions energy: -98.971
where: short stacking energy: -52.276
Base-Backbone interact. energy: -0.867
local terms energy: -72.576188
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -17.533
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: -12.168
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: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -126.867038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.867038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.867038 (E_RNA)
where:
Base-Base interactions energy: -58.620
where: short stacking energy: -51.581
Base-Backbone interact. energy: -0.199
local terms energy: -68.048046
where:
bonds (distance) C4'-P energy: -9.839
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -18.886
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -8.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -137.370472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.370472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.370472 (E_RNA)
where:
Base-Base interactions energy: -70.601
where: short stacking energy: -49.708
Base-Backbone interact. energy: -0.089
local terms energy: -66.680240
where:
bonds (distance) C4'-P energy: -18.786
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -7.398
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: 7, replica: 6
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -97.893084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.893084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.893084 (E_RNA)
where:
Base-Base interactions energy: -32.774
where: short stacking energy: -31.429
Base-Backbone interact. energy: 0.627
local terms energy: -65.746330
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -20.208
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -5.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -112.915765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.915765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.915765 (E_RNA)
where:
Base-Base interactions energy: -51.874
where: short stacking energy: -51.047
Base-Backbone interact. energy: -0.100
local terms energy: -60.942173
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -12.721
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: 9, replica: 8
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -89.891572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.891572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.891572 (E_RNA)
where:
Base-Base interactions energy: -32.639
where: short stacking energy: -30.774
Base-Backbone interact. energy: -0.089
local terms energy: -57.163519
where:
bonds (distance) C4'-P energy: -15.218
bonds (distance) P-C4' energy: -7.614
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -13.759
tors. eta vs tors. theta energy: -5.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -89.606298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.606298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.606298 (E_RNA)
where:
Base-Base interactions energy: -29.763
where: short stacking energy: -24.005
Base-Backbone interact. energy: -0.363
local terms energy: -59.480196
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -7.099
tors. eta vs tors. theta energy: -3.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -185.571264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.571264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.571264 (E_RNA)
where:
Base-Base interactions energy: -106.209
where: short stacking energy: -71.333
Base-Backbone interact. energy: -0.156
local terms energy: -79.205601
where:
bonds (distance) C4'-P energy: -17.618
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -17.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -194.395543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.395543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.395543 (E_RNA)
where:
Base-Base interactions energy: -112.313
where: short stacking energy: -70.802
Base-Backbone interact. energy: -0.120
local terms energy: -81.962515
where:
bonds (distance) C4'-P energy: -17.000
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -18.573
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: -16.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -181.119986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.119986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.119986 (E_RNA)
where:
Base-Base interactions energy: -112.576
where: short stacking energy: -55.275
Base-Backbone interact. energy: -0.273
local terms energy: -68.271112
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -11.800
tors. eta vs tors. theta energy: -9.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -178.998001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.998001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.998001 (E_RNA)
where:
Base-Base interactions energy: -105.581
where: short stacking energy: -56.054
Base-Backbone interact. energy: 0.455
local terms energy: -73.871931
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -18.306
flat angles C4'-P-C4' energy: -17.527
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -14.188
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: 2
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -119.184227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.184227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.184227 (E_RNA)
where:
Base-Base interactions energy: -50.269
where: short stacking energy: -42.069
Base-Backbone interact. energy: 0.188
local terms energy: -69.103486
where:
bonds (distance) C4'-P energy: -20.341
bonds (distance) P-C4' energy: -20.334
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -5.188
tors. eta vs tors. theta energy: -7.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -109.584035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.584035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.584035 (E_RNA)
where:
Base-Base interactions energy: -44.275
where: short stacking energy: -41.842
Base-Backbone interact. energy: -0.122
local terms energy: -65.186877
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -16.527
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -7.786
tors. eta vs tors. theta energy: -9.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -101.244079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.244079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.244079 (E_RNA)
where:
Base-Base interactions energy: -42.018
where: short stacking energy: -28.616
Base-Backbone interact. energy: -0.443
local terms energy: -58.783103
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -11.708
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: 8, replica: 6
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -92.097531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.097531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.097531 (E_RNA)
where:
Base-Base interactions energy: -40.514
where: short stacking energy: -29.859
Base-Backbone interact. energy: -0.012
local terms energy: -51.571443
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -18.331
flat angles C4'-P-C4' energy: -10.847
flat angles P-C4'-P energy: -6.972
tors. eta vs tors. theta energy: -0.862
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: 9, replica: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -110.136859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.136859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.136859 (E_RNA)
where:
Base-Base interactions energy: -50.394
where: short stacking energy: -28.107
Base-Backbone interact. energy: -0.654
local terms energy: -59.089017
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -10.610
flat angles C4'-P-C4' energy: -16.885
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -4.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -86.913343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.913343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.913343 (E_RNA)
where:
Base-Base interactions energy: -30.445
where: short stacking energy: -30.445
Base-Backbone interact. energy: -0.011
local terms energy: -56.456686
where:
bonds (distance) C4'-P energy: -15.393
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -4.864
tors. eta vs tors. theta energy: -6.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -186.309120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.309120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.309120 (E_RNA)
where:
Base-Base interactions energy: -96.190
where: short stacking energy: -66.150
Base-Backbone interact. energy: -0.362
local terms energy: -89.757053
where:
bonds (distance) C4'-P energy: -16.104
bonds (distance) P-C4' energy: -19.418
flat angles C4'-P-C4' energy: -19.558
flat angles P-C4'-P energy: -14.972
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: 2, replica: 7
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -217.164240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.164240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.164240 (E_RNA)
where:
Base-Base interactions energy: -133.360
where: short stacking energy: -62.085
Base-Backbone interact. energy: -0.055
local terms energy: -83.749151
where:
bonds (distance) C4'-P energy: -19.664
bonds (distance) P-C4' energy: -19.696
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -18.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -176.769515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.769515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.769515 (E_RNA)
where:
Base-Base interactions energy: -108.614
where: short stacking energy: -58.220
Base-Backbone interact. energy: -0.187
local terms energy: -67.968397
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -10.925
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -11.933
tors. eta vs tors. theta energy: -15.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -191.832861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.832861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.832861 (E_RNA)
where:
Base-Base interactions energy: -114.493
where: short stacking energy: -58.593
Base-Backbone interact. energy: -0.234
local terms energy: -77.105525
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -18.107
flat angles C4'-P-C4' energy: -12.057
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -20.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -145.395153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.395153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.395153 (E_RNA)
where:
Base-Base interactions energy: -81.088
where: short stacking energy: -53.485
Base-Backbone interact. energy: -0.670
local terms energy: -63.637409
where:
bonds (distance) C4'-P energy: -17.791
bonds (distance) P-C4' energy: -15.313
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -7.806
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: 6, replica: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -137.115011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.115011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.115011 (E_RNA)
where:
Base-Base interactions energy: -77.660
where: short stacking energy: -38.548
Base-Backbone interact. energy: -0.269
local terms energy: -59.186008
where:
bonds (distance) C4'-P energy: -12.075
bonds (distance) P-C4' energy: -16.763
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -7.539
tors. eta vs tors. theta energy: -7.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -100.879111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.879111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.879111 (E_RNA)
where:
Base-Base interactions energy: -54.438
where: short stacking energy: -32.447
Base-Backbone interact. energy: 2.818
local terms energy: -49.259348
where:
bonds (distance) C4'-P energy: -17.461
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -11.462
flat angles P-C4'-P energy: -3.455
tors. eta vs tors. theta energy: -0.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -103.524665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.524665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.524665 (E_RNA)
where:
Base-Base interactions energy: -51.535
where: short stacking energy: -32.007
Base-Backbone interact. energy: -0.116
local terms energy: -51.873159
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -10.615
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: -2.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -88.303439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.303439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.303439 (E_RNA)
where:
Base-Base interactions energy: -39.989
where: short stacking energy: -28.995
Base-Backbone interact. energy: 0.620
local terms energy: -48.934363
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -15.803
flat angles C4'-P-C4' energy: -9.796
flat angles P-C4'-P energy: -2.731
tors. eta vs tors. theta energy: -4.395
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: 8
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -115.933964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.933964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.933964 (E_RNA)
where:
Base-Base interactions energy: -56.736
where: short stacking energy: -28.888
Base-Backbone interact. energy: -0.122
local terms energy: -59.076013
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -18.286
flat angles C4'-P-C4' energy: -18.541
flat angles P-C4'-P energy: -5.251
tors. eta vs tors. theta energy: -1.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -229.490868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.490868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.490868 (E_RNA)
where:
Base-Base interactions energy: -145.318
where: short stacking energy: -80.945
Base-Backbone interact. energy: -0.232
local terms energy: -83.941392
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -19.783
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -23.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -186.805173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.805173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.805173 (E_RNA)
where:
Base-Base interactions energy: -111.030
where: short stacking energy: -61.230
Base-Backbone interact. energy: 2.360
local terms energy: -78.134927
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -16.014
flat angles P-C4'-P energy: -13.104
tors. eta vs tors. theta energy: -14.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -182.549571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.549571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.549571 (E_RNA)
where:
Base-Base interactions energy: -121.563
where: short stacking energy: -42.987
Base-Backbone interact. energy: -0.143
local terms energy: -60.843402
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -11.661
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -6.593
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: 5
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -209.322043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.322043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.322043 (E_RNA)
where:
Base-Base interactions energy: -124.647
where: short stacking energy: -64.911
Base-Backbone interact. energy: -0.139
local terms energy: -84.536551
where:
bonds (distance) C4'-P energy: -18.247
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -13.936
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: 10
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -157.986950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.986950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.986950 (E_RNA)
where:
Base-Base interactions energy: -96.446
where: short stacking energy: -46.631
Base-Backbone interact. energy: -0.314
local terms energy: -61.227172
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -17.099
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -7.683
tors. eta vs tors. theta energy: -8.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -144.089505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.089505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.089505 (E_RNA)
where:
Base-Base interactions energy: -77.751
where: short stacking energy: -50.542
Base-Backbone interact. energy: -0.061
local terms energy: -66.277484
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -11.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -109.470664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.470664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.470664 (E_RNA)
where:
Base-Base interactions energy: -47.492
where: short stacking energy: -33.061
Base-Backbone interact. energy: -0.104
local terms energy: -61.874216
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -18.582
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -4.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -113.889877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.889877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.889877 (E_RNA)
where:
Base-Base interactions energy: -59.636
where: short stacking energy: -28.820
Base-Backbone interact. energy: 0.332
local terms energy: -54.585824
where:
bonds (distance) C4'-P energy: -12.408
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -5.143
tors. eta vs tors. theta energy: -3.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -94.628076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.628076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.628076 (E_RNA)
where:
Base-Base interactions energy: -39.021
where: short stacking energy: -39.021
Base-Backbone interact. energy: -0.130
local terms energy: -55.476796
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -5.330
tors. eta vs tors. theta energy: -3.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -88.049515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.049515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.049515 (E_RNA)
where:
Base-Base interactions energy: -32.929
where: short stacking energy: -31.049
Base-Backbone interact. energy: -0.224
local terms energy: -54.895973
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -10.913
flat angles C4'-P-C4' energy: -7.886
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -9.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -232.200861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.200861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.200861 (E_RNA)
where:
Base-Base interactions energy: -147.030
where: short stacking energy: -74.927
Base-Backbone interact. energy: -0.077
local terms energy: -85.093743
where:
bonds (distance) C4'-P energy: -18.073
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -14.637
tors. eta vs tors. theta energy: -20.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -190.998695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.998695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.998695 (E_RNA)
where:
Base-Base interactions energy: -122.150
where: short stacking energy: -55.056
Base-Backbone interact. energy: -0.122
local terms energy: -68.726247
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -12.443
tors. eta vs tors. theta energy: -11.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -179.495492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.495492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.495492 (E_RNA)
where:
Base-Base interactions energy: -102.482
where: short stacking energy: -61.189
Base-Backbone interact. energy: -0.026
local terms energy: -76.987456
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -18.706
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -13.551
tors. eta vs tors. theta energy: -13.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -186.015865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.015865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.015865 (E_RNA)
where:
Base-Base interactions energy: -109.081
where: short stacking energy: -52.992
Base-Backbone interact. energy: -0.186
local terms energy: -76.748865
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -20.631
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -12.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -132.877356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.877356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.877356 (E_RNA)
where:
Base-Base interactions energy: -66.135
where: short stacking energy: -39.497
Base-Backbone interact. energy: -0.140
local terms energy: -66.602239
where:
bonds (distance) C4'-P energy: -18.243
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -10.693
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: 9
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -126.307170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.307170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.307170 (E_RNA)
where:
Base-Base interactions energy: -64.806
where: short stacking energy: -33.487
Base-Backbone interact. energy: -0.353
local terms energy: -61.148594
where:
bonds (distance) C4'-P energy: -19.468
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -7.070
tors. eta vs tors. theta energy: -2.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -158.352638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.352638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.352638 (E_RNA)
where:
Base-Base interactions energy: -95.871
where: short stacking energy: -47.297
Base-Backbone interact. energy: 0.982
local terms energy: -63.463569
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -7.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -94.201604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.201604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.201604 (E_RNA)
where:
Base-Base interactions energy: -36.186
where: short stacking energy: -38.586
Base-Backbone interact. energy: -0.082
local terms energy: -57.934408
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -16.498
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -4.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -140.276083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.276083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.276083 (E_RNA)
where:
Base-Base interactions energy: -94.398
where: short stacking energy: -44.455
Base-Backbone interact. energy: -0.148
local terms energy: -45.730649
where:
bonds (distance) C4'-P energy: -1.434
bonds (distance) P-C4' energy: -17.722
flat angles C4'-P-C4' energy: -19.548
flat angles P-C4'-P energy: -3.638
tors. eta vs tors. theta energy: -3.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -125.766037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.766037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.766037 (E_RNA)
where:
Base-Base interactions energy: -65.968
where: short stacking energy: -31.633
Base-Backbone interact. energy: -0.235
local terms energy: -59.562700
where:
bonds (distance) C4'-P energy: -18.263
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -7.946
tors. eta vs tors. theta energy: -5.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -222.901149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.901149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.901149 (E_RNA)
where:
Base-Base interactions energy: -141.114
where: short stacking energy: -72.679
Base-Backbone interact. energy: -0.080
local terms energy: -81.707042
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -19.461
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -19.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -206.657309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.657309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.657309 (E_RNA)
where:
Base-Base interactions energy: -136.829
where: short stacking energy: -46.079
Base-Backbone interact. energy: -0.009
local terms energy: -69.819378
where:
bonds (distance) C4'-P energy: -18.980
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -18.350
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -6.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -197.502899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.502899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.502899 (E_RNA)
where:
Base-Base interactions energy: -118.498
where: short stacking energy: -65.065
Base-Backbone interact. energy: -0.155
local terms energy: -78.850568
where:
bonds (distance) C4'-P energy: -18.222
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -18.094
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: 3
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -172.987383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.987383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.987383 (E_RNA)
where:
Base-Base interactions energy: -95.903
where: short stacking energy: -63.376
Base-Backbone interact. energy: 0.703
local terms energy: -77.787106
where:
bonds (distance) C4'-P energy: -19.522
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -16.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -172.514354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.514354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.514354 (E_RNA)
where:
Base-Base interactions energy: -105.660
where: short stacking energy: -54.174
Base-Backbone interact. energy: -0.337
local terms energy: -66.517785
where:
bonds (distance) C4'-P energy: -19.443
bonds (distance) P-C4' energy: -10.908
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -9.998
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: 10
Temperature: 1.150000
Total energy: -110.240863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.240863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.240863 (E_RNA)
where:
Base-Base interactions energy: -48.292
where: short stacking energy: -41.378
Base-Backbone interact. energy: -0.602
local terms energy: -61.346794
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -11.067
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -7.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -184.982498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.982498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.982498 (E_RNA)
where:
Base-Base interactions energy: -111.141
where: short stacking energy: -59.511
Base-Backbone interact. energy: -0.063
local terms energy: -73.779091
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -14.163
tors. eta vs tors. theta energy: -15.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -89.840715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.840715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.840715 (E_RNA)
where:
Base-Base interactions energy: -43.253
where: short stacking energy: -20.732
Base-Backbone interact. energy: 0.373
local terms energy: -46.960509
where:
bonds (distance) C4'-P energy: -17.270
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -9.934
flat angles P-C4'-P energy: -3.582
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: 9, replica: 6
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -92.114535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.114535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.114535 (E_RNA)
where:
Base-Base interactions energy: -37.293
where: short stacking energy: -37.293
Base-Backbone interact. energy: -0.109
local terms energy: -54.712031
where:
bonds (distance) C4'-P energy: -8.051
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -8.480
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: -8.043
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: 4
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -83.926922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.926922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.926922 (E_RNA)
where:
Base-Base interactions energy: -23.475
where: short stacking energy: -23.267
Base-Backbone interact. energy: -0.300
local terms energy: -60.152306
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: 0.366
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: 7
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -226.253308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.253308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.253308 (E_RNA)
where:
Base-Base interactions energy: -149.816
where: short stacking energy: -75.901
Base-Backbone interact. energy: -0.131
local terms energy: -76.306443
where:
bonds (distance) C4'-P energy: -16.203
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -18.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -221.205013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.205013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.205013 (E_RNA)
where:
Base-Base interactions energy: -136.378
where: short stacking energy: -57.871
Base-Backbone interact. energy: -0.218
local terms energy: -84.608582
where:
bonds (distance) C4'-P energy: -19.710
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -17.656
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -17.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -184.035106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.035106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.035106 (E_RNA)
where:
Base-Base interactions energy: -111.652
where: short stacking energy: -50.930
Base-Backbone interact. energy: -0.250
local terms energy: -72.133415
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -18.554
flat angles P-C4'-P energy: -5.752
tors. eta vs tors. theta energy: -15.023
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: 4, replica: 9
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -199.995646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.995646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.995646 (E_RNA)
where:
Base-Base interactions energy: -121.724
where: short stacking energy: -66.916
Base-Backbone interact. energy: -0.147
local terms energy: -78.124768
where:
bonds (distance) C4'-P energy: -18.000
bonds (distance) P-C4' energy: -16.746
flat angles C4'-P-C4' energy: -17.964
flat angles P-C4'-P energy: -8.997
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: 5, replica: 3
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -131.886972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.886972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.886972 (E_RNA)
where:
Base-Base interactions energy: -69.450
where: short stacking energy: -41.533
Base-Backbone interact. energy: -0.278
local terms energy: -62.159058
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -15.347
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -5.782
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: 6, replica: 2
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -190.037758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.037758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.037758 (E_RNA)
where:
Base-Base interactions energy: -115.900
where: short stacking energy: -59.505
Base-Backbone interact. energy: -0.384
local terms energy: -73.753899
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -12.536
flat angles C4'-P-C4' energy: -17.807
flat angles P-C4'-P energy: -13.945
tors. eta vs tors. theta energy: -17.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -111.403241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.403241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.403241 (E_RNA)
where:
Base-Base interactions energy: -52.109
where: short stacking energy: -46.725
Base-Backbone interact. energy: -0.710
local terms energy: -58.583520
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -6.426
tors. eta vs tors. theta energy: -3.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -97.581121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.581121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.581121 (E_RNA)
where:
Base-Base interactions energy: -38.330
where: short stacking energy: -33.714
Base-Backbone interact. energy: -0.139
local terms energy: -59.112032
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -18.387
flat angles P-C4'-P energy: -6.286
tors. eta vs tors. theta energy: -4.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -91.524404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.524404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.524404 (E_RNA)
where:
Base-Base interactions energy: -30.295
where: short stacking energy: -30.295
Base-Backbone interact. energy: -0.075
local terms energy: -61.154203
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -16.658
flat angles C4'-P-C4' energy: -11.258
flat angles P-C4'-P energy: -16.087
tors. eta vs tors. theta energy: -5.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -86.726950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.726950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.726950 (E_RNA)
where:
Base-Base interactions energy: -29.954
where: short stacking energy: -24.062
Base-Backbone interact. energy: -0.149
local terms energy: -56.623895
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -6.077
tors. eta vs tors. theta energy: -4.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -212.684733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.684733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.684733 (E_RNA)
where:
Base-Base interactions energy: -143.625
where: short stacking energy: -55.889
Base-Backbone interact. energy: -0.279
local terms energy: -68.780519
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -8.179
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: 2, replica: 7
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -216.633680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.633680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.633680 (E_RNA)
where:
Base-Base interactions energy: -130.446
where: short stacking energy: -72.886
Base-Backbone interact. energy: -0.624
local terms energy: -85.563474
where:
bonds (distance) C4'-P energy: -18.987
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -18.060
flat angles P-C4'-P energy: -13.501
tors. eta vs tors. theta energy: -18.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -216.269516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.269516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.269516 (E_RNA)
where:
Base-Base interactions energy: -133.705
where: short stacking energy: -76.772
Base-Backbone interact. energy: -0.110
local terms energy: -82.454354
where:
bonds (distance) C4'-P energy: -19.104
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -18.488
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -21.099
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: 4, replica: 5
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -182.506743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.506743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.506743 (E_RNA)
where:
Base-Base interactions energy: -108.239
where: short stacking energy: -56.166
Base-Backbone interact. energy: -0.418
local terms energy: -73.849294
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -19.875
flat angles C4'-P-C4' energy: -10.346
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -16.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -197.005199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.005199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.005199 (E_RNA)
where:
Base-Base interactions energy: -120.076
where: short stacking energy: -65.695
Base-Backbone interact. energy: -0.011
local terms energy: -76.918213
where:
bonds (distance) C4'-P energy: -10.407
bonds (distance) P-C4' energy: -14.858
flat angles C4'-P-C4' energy: -19.206
flat angles P-C4'-P energy: -14.837
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: 6, replica: 3
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -114.925214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.925214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.925214 (E_RNA)
where:
Base-Base interactions energy: -49.966
where: short stacking energy: -34.346
Base-Backbone interact. energy: -0.787
local terms energy: -64.172730
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -15.291
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -4.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -155.616285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.616285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.616285 (E_RNA)
where:
Base-Base interactions energy: -96.819
where: short stacking energy: -46.861
Base-Backbone interact. energy: -0.076
local terms energy: -58.721569
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -2.886
tors. eta vs tors. theta energy: -8.407
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: 8, replica: 10
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -99.143083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.143083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.143083 (E_RNA)
where:
Base-Base interactions energy: -42.509
where: short stacking energy: -37.096
Base-Backbone interact. energy: -0.187
local terms energy: -56.447864
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -7.482
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -6.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -86.544220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.544220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.544220 (E_RNA)
where:
Base-Base interactions energy: -30.571
where: short stacking energy: -23.186
Base-Backbone interact. energy: 1.379
local terms energy: -57.351569
where:
bonds (distance) C4'-P energy: -18.575
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -1.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -77.395796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.395796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.395796 (E_RNA)
where:
Base-Base interactions energy: -24.920
where: short stacking energy: -10.687
Base-Backbone interact. energy: -0.078
local terms energy: -52.398099
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -17.817
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: 3.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -215.636876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.636876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.636876 (E_RNA)
where:
Base-Base interactions energy: -138.323
where: short stacking energy: -55.355
Base-Backbone interact. energy: -0.205
local terms energy: -77.108818
where:
bonds (distance) C4'-P energy: -19.005
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -13.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -224.527959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.527959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.527959 (E_RNA)
where:
Base-Base interactions energy: -143.333
where: short stacking energy: -71.950
Base-Backbone interact. energy: -0.019
local terms energy: -81.176047
where:
bonds (distance) C4'-P energy: -9.728
bonds (distance) P-C4' energy: -19.666
flat angles C4'-P-C4' energy: -19.397
flat angles P-C4'-P energy: -10.516
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: 3, replica: 7
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -207.535973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.535973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.535973 (E_RNA)
where:
Base-Base interactions energy: -124.437
where: short stacking energy: -68.811
Base-Backbone interact. energy: -0.098
local terms energy: -83.000791
where:
bonds (distance) C4'-P energy: -19.664
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -12.778
tors. eta vs tors. theta energy: -16.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -207.448383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.448383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.448383 (E_RNA)
where:
Base-Base interactions energy: -129.423
where: short stacking energy: -63.645
Base-Backbone interact. energy: -0.237
local terms energy: -77.788245
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -18.190
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -16.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -173.415380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.415380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.415380 (E_RNA)
where:
Base-Base interactions energy: -104.927
where: short stacking energy: -50.153
Base-Backbone interact. energy: -0.214
local terms energy: -68.274064
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -18.534
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: -9.188
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: 8
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -187.037567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.037567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.037567 (E_RNA)
where:
Base-Base interactions energy: -118.224
where: short stacking energy: -56.219
Base-Backbone interact. energy: 0.593
local terms energy: -69.406626
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -15.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -108.104301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.104301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.104301 (E_RNA)
where:
Base-Base interactions energy: -46.884
where: short stacking energy: -44.626
Base-Backbone interact. energy: -0.131
local terms energy: -61.089739
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -9.322
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: -10.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -126.871849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.871849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.871849 (E_RNA)
where:
Base-Base interactions energy: -67.965
where: short stacking energy: -37.442
Base-Backbone interact. energy: -0.029
local terms energy: -58.877726
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -3.956
tors. eta vs tors. theta energy: -5.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -98.749501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.749501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.749501 (E_RNA)
where:
Base-Base interactions energy: -35.825
where: short stacking energy: -33.226
Base-Backbone interact. energy: -0.153
local terms energy: -62.772275
where:
bonds (distance) C4'-P energy: -18.794
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -12.192
tors. eta vs tors. theta energy: 1.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -94.238272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.238272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.238272 (E_RNA)
where:
Base-Base interactions energy: -37.479
where: short stacking energy: -31.328
Base-Backbone interact. energy: 0.379
local terms energy: -57.137973
where:
bonds (distance) C4'-P energy: -16.905
bonds (distance) P-C4' energy: -17.325
flat angles C4'-P-C4' energy: -17.001
flat angles P-C4'-P energy: -4.273
tors. eta vs tors. theta energy: -1.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -222.992562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.992562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.992562 (E_RNA)
where:
Base-Base interactions energy: -142.763
where: short stacking energy: -49.710
Base-Backbone interact. energy: -0.115
local terms energy: -80.114065
where:
bonds (distance) C4'-P energy: -17.272
bonds (distance) P-C4' energy: -18.856
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -15.422
tors. eta vs tors. theta energy: -14.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -226.046663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.046663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.046663 (E_RNA)
where:
Base-Base interactions energy: -143.871
where: short stacking energy: -83.546
Base-Backbone interact. energy: -0.005
local terms energy: -82.170980
where:
bonds (distance) C4'-P energy: -16.058
bonds (distance) P-C4' energy: -18.364
flat angles C4'-P-C4' energy: -12.492
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -23.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -228.443963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.443963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.443963 (E_RNA)
where:
Base-Base interactions energy: -150.722
where: short stacking energy: -77.108
Base-Backbone interact. energy: -0.156
local terms energy: -77.566082
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -18.166
flat angles C4'-P-C4' energy: -17.416
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -18.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -203.223650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.223650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.223650 (E_RNA)
where:
Base-Base interactions energy: -129.312
where: short stacking energy: -51.200
Base-Backbone interact. energy: -0.039
local terms energy: -73.872436
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -8.991
tors. eta vs tors. theta energy: -19.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -194.943666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.943666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.943666 (E_RNA)
where:
Base-Base interactions energy: -121.657
where: short stacking energy: -44.970
Base-Backbone interact. energy: 0.444
local terms energy: -73.730281
where:
bonds (distance) C4'-P energy: -14.420
bonds (distance) P-C4' energy: -20.017
flat angles C4'-P-C4' energy: -17.679
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -9.952
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: 6, replica: 5
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -139.403645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.403645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.403645 (E_RNA)
where:
Base-Base interactions energy: -76.571
where: short stacking energy: -37.789
Base-Backbone interact. energy: 0.197
local terms energy: -63.029673
where:
bonds (distance) C4'-P energy: -10.442
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -8.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -141.507348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.507348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.507348 (E_RNA)
where:
Base-Base interactions energy: -90.299
where: short stacking energy: -40.224
Base-Backbone interact. energy: -0.390
local terms energy: -50.817771
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -12.572
flat angles C4'-P-C4' energy: -8.949
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -2.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -129.203741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.203741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.203741 (E_RNA)
where:
Base-Base interactions energy: -77.235
where: short stacking energy: -34.260
Base-Backbone interact. energy: -0.429
local terms energy: -51.539947
where:
bonds (distance) C4'-P energy: -18.455
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -12.032
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: 0.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -91.842509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.842509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.842509 (E_RNA)
where:
Base-Base interactions energy: -36.288
where: short stacking energy: -31.939
Base-Backbone interact. energy: -0.214
local terms energy: -55.340009
where:
bonds (distance) C4'-P energy: -10.858
bonds (distance) P-C4' energy: -17.246
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -2.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -83.274933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.274933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.274933 (E_RNA)
where:
Base-Base interactions energy: -34.201
where: short stacking energy: -34.201
Base-Backbone interact. energy: 0.231
local terms energy: -49.304875
where:
bonds (distance) C4'-P energy: -10.468
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -4.851
tors. eta vs tors. theta energy: -5.577
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: 1, replica: 1
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -233.006204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.006204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.006204 (E_RNA)
where:
Base-Base interactions energy: -149.400
where: short stacking energy: -65.600
Base-Backbone interact. energy: 0.561
local terms energy: -84.167230
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -17.005
flat angles P-C4'-P energy: -13.348
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: 2, replica: 9
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -232.410201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.410201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.410201 (E_RNA)
where:
Base-Base interactions energy: -152.496
where: short stacking energy: -67.671
Base-Backbone interact. energy: -0.069
local terms energy: -79.845325
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -15.531
flat angles C4'-P-C4' energy: -17.836
flat angles P-C4'-P energy: -9.471
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: 2
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -223.320025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.320025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.320025 (E_RNA)
where:
Base-Base interactions energy: -148.256
where: short stacking energy: -71.085
Base-Backbone interact. energy: -0.068
local terms energy: -74.996701
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -16.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -211.871327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.871327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.871327 (E_RNA)
where:
Base-Base interactions energy: -139.501
where: short stacking energy: -64.578
Base-Backbone interact. energy: 0.626
local terms energy: -72.996839
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -12.208
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: 5, replica: 7
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -193.138891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.138891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.138891 (E_RNA)
where:
Base-Base interactions energy: -117.150
where: short stacking energy: -67.230
Base-Backbone interact. energy: -0.076
local terms energy: -75.912975
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -19.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -142.517125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.517125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.517125 (E_RNA)
where:
Base-Base interactions energy: -79.028
where: short stacking energy: -40.917
Base-Backbone interact. energy: -0.238
local terms energy: -63.250868
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -11.218
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: 7, replica: 5
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -166.414892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.414892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.414892 (E_RNA)
where:
Base-Base interactions energy: -116.066
where: short stacking energy: -44.277
Base-Backbone interact. energy: 5.302
local terms energy: -55.650730
where:
bonds (distance) C4'-P energy: -11.778
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -6.927
tors. eta vs tors. theta energy: -5.423
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: 3
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -163.014517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.014517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.014517 (E_RNA)
where:
Base-Base interactions energy: -90.394
where: short stacking energy: -49.742
Base-Backbone interact. energy: -0.197
local terms energy: -72.424107
where:
bonds (distance) C4'-P energy: -16.362
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -11.148
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: 6
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -81.594932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.594932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.594932 (E_RNA)
where:
Base-Base interactions energy: -33.319
where: short stacking energy: -33.319
Base-Backbone interact. energy: -0.165
local terms energy: -48.111309
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -8.071
flat angles P-C4'-P energy: -4.080
tors. eta vs tors. theta energy: -1.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -88.804322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.804322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.804322 (E_RNA)
where:
Base-Base interactions energy: -38.687
where: short stacking energy: -24.759
Base-Backbone interact. energy: 2.293
local terms energy: -52.410257
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: 1.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -234.665423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.665423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.665423 (E_RNA)
where:
Base-Base interactions energy: -142.554
where: short stacking energy: -82.782
Base-Backbone interact. energy: -0.104
local terms energy: -92.007291
where:
bonds (distance) C4'-P energy: -17.783
bonds (distance) P-C4' energy: -13.217
flat angles C4'-P-C4' energy: -19.967
flat angles P-C4'-P energy: -15.540
tors. eta vs tors. theta energy: -25.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -225.635782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.635782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.635782 (E_RNA)
where:
Base-Base interactions energy: -146.981
where: short stacking energy: -58.561
Base-Backbone interact. energy: -0.064
local terms energy: -78.591139
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -13.843
tors. eta vs tors. theta energy: -18.655
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: 2
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -225.572844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.572844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.572844 (E_RNA)
where:
Base-Base interactions energy: -152.452
where: short stacking energy: -71.333
Base-Backbone interact. energy: -0.190
local terms energy: -72.930593
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -17.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -213.715025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.715025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.715025 (E_RNA)
where:
Base-Base interactions energy: -132.049
where: short stacking energy: -70.718
Base-Backbone interact. energy: -0.098
local terms energy: -81.567925
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -17.725
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -20.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -183.056730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.056730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.056730 (E_RNA)
where:
Base-Base interactions energy: -116.328
where: short stacking energy: -60.473
Base-Backbone interact. energy: 0.604
local terms energy: -67.332342
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -18.661
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -8.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -151.167348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.167348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.167348 (E_RNA)
where:
Base-Base interactions energy: -91.001
where: short stacking energy: -49.932
Base-Backbone interact. energy: -0.107
local terms energy: -60.059786
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -12.344
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -4.378
tors. eta vs tors. theta energy: -13.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -186.261558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.261558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.261558 (E_RNA)
where:
Base-Base interactions energy: -110.036
where: short stacking energy: -62.188
Base-Backbone interact. energy: -0.116
local terms energy: -76.109282
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -13.364
tors. eta vs tors. theta energy: -15.372
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: 5
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -145.902612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.902612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.902612 (E_RNA)
where:
Base-Base interactions energy: -86.352
where: short stacking energy: -40.197
Base-Backbone interact. energy: 0.504
local terms energy: -60.054618
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: -6.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -130.451726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.451726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.451726 (E_RNA)
where:
Base-Base interactions energy: -79.739
where: short stacking energy: -38.159
Base-Backbone interact. energy: -0.862
local terms energy: -49.851349
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -11.419
flat angles P-C4'-P energy: -5.391
tors. eta vs tors. theta energy: -4.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -91.751400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.751400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.751400 (E_RNA)
where:
Base-Base interactions energy: -42.990
where: short stacking energy: -27.253
Base-Backbone interact. energy: -0.132
local terms energy: -48.629675
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -11.732
flat angles P-C4'-P energy: -3.693
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: 9
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -222.532228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.532228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.532228 (E_RNA)
where:
Base-Base interactions energy: -128.088
where: short stacking energy: -76.374
Base-Backbone interact. energy: -0.005
local terms energy: -94.439741
where:
bonds (distance) C4'-P energy: -17.605
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -19.399
flat angles P-C4'-P energy: -15.125
tors. eta vs tors. theta energy: -25.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -217.393829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.393829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.393829 (E_RNA)
where:
Base-Base interactions energy: -128.527
where: short stacking energy: -72.114
Base-Backbone interact. energy: -0.037
local terms energy: -88.830245
where:
bonds (distance) C4'-P energy: -18.786
bonds (distance) P-C4' energy: -18.301
flat angles C4'-P-C4' energy: -17.453
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -22.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -202.419426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.419426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.419426 (E_RNA)
where:
Base-Base interactions energy: -127.816
where: short stacking energy: -52.414
Base-Backbone interact. energy: -0.614
local terms energy: -73.989039
where:
bonds (distance) C4'-P energy: -17.171
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -6.685
tors. eta vs tors. theta energy: -18.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -218.962959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.962959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.962959 (E_RNA)
where:
Base-Base interactions energy: -150.426
where: short stacking energy: -54.947
Base-Backbone interact. energy: -0.657
local terms energy: -67.880287
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -6.632
tors. eta vs tors. theta energy: -16.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -209.843166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.843166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.843166 (E_RNA)
where:
Base-Base interactions energy: -126.100
where: short stacking energy: -74.994
Base-Backbone interact. energy: -0.042
local terms energy: -83.701260
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -20.116
flat angles C4'-P-C4' energy: -16.038
flat angles P-C4'-P energy: -11.574
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: 6, replica: 4
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -167.261925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.261925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.261925 (E_RNA)
where:
Base-Base interactions energy: -94.283
where: short stacking energy: -43.827
Base-Backbone interact. energy: -0.186
local terms energy: -72.793445
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -14.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -158.769931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.769931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.769931 (E_RNA)
where:
Base-Base interactions energy: -87.966
where: short stacking energy: -45.625
Base-Backbone interact. energy: -0.027
local terms energy: -70.776965
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -10.853
flat angles C4'-P-C4' energy: -18.990
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -13.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -158.679004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.679004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.679004 (E_RNA)
where:
Base-Base interactions energy: -101.889
where: short stacking energy: -33.774
Base-Backbone interact. energy: -0.211
local terms energy: -56.579593
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -9.870
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -8.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -96.322237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.322237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.322237 (E_RNA)
where:
Base-Base interactions energy: -37.296
where: short stacking energy: -37.296
Base-Backbone interact. energy: -0.028
local terms energy: -58.998162
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -16.062
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -1.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -120.479846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.479846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.479846 (E_RNA)
where:
Base-Base interactions energy: -63.037
where: short stacking energy: -33.343
Base-Backbone interact. energy: 1.518
local terms energy: -58.961413
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -2.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -224.043912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.043912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.043912 (E_RNA)
where:
Base-Base interactions energy: -137.499
where: short stacking energy: -67.352
Base-Backbone interact. energy: -0.369
local terms energy: -86.175886
where:
bonds (distance) C4'-P energy: -18.393
bonds (distance) P-C4' energy: -20.265
flat angles C4'-P-C4' energy: -18.152
flat angles P-C4'-P energy: -12.795
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: 2, replica: 9
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -215.434071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.434071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.434071 (E_RNA)
where:
Base-Base interactions energy: -137.201
where: short stacking energy: -77.899
Base-Backbone interact. energy: -0.189
local terms energy: -78.044207
where:
bonds (distance) C4'-P energy: -18.374
bonds (distance) P-C4' energy: -14.552
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -20.125
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: 8
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -220.990285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.990285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.990285 (E_RNA)
where:
Base-Base interactions energy: -148.518
where: short stacking energy: -63.140
Base-Backbone interact. energy: 0.708
local terms energy: -73.179817
where:
bonds (distance) C4'-P energy: -18.873
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -19.060
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: -14.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -205.484465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.484465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.484465 (E_RNA)
where:
Base-Base interactions energy: -134.334
where: short stacking energy: -61.970
Base-Backbone interact. energy: -0.402
local terms energy: -70.748907
where:
bonds (distance) C4'-P energy: -20.081
bonds (distance) P-C4' energy: -13.366
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -13.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -189.622267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.622267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.622267 (E_RNA)
where:
Base-Base interactions energy: -125.256
where: short stacking energy: -59.171
Base-Backbone interact. energy: -0.250
local terms energy: -64.116454
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -11.553
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -12.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -177.653670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.653670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.653670 (E_RNA)
where:
Base-Base interactions energy: -106.463
where: short stacking energy: -66.040
Base-Backbone interact. energy: -0.032
local terms energy: -71.158564
where:
bonds (distance) C4'-P energy: -14.825
bonds (distance) P-C4' energy: -15.859
flat angles C4'-P-C4' energy: -17.285
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -14.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -162.633845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.633845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.633845 (E_RNA)
where:
Base-Base interactions energy: -97.052
where: short stacking energy: -57.019
Base-Backbone interact. energy: -0.274
local terms energy: -65.308172
where:
bonds (distance) C4'-P energy: -18.599
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -10.646
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -9.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -150.011981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.011981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.011981 (E_RNA)
where:
Base-Base interactions energy: -85.330
where: short stacking energy: -51.709
Base-Backbone interact. energy: 0.324
local terms energy: -65.005751
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -18.794
flat angles C4'-P-C4' energy: -11.491
flat angles P-C4'-P energy: -12.566
tors. eta vs tors. theta energy: -9.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -146.230876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.230876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.230876 (E_RNA)
where:
Base-Base interactions energy: -87.429
where: short stacking energy: -34.946
Base-Backbone interact. energy: 1.000
local terms energy: -59.801818
where:
bonds (distance) C4'-P energy: -14.771
bonds (distance) P-C4' energy: -17.584
flat angles C4'-P-C4' energy: -13.401
flat angles P-C4'-P energy: -10.317
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: 5
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -88.322689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.322689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.322689 (E_RNA)
where:
Base-Base interactions energy: -32.728
where: short stacking energy: -36.046
Base-Backbone interact. energy: -0.266
local terms energy: -55.328867
where:
bonds (distance) C4'-P energy: -16.778
bonds (distance) P-C4' energy: -13.862
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -6.437
tors. eta vs tors. theta energy: -3.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -221.044116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.044116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.044116 (E_RNA)
where:
Base-Base interactions energy: -139.600
where: short stacking energy: -68.191
Base-Backbone interact. energy: 3.261
local terms energy: -84.705053
where:
bonds (distance) C4'-P energy: -17.937
bonds (distance) P-C4' energy: -20.190
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: -17.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -230.046161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.046161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.046161 (E_RNA)
where:
Base-Base interactions energy: -148.442
where: short stacking energy: -66.413
Base-Backbone interact. energy: 1.338
local terms energy: -82.942390
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -20.208
flat angles C4'-P-C4' energy: -19.117
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -15.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -207.501886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.501886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.501886 (E_RNA)
where:
Base-Base interactions energy: -133.303
where: short stacking energy: -69.088
Base-Backbone interact. energy: -0.188
local terms energy: -74.011447
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -11.031
flat angles P-C4'-P energy: -9.757
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: 4
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -204.878955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.878955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.878955 (E_RNA)
where:
Base-Base interactions energy: -123.748
where: short stacking energy: -65.061
Base-Backbone interact. energy: -0.526
local terms energy: -80.604829
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -21.483
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -17.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -191.658202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.658202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.658202 (E_RNA)
where:
Base-Base interactions energy: -124.669
where: short stacking energy: -49.834
Base-Backbone interact. energy: -0.006
local terms energy: -66.982937
where:
bonds (distance) C4'-P energy: -18.499
bonds (distance) P-C4' energy: -13.774
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -12.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -172.923294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.923294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.923294 (E_RNA)
where:
Base-Base interactions energy: -102.199
where: short stacking energy: -50.762
Base-Backbone interact. energy: -0.099
local terms energy: -70.625250
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -17.255
flat angles P-C4'-P energy: -8.340
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: 7, replica: 10
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -139.633740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.633740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.633740 (E_RNA)
where:
Base-Base interactions energy: -77.969
where: short stacking energy: -51.441
Base-Backbone interact. energy: 0.946
local terms energy: -62.610740
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -8.288
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: 8, replica: 6
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -138.116712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.116712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.116712 (E_RNA)
where:
Base-Base interactions energy: -77.746
where: short stacking energy: -31.276
Base-Backbone interact. energy: -0.473
local terms energy: -59.897233
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -20.623
flat angles C4'-P-C4' energy: -11.261
flat angles P-C4'-P energy: -9.754
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: 9, replica: 3
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -100.504413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.504413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.504413 (E_RNA)
where:
Base-Base interactions energy: -54.166
where: short stacking energy: -31.489
Base-Backbone interact. energy: -0.296
local terms energy: -46.042520
where:
bonds (distance) C4'-P energy: -17.241
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -9.542
flat angles P-C4'-P energy: -4.975
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: 10, replica: 5
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -85.638108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.638108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.638108 (E_RNA)
where:
Base-Base interactions energy: -35.382
where: short stacking energy: -28.035
Base-Backbone interact. energy: -0.199
local terms energy: -50.057238
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -11.672
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -2.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -238.766717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.766717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.766717 (E_RNA)
where:
Base-Base interactions energy: -157.147
where: short stacking energy: -69.857
Base-Backbone interact. energy: -0.103
local terms energy: -81.516478
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -17.698
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -12.416
tors. eta vs tors. theta energy: -18.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -214.475625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.475625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.475625 (E_RNA)
where:
Base-Base interactions energy: -129.812
where: short stacking energy: -74.423
Base-Backbone interact. energy: -0.046
local terms energy: -84.617760
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -17.424
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -23.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -203.417911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.417911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.417911 (E_RNA)
where:
Base-Base interactions energy: -121.279
where: short stacking energy: -61.887
Base-Backbone interact. energy: -0.276
local terms energy: -81.862315
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -21.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -204.802204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.802204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.802204 (E_RNA)
where:
Base-Base interactions energy: -136.079
where: short stacking energy: -66.356
Base-Backbone interact. energy: -0.479
local terms energy: -68.244950
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -7.093
tors. eta vs tors. theta energy: -12.789
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: 1
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -202.348762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.348762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.348762 (E_RNA)
where:
Base-Base interactions energy: -131.450
where: short stacking energy: -64.063
Base-Backbone interact. energy: -0.083
local terms energy: -70.815973
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -13.152
flat angles C4'-P-C4' energy: -17.660
flat angles P-C4'-P energy: -10.894
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: 6, replica: 7
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -166.386648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.386648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.386648 (E_RNA)
where:
Base-Base interactions energy: -102.117
where: short stacking energy: -57.144
Base-Backbone interact. energy: -0.005
local terms energy: -64.264416
where:
bonds (distance) C4'-P energy: -9.544
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -11.470
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: 7, replica: 6
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -176.869945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.869945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.869945 (E_RNA)
where:
Base-Base interactions energy: -104.675
where: short stacking energy: -62.122
Base-Backbone interact. energy: -0.326
local terms energy: -71.869227
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -16.580
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: 8, replica: 10
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -121.056754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.056754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.056754 (E_RNA)
where:
Base-Base interactions energy: -46.138
where: short stacking energy: -46.138
Base-Backbone interact. energy: -0.100
local terms energy: -74.819004
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -17.959
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -14.892
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: 5
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -86.848142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.848142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.848142 (E_RNA)
where:
Base-Base interactions energy: -31.820
where: short stacking energy: -25.785
Base-Backbone interact. energy: -0.736
local terms energy: -54.292793
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -5.536
tors. eta vs tors. theta energy: -2.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -79.023482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.023482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.023482 (E_RNA)
where:
Base-Base interactions energy: -26.533
where: short stacking energy: -23.409
Base-Backbone interact. energy: -0.070
local terms energy: -52.421185
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -15.580
flat angles C4'-P-C4' energy: -10.994
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -0.166
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: 8
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -237.032521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.032521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.032521 (E_RNA)
where:
Base-Base interactions energy: -162.847
where: short stacking energy: -65.777
Base-Backbone interact. energy: -0.053
local terms energy: -74.133222
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -12.019
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -17.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -237.253301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.253301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.253301 (E_RNA)
where:
Base-Base interactions energy: -151.838
where: short stacking energy: -75.724
Base-Backbone interact. energy: -0.104
local terms energy: -85.311450
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -19.866
flat angles P-C4'-P energy: -13.613
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: 3, replica: 2
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -217.778980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.778980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.778980 (E_RNA)
where:
Base-Base interactions energy: -132.509
where: short stacking energy: -67.589
Base-Backbone interact. energy: -0.049
local terms energy: -85.220973
where:
bonds (distance) C4'-P energy: -17.269
bonds (distance) P-C4' energy: -17.994
flat angles C4'-P-C4' energy: -18.303
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -22.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -209.016123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.016123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.016123 (E_RNA)
where:
Base-Base interactions energy: -136.285
where: short stacking energy: -73.055
Base-Backbone interact. energy: -0.025
local terms energy: -72.706684
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -17.637
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -16.846
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: 9
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -199.390068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.390068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.390068 (E_RNA)
where:
Base-Base interactions energy: -127.651
where: short stacking energy: -53.878
Base-Backbone interact. energy: -0.281
local terms energy: -71.458220
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -10.345
flat angles C4'-P-C4' energy: -18.285
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -14.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -175.322108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.322108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.322108 (E_RNA)
where:
Base-Base interactions energy: -103.793
where: short stacking energy: -48.430
Base-Backbone interact. energy: -0.093
local terms energy: -71.435894
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -18.088
flat angles C4'-P-C4' energy: -11.714
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -14.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -151.199472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.199472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.199472 (E_RNA)
where:
Base-Base interactions energy: -87.680
where: short stacking energy: -44.575
Base-Backbone interact. energy: -0.091
local terms energy: -63.428980
where:
bonds (distance) C4'-P energy: -17.117
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -6.490
tors. eta vs tors. theta energy: -6.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -90.596220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.596220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.596220 (E_RNA)
where:
Base-Base interactions energy: -30.665
where: short stacking energy: -30.665
Base-Backbone interact. energy: -0.162
local terms energy: -59.768986
where:
bonds (distance) C4'-P energy: -16.699
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: 0.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -110.171331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.171331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.171331 (E_RNA)
where:
Base-Base interactions energy: -44.173
where: short stacking energy: -44.173
Base-Backbone interact. energy: -0.027
local terms energy: -65.970950
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -9.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -100.149476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.149476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.149476 (E_RNA)
where:
Base-Base interactions energy: -50.263
where: short stacking energy: -35.878
Base-Backbone interact. energy: -0.060
local terms energy: -49.826452
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -10.891
flat angles P-C4'-P energy: -7.074
tors. eta vs tors. theta energy: -6.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -234.637558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.637558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.637558 (E_RNA)
where:
Base-Base interactions energy: -162.615
where: short stacking energy: -64.183
Base-Backbone interact. energy: 0.717
local terms energy: -72.738829
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -15.092
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: 4
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -231.024429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.024429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.024429 (E_RNA)
where:
Base-Base interactions energy: -146.216
where: short stacking energy: -76.987
Base-Backbone interact. energy: -0.255
local terms energy: -84.553809
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -20.585
flat angles C4'-P-C4' energy: -17.951
flat angles P-C4'-P energy: -7.961
tors. eta vs tors. theta energy: -20.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -221.789914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.789914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.789914 (E_RNA)
where:
Base-Base interactions energy: -137.353
where: short stacking energy: -74.321
Base-Backbone interact. energy: -0.015
local terms energy: -84.422139
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -19.613
flat angles C4'-P-C4' energy: -19.732
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -20.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -207.989690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.989690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.989690 (E_RNA)
where:
Base-Base interactions energy: -132.885
where: short stacking energy: -73.209
Base-Backbone interact. energy: -0.108
local terms energy: -74.996649
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -13.892
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -18.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -210.658592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.658592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.658592 (E_RNA)
where:
Base-Base interactions energy: -132.105
where: short stacking energy: -67.493
Base-Backbone interact. energy: -0.067
local terms energy: -78.486110
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -9.602
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: 6, replica: 7
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -171.378467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.378467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.378467 (E_RNA)
where:
Base-Base interactions energy: -104.763
where: short stacking energy: -49.142
Base-Backbone interact. energy: -0.129
local terms energy: -66.486345
where:
bonds (distance) C4'-P energy: -18.546
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -8.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -170.836251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.836251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.836251 (E_RNA)
where:
Base-Base interactions energy: -108.136
where: short stacking energy: -52.409
Base-Backbone interact. energy: -0.062
local terms energy: -62.637719
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -16.753
flat angles C4'-P-C4' energy: -12.378
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -9.016
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: 5
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -95.586224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.586224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.586224 (E_RNA)
where:
Base-Base interactions energy: -33.327
where: short stacking energy: -33.327
Base-Backbone interact. energy: -0.172
local terms energy: -62.086989
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -11.212
flat angles P-C4'-P energy: -12.983
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: 9, replica: 3
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -93.603946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.603946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.603946 (E_RNA)
where:
Base-Base interactions energy: -35.531
where: short stacking energy: -35.731
Base-Backbone interact. energy: -0.145
local terms energy: -57.928251
where:
bonds (distance) C4'-P energy: -5.581
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -17.558
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -8.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -96.234083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.234083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.234083 (E_RNA)
where:
Base-Base interactions energy: -47.110
where: short stacking energy: -42.358
Base-Backbone interact. energy: 1.807
local terms energy: -50.931312
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -12.519
flat angles C4'-P-C4' energy: -12.334
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -5.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -224.313422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.313422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.313422 (E_RNA)
where:
Base-Base interactions energy: -156.708
where: short stacking energy: -67.248
Base-Backbone interact. energy: -0.331
local terms energy: -67.274848
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -10.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -222.033842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.033842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.033842 (E_RNA)
where:
Base-Base interactions energy: -140.960
where: short stacking energy: -65.582
Base-Backbone interact. energy: -0.004
local terms energy: -81.070332
where:
bonds (distance) C4'-P energy: -18.226
bonds (distance) P-C4' energy: -14.996
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -21.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -221.363888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.363888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.363888 (E_RNA)
where:
Base-Base interactions energy: -139.474
where: short stacking energy: -65.424
Base-Backbone interact. energy: -0.508
local terms energy: -81.382322
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -20.581
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -19.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -212.967920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.967920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.967920 (E_RNA)
where:
Base-Base interactions energy: -138.273
where: short stacking energy: -70.973
Base-Backbone interact. energy: -0.426
local terms energy: -74.268320
where:
bonds (distance) C4'-P energy: -19.737
bonds (distance) P-C4' energy: -16.772
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -7.471
tors. eta vs tors. theta energy: -15.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -205.571107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.571107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.571107 (E_RNA)
where:
Base-Base interactions energy: -119.715
where: short stacking energy: -65.882
Base-Backbone interact. energy: -0.055
local terms energy: -85.801812
where:
bonds (distance) C4'-P energy: -18.582
bonds (distance) P-C4' energy: -19.753
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -7.965
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: 6
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -211.484755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.484755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.484755 (E_RNA)
where:
Base-Base interactions energy: -136.929
where: short stacking energy: -63.350
Base-Backbone interact. energy: -0.110
local terms energy: -74.445580
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -17.930
flat angles C4'-P-C4' energy: -17.700
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: -14.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -162.859618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.859618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.859618 (E_RNA)
where:
Base-Base interactions energy: -103.149
where: short stacking energy: -50.672
Base-Backbone interact. energy: -0.383
local terms energy: -59.327834
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -11.408
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -6.447
tors. eta vs tors. theta energy: -11.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -110.515750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.515750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.515750 (E_RNA)
where:
Base-Base interactions energy: -51.969
where: short stacking energy: -45.073
Base-Backbone interact. energy: -0.109
local terms energy: -58.437827
where:
bonds (distance) C4'-P energy: -9.349
bonds (distance) P-C4' energy: -13.488
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -7.438
tors. eta vs tors. theta energy: -14.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -100.566634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.566634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.566634 (E_RNA)
where:
Base-Base interactions energy: -48.668
where: short stacking energy: -28.697
Base-Backbone interact. energy: -0.122
local terms energy: -51.776214
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -17.346
flat angles C4'-P-C4' energy: -10.309
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: 0.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -89.765355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.765355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.765355 (E_RNA)
where:
Base-Base interactions energy: -32.824
where: short stacking energy: -13.644
Base-Backbone interact. energy: 0.288
local terms energy: -57.229869
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -13.974
tors. eta vs tors. theta energy: -1.395
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: 1, replica: 8
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -227.323542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.323542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.323542 (E_RNA)
where:
Base-Base interactions energy: -149.385
where: short stacking energy: -59.604
Base-Backbone interact. energy: -0.198
local terms energy: -77.741215
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -18.716
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: -12.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -218.205652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.205652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.205652 (E_RNA)
where:
Base-Base interactions energy: -142.815
where: short stacking energy: -73.720
Base-Backbone interact. energy: 1.003
local terms energy: -76.393360
where:
bonds (distance) C4'-P energy: -17.548
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -17.851
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -15.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -219.735283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.735283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.735283 (E_RNA)
where:
Base-Base interactions energy: -147.432
where: short stacking energy: -68.688
Base-Backbone interact. energy: -0.117
local terms energy: -72.186301
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -6.777
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: 9
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -211.097032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.097032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.097032 (E_RNA)
where:
Base-Base interactions energy: -132.738
where: short stacking energy: -60.007
Base-Backbone interact. energy: -0.584
local terms energy: -77.775193
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -18.830
flat angles P-C4'-P energy: -11.819
tors. eta vs tors. theta energy: -13.585
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: 6
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -202.518178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.518178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.518178 (E_RNA)
where:
Base-Base interactions energy: -130.582
where: short stacking energy: -60.513
Base-Backbone interact. energy: -0.105
local terms energy: -71.831170
where:
bonds (distance) C4'-P energy: -16.039
bonds (distance) P-C4' energy: -18.503
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -11.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -185.999659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.999659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.999659 (E_RNA)
where:
Base-Base interactions energy: -112.295
where: short stacking energy: -58.818
Base-Backbone interact. energy: -1.013
local terms energy: -72.692364
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -15.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -133.548143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.548143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.548143 (E_RNA)
where:
Base-Base interactions energy: -70.111
where: short stacking energy: -37.106
Base-Backbone interact. energy: -0.275
local terms energy: -63.161690
where:
bonds (distance) C4'-P energy: -13.529
bonds (distance) P-C4' energy: -20.101
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -5.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -166.944987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.944987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.944987 (E_RNA)
where:
Base-Base interactions energy: -105.397
where: short stacking energy: -52.643
Base-Backbone interact. energy: -0.122
local terms energy: -61.426144
where:
bonds (distance) C4'-P energy: -7.784
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -12.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -103.147286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.147286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.147286 (E_RNA)
where:
Base-Base interactions energy: -51.307
where: short stacking energy: -38.072
Base-Backbone interact. energy: -0.119
local terms energy: -51.721856
where:
bonds (distance) C4'-P energy: -9.406
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -4.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -98.426250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.426250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.426250 (E_RNA)
where:
Base-Base interactions energy: -37.449
where: short stacking energy: -37.449
Base-Backbone interact. energy: -0.101
local terms energy: -60.875457
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -3.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -224.479578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.479578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.479578 (E_RNA)
where:
Base-Base interactions energy: -148.346
where: short stacking energy: -57.570
Base-Backbone interact. energy: -0.227
local terms energy: -75.907283
where:
bonds (distance) C4'-P energy: -18.160
bonds (distance) P-C4' energy: -19.908
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -11.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -230.443676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.443676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.443676 (E_RNA)
where:
Base-Base interactions energy: -148.898
where: short stacking energy: -70.678
Base-Backbone interact. energy: 0.264
local terms energy: -81.809377
where:
bonds (distance) C4'-P energy: -16.631
bonds (distance) P-C4' energy: -18.775
flat angles C4'-P-C4' energy: -18.170
flat angles P-C4'-P energy: -7.476
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: 3, replica: 1
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -223.482036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.482036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.482036 (E_RNA)
where:
Base-Base interactions energy: -145.770
where: short stacking energy: -72.913
Base-Backbone interact. energy: -0.081
local terms energy: -77.630299
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -19.619
flat angles C4'-P-C4' energy: -17.788
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -17.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -210.195214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.195214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.195214 (E_RNA)
where:
Base-Base interactions energy: -140.089
where: short stacking energy: -62.340
Base-Backbone interact. energy: -0.075
local terms energy: -70.030822
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -6.652
tors. eta vs tors. theta energy: -14.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -211.665602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.665602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.665602 (E_RNA)
where:
Base-Base interactions energy: -130.462
where: short stacking energy: -61.561
Base-Backbone interact. energy: -0.042
local terms energy: -81.161044
where:
bonds (distance) C4'-P energy: -19.262
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -19.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -192.285534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.285534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.285534 (E_RNA)
where:
Base-Base interactions energy: -114.577
where: short stacking energy: -62.921
Base-Backbone interact. energy: -0.264
local terms energy: -77.444614
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -17.831
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -17.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -171.883878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.883878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.883878 (E_RNA)
where:
Base-Base interactions energy: -111.409
where: short stacking energy: -46.123
Base-Backbone interact. energy: -0.572
local terms energy: -59.902600
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -12.431
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -9.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -168.876789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.876789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.876789 (E_RNA)
where:
Base-Base interactions energy: -95.665
where: short stacking energy: -46.151
Base-Backbone interact. energy: -0.353
local terms energy: -72.858664
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -18.533
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -9.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -94.841418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.841418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.841418 (E_RNA)
where:
Base-Base interactions energy: -37.932
where: short stacking energy: -33.836
Base-Backbone interact. energy: -0.385
local terms energy: -56.524043
where:
bonds (distance) C4'-P energy: -16.364
bonds (distance) P-C4' energy: -15.990
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -1.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -83.214122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.214122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.214122 (E_RNA)
where:
Base-Base interactions energy: -35.699
where: short stacking energy: -33.165
Base-Backbone interact. energy: -0.489
local terms energy: -47.025269
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -6.380
tors. eta vs tors. theta energy: -0.340
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: 4
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -240.828953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.828953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.828953 (E_RNA)
where:
Base-Base interactions energy: -158.227
where: short stacking energy: -76.803
Base-Backbone interact. energy: -0.115
local terms energy: -82.486692
where:
bonds (distance) C4'-P energy: -20.429
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -17.490
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: -18.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -222.068483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.068483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.068483 (E_RNA)
where:
Base-Base interactions energy: -146.017
where: short stacking energy: -69.115
Base-Backbone interact. energy: -0.205
local terms energy: -75.846911
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -19.044
flat angles C4'-P-C4' energy: -16.952
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -15.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -227.335482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.335482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.335482 (E_RNA)
where:
Base-Base interactions energy: -146.789
where: short stacking energy: -72.688
Base-Backbone interact. energy: -0.089
local terms energy: -80.457314
where:
bonds (distance) C4'-P energy: -19.786
bonds (distance) P-C4' energy: -17.994
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -18.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -211.687814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.687814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.687814 (E_RNA)
where:
Base-Base interactions energy: -146.731
where: short stacking energy: -62.007
Base-Backbone interact. energy: 0.107
local terms energy: -65.063778
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -19.803
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -6.634
tors. eta vs tors. theta energy: -10.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -209.691475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.691475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.691475 (E_RNA)
where:
Base-Base interactions energy: -132.534
where: short stacking energy: -68.093
Base-Backbone interact. energy: 0.507
local terms energy: -77.664961
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -20.662
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -7.252
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: 6, replica: 2
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -207.634050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.634050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.634050 (E_RNA)
where:
Base-Base interactions energy: -133.089
where: short stacking energy: -67.709
Base-Backbone interact. energy: -0.117
local terms energy: -74.428343
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -18.207
flat angles C4'-P-C4' energy: -16.825
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -14.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -164.321355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.321355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.321355 (E_RNA)
where:
Base-Base interactions energy: -90.637
where: short stacking energy: -41.180
Base-Backbone interact. energy: -0.377
local terms energy: -73.307391
where:
bonds (distance) C4'-P energy: -17.993
bonds (distance) P-C4' energy: -18.590
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -9.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -167.665583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.665583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.665583 (E_RNA)
where:
Base-Base interactions energy: -104.857
where: short stacking energy: -47.757
Base-Backbone interact. energy: -0.473
local terms energy: -62.336271
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: -8.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -95.247970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.247970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.247970 (E_RNA)
where:
Base-Base interactions energy: -34.791
where: short stacking energy: -34.791
Base-Backbone interact. energy: 0.455
local terms energy: -60.912092
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -6.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -87.232178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.232178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.232178 (E_RNA)
where:
Base-Base interactions energy: -32.463
where: short stacking energy: -24.950
Base-Backbone interact. energy: -0.105
local terms energy: -54.663812
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -6.642
tors. eta vs tors. theta energy: -5.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -240.536469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.536469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.536469 (E_RNA)
where:
Base-Base interactions energy: -160.743
where: short stacking energy: -80.571
Base-Backbone interact. energy: -0.102
local terms energy: -79.692036
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -16.792
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: -21.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -220.824318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.824318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.824318 (E_RNA)
where:
Base-Base interactions energy: -152.511
where: short stacking energy: -65.782
Base-Backbone interact. energy: -0.117
local terms energy: -68.196141
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -16.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -241.754425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.754425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.754425 (E_RNA)
where:
Base-Base interactions energy: -156.765
where: short stacking energy: -83.130
Base-Backbone interact. energy: -0.071
local terms energy: -84.918516
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -18.774
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -23.874
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: 9
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -202.140623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.140623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.140623 (E_RNA)
where:
Base-Base interactions energy: -131.428
where: short stacking energy: -55.269
Base-Backbone interact. energy: -0.175
local terms energy: -70.538045
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -13.024
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: 6
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -207.765352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.765352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.765352 (E_RNA)
where:
Base-Base interactions energy: -140.588
where: short stacking energy: -64.906
Base-Backbone interact. energy: -0.455
local terms energy: -66.722646
where:
bonds (distance) C4'-P energy: -16.964
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -5.320
tors. eta vs tors. theta energy: -11.759
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: 7
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -182.832579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.832579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.832579 (E_RNA)
where:
Base-Base interactions energy: -108.608
where: short stacking energy: -59.565
Base-Backbone interact. energy: -0.173
local terms energy: -74.051513
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -19.541
flat angles P-C4'-P energy: -13.827
tors. eta vs tors. theta energy: -13.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -196.258413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.258413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.258413 (E_RNA)
where:
Base-Base interactions energy: -125.645
where: short stacking energy: -67.014
Base-Backbone interact. energy: 2.005
local terms energy: -72.618076
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -15.743
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -17.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -187.392983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.392983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.392983 (E_RNA)
where:
Base-Base interactions energy: -120.956
where: short stacking energy: -44.293
Base-Backbone interact. energy: -0.111
local terms energy: -66.325744
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -17.776
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -5.079
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: 9, replica: 10
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -98.277705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.277705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.277705 (E_RNA)
where:
Base-Base interactions energy: -34.516
where: short stacking energy: -34.516
Base-Backbone interact. energy: -0.113
local terms energy: -63.648354
where:
bonds (distance) C4'-P energy: -8.204
bonds (distance) P-C4' energy: -17.968
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -10.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -81.535407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.535407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.535407 (E_RNA)
where:
Base-Base interactions energy: -19.979
where: short stacking energy: -17.571
Base-Backbone interact. energy: -0.342
local terms energy: -61.214045
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -18.065
flat angles P-C4'-P energy: -11.439
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: 8
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -231.156961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.156961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.156961 (E_RNA)
where:
Base-Base interactions energy: -155.523
where: short stacking energy: -69.743
Base-Backbone interact. energy: -0.104
local terms energy: -75.530127
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -14.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -229.059776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.059776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.059776 (E_RNA)
where:
Base-Base interactions energy: -151.609
where: short stacking energy: -68.800
Base-Backbone interact. energy: -0.199
local terms energy: -77.251026
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -12.866
flat angles C4'-P-C4' energy: -16.979
flat angles P-C4'-P energy: -9.464
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: 1
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -222.381818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.381818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.381818 (E_RNA)
where:
Base-Base interactions energy: -144.192
where: short stacking energy: -65.214
Base-Backbone interact. energy: -0.107
local terms energy: -78.083156
where:
bonds (distance) C4'-P energy: -19.112
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -7.270
tors. eta vs tors. theta energy: -18.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -204.791676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.791676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.791676 (E_RNA)
where:
Base-Base interactions energy: -126.909
where: short stacking energy: -68.205
Base-Backbone interact. energy: -0.070
local terms energy: -77.812075
where:
bonds (distance) C4'-P energy: -15.474
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -18.626
flat angles P-C4'-P energy: -8.060
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: 28
Temperature: 1.100000
Total energy: -190.459326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.459326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.459326 (E_RNA)
where:
Base-Base interactions energy: -115.179
where: short stacking energy: -67.920
Base-Backbone interact. energy: 0.446
local terms energy: -75.726890
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -19.619
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -14.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -184.464531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.464531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.464531 (E_RNA)
where:
Base-Base interactions energy: -121.132
where: short stacking energy: -55.917
Base-Backbone interact. energy: -0.854
local terms energy: -62.478691
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -21.150
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -1.958
tors. eta vs tors. theta energy: -9.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -177.840726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.840726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.840726 (E_RNA)
where:
Base-Base interactions energy: -104.398
where: short stacking energy: -57.459
Base-Backbone interact. energy: -0.629
local terms energy: -72.813573
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -18.672
flat angles P-C4'-P energy: -7.780
tors. eta vs tors. theta energy: -13.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -185.469379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.469379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.469379 (E_RNA)
where:
Base-Base interactions energy: -112.554
where: short stacking energy: -52.556
Base-Backbone interact. energy: -0.087
local terms energy: -72.828460
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -16.687
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -12.216
tors. eta vs tors. theta energy: -11.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -100.751278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.751278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.751278 (E_RNA)
where:
Base-Base interactions energy: -45.252
where: short stacking energy: -45.252
Base-Backbone interact. energy: -0.058
local terms energy: -55.441706
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -6.502
tors. eta vs tors. theta energy: -7.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -95.325775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.325775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.325775 (E_RNA)
where:
Base-Base interactions energy: -39.625
where: short stacking energy: -36.814
Base-Backbone interact. energy: -0.213
local terms energy: -55.488136
where:
bonds (distance) C4'-P energy: -17.672
bonds (distance) P-C4' energy: -12.897
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -4.770
tors. eta vs tors. theta energy: -5.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -242.719171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.719171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.719171 (E_RNA)
where:
Base-Base interactions energy: -164.591
where: short stacking energy: -69.257
Base-Backbone interact. energy: 0.654
local terms energy: -78.782361
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -13.125
tors. eta vs tors. theta energy: -15.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -224.656277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.656277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.656277 (E_RNA)
where:
Base-Base interactions energy: -144.971
where: short stacking energy: -70.699
Base-Backbone interact. energy: -0.124
local terms energy: -79.560974
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -7.326
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: 3, replica: 4
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -226.089323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.089323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.089323 (E_RNA)
where:
Base-Base interactions energy: -143.139
where: short stacking energy: -72.348
Base-Backbone interact. energy: -0.092
local terms energy: -82.858261
where:
bonds (distance) C4'-P energy: -17.621
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -13.714
tors. eta vs tors. theta energy: -17.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -204.377253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.377253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.377253 (E_RNA)
where:
Base-Base interactions energy: -130.972
where: short stacking energy: -69.313
Base-Backbone interact. energy: 1.399
local terms energy: -74.804409
where:
bonds (distance) C4'-P energy: -12.473
bonds (distance) P-C4' energy: -20.060
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: -13.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -203.769239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.769239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.769239 (E_RNA)
where:
Base-Base interactions energy: -126.805
where: short stacking energy: -61.823
Base-Backbone interact. energy: -0.187
local terms energy: -76.776974
where:
bonds (distance) C4'-P energy: -18.449
bonds (distance) P-C4' energy: -16.735
flat angles C4'-P-C4' energy: -20.080
flat angles P-C4'-P energy: -6.170
tors. eta vs tors. theta energy: -15.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -175.445807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.445807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.445807 (E_RNA)
where:
Base-Base interactions energy: -93.350
where: short stacking energy: -59.891
Base-Backbone interact. energy: -0.104
local terms energy: -81.991674
where:
bonds (distance) C4'-P energy: -17.631
bonds (distance) P-C4' energy: -18.932
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -13.132
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: 7, replica: 3
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -183.095464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.095464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.095464 (E_RNA)
where:
Base-Base interactions energy: -122.940
where: short stacking energy: -63.753
Base-Backbone interact. energy: -0.409
local terms energy: -59.746946
where:
bonds (distance) C4'-P energy: -16.623
bonds (distance) P-C4' energy: -10.089
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -6.070
tors. eta vs tors. theta energy: -10.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -129.440961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.440961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.440961 (E_RNA)
where:
Base-Base interactions energy: -72.099
where: short stacking energy: -41.628
Base-Backbone interact. energy: -0.057
local terms energy: -57.284727
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -6.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -94.937479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.937479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.937479 (E_RNA)
where:
Base-Base interactions energy: -39.105
where: short stacking energy: -37.276
Base-Backbone interact. energy: -0.012
local terms energy: -55.821148
where:
bonds (distance) C4'-P energy: -10.522
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -12.302
flat angles P-C4'-P energy: -13.123
tors. eta vs tors. theta energy: -2.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -81.884312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.884312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.884312 (E_RNA)
where:
Base-Base interactions energy: -34.300
where: short stacking energy: -30.816
Base-Backbone interact. energy: -1.582
local terms energy: -46.002168
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -12.991
flat angles C4'-P-C4' energy: -9.764
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -0.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -246.847258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.847258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.847258 (E_RNA)
where:
Base-Base interactions energy: -170.378
where: short stacking energy: -71.086
Base-Backbone interact. energy: 0.456
local terms energy: -76.926018
where:
bonds (distance) C4'-P energy: -16.411
bonds (distance) P-C4' energy: -18.586
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -16.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -233.807734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.807734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.807734 (E_RNA)
where:
Base-Base interactions energy: -151.709
where: short stacking energy: -77.819
Base-Backbone interact. energy: -0.105
local terms energy: -81.993375
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -21.131
flat angles C4'-P-C4' energy: -18.193
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -18.941
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: 4
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -229.003703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.003703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.003703 (E_RNA)
where:
Base-Base interactions energy: -144.944
where: short stacking energy: -79.637
Base-Backbone interact. energy: -0.128
local terms energy: -83.931785
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -20.549
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -9.758
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: 4, replica: 7
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -216.382202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.382202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.382202 (E_RNA)
where:
Base-Base interactions energy: -136.862
where: short stacking energy: -77.687
Base-Backbone interact. energy: -0.105
local terms energy: -79.415880
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -15.515
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -21.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -199.154515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.154515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.154515 (E_RNA)
where:
Base-Base interactions energy: -122.352
where: short stacking energy: -64.969
Base-Backbone interact. energy: 0.794
local terms energy: -77.596223
where:
bonds (distance) C4'-P energy: -17.675
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -18.611
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: 9
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -179.563585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.563585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.563585 (E_RNA)
where:
Base-Base interactions energy: -107.056
where: short stacking energy: -59.221
Base-Backbone interact. energy: -0.225
local terms energy: -72.282350
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -17.217
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -7.778
tors. eta vs tors. theta energy: -14.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -203.357115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.357115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.357115 (E_RNA)
where:
Base-Base interactions energy: -136.779
where: short stacking energy: -65.355
Base-Backbone interact. energy: 0.680
local terms energy: -67.258009
where:
bonds (distance) C4'-P energy: -9.445
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -13.947
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: 2
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -87.103164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.103164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.103164 (E_RNA)
where:
Base-Base interactions energy: -37.134
where: short stacking energy: -30.779
Base-Backbone interact. energy: 0.145
local terms energy: -50.114159
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -17.582
flat angles C4'-P-C4' energy: -8.479
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: 1.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -115.007218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.007218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.007218 (E_RNA)
where:
Base-Base interactions energy: -55.030
where: short stacking energy: -30.461
Base-Backbone interact. energy: 0.993
local terms energy: -60.970161
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -13.373
flat angles P-C4'-P energy: -11.852
tors. eta vs tors. theta energy: -1.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -82.312988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.312988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.312988 (E_RNA)
where:
Base-Base interactions energy: -24.536
where: short stacking energy: -22.539
Base-Backbone interact. energy: -0.023
local terms energy: -57.753415
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -3.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -238.057244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.057244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.057244 (E_RNA)
where:
Base-Base interactions energy: -160.234
where: short stacking energy: -67.782
Base-Backbone interact. energy: 0.306
local terms energy: -78.129525
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -19.700
flat angles C4'-P-C4' energy: -11.072
flat angles P-C4'-P energy: -12.609
tors. eta vs tors. theta energy: -19.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -228.465352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.465352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.465352 (E_RNA)
where:
Base-Base interactions energy: -141.102
where: short stacking energy: -78.370
Base-Backbone interact. energy: -0.012
local terms energy: -87.351207
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -19.514
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -13.247
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: 31
Temperature: 1.000000
Total energy: -228.520234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.520234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.520234 (E_RNA)
where:
Base-Base interactions energy: -150.633
where: short stacking energy: -73.113
Base-Backbone interact. energy: -0.074
local terms energy: -77.813452
where:
bonds (distance) C4'-P energy: -12.804
bonds (distance) P-C4' energy: -16.539
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -18.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -211.007923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.007923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.007923 (E_RNA)
where:
Base-Base interactions energy: -140.013
where: short stacking energy: -76.944
Base-Backbone interact. energy: -0.016
local terms energy: -70.978855
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -11.158
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -23.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -203.283932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.283932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.283932 (E_RNA)
where:
Base-Base interactions energy: -125.266
where: short stacking energy: -61.696
Base-Backbone interact. energy: -0.061
local terms energy: -77.956982
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -12.120
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: 6, replica: 9
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -173.502155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.502155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.502155 (E_RNA)
where:
Base-Base interactions energy: -100.134
where: short stacking energy: -46.865
Base-Backbone interact. energy: -0.084
local terms energy: -73.284013
where:
bonds (distance) C4'-P energy: -11.489
bonds (distance) P-C4' energy: -19.384
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -13.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -191.177312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.177312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.177312 (E_RNA)
where:
Base-Base interactions energy: -121.294
where: short stacking energy: -56.803
Base-Backbone interact. energy: -0.080
local terms energy: -69.803284
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -9.320
flat angles C4'-P-C4' energy: -18.305
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -18.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -117.838686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.838686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.838686 (E_RNA)
where:
Base-Base interactions energy: -55.372
where: short stacking energy: -52.608
Base-Backbone interact. energy: -0.031
local terms energy: -62.435168
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -16.725
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -9.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -109.794906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.794906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.794906 (E_RNA)
where:
Base-Base interactions energy: -39.998
where: short stacking energy: -39.539
Base-Backbone interact. energy: -0.276
local terms energy: -69.520524
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -19.536
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -12.178
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: 10, replica: 5
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -87.701046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.701046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.701046 (E_RNA)
where:
Base-Base interactions energy: -33.869
where: short stacking energy: -33.869
Base-Backbone interact. energy: -0.197
local terms energy: -53.634927
where:
bonds (distance) C4'-P energy: -17.155
bonds (distance) P-C4' energy: -12.160
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -6.382
tors. eta vs tors. theta energy: -5.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -241.001568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.001568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.001568 (E_RNA)
where:
Base-Base interactions energy: -158.705
where: short stacking energy: -70.026
Base-Backbone interact. energy: -0.179
local terms energy: -82.117264
where:
bonds (distance) C4'-P energy: -16.045
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -17.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -216.529249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.529249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.529249 (E_RNA)
where:
Base-Base interactions energy: -134.959
where: short stacking energy: -64.320
Base-Backbone interact. energy: -0.160
local terms energy: -81.409563
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -19.249
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: -19.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -224.165383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.165383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.165383 (E_RNA)
where:
Base-Base interactions energy: -142.032
where: short stacking energy: -77.089
Base-Backbone interact. energy: -0.209
local terms energy: -81.924777
where:
bonds (distance) C4'-P energy: -15.703
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -18.991
flat angles P-C4'-P energy: -8.381
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: 1
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -209.533198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.533198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.533198 (E_RNA)
where:
Base-Base interactions energy: -143.115
where: short stacking energy: -61.928
Base-Backbone interact. energy: -0.297
local terms energy: -66.121182
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -4.802
tors. eta vs tors. theta energy: -12.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -190.995622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.995622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.995622 (E_RNA)
where:
Base-Base interactions energy: -115.170
where: short stacking energy: -57.362
Base-Backbone interact. energy: -0.049
local terms energy: -75.776680
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -13.674
flat angles C4'-P-C4' energy: -17.374
flat angles P-C4'-P energy: -13.415
tors. eta vs tors. theta energy: -18.431
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: 9
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -145.252214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.252214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.252214 (E_RNA)
where:
Base-Base interactions energy: -76.565
where: short stacking energy: -40.486
Base-Backbone interact. energy: -0.078
local terms energy: -68.609082
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -18.050
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -13.308
tors. eta vs tors. theta energy: -8.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -193.453606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.453606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.453606 (E_RNA)
where:
Base-Base interactions energy: -115.167
where: short stacking energy: -67.983
Base-Backbone interact. energy: -0.339
local terms energy: -77.948553
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -21.304
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: 10
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -103.059702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.059702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.059702 (E_RNA)
where:
Base-Base interactions energy: -40.413
where: short stacking energy: -34.033
Base-Backbone interact. energy: -0.274
local terms energy: -62.372314
where:
bonds (distance) C4'-P energy: -18.127
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -8.379
tors. eta vs tors. theta energy: -8.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -91.760940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.760940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.760940 (E_RNA)
where:
Base-Base interactions energy: -35.027
where: short stacking energy: -35.027
Base-Backbone interact. energy: -0.120
local terms energy: -56.614427
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -18.816
flat angles C4'-P-C4' energy: -10.598
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -3.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -94.978134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.978134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.978134 (E_RNA)
where:
Base-Base interactions energy: -34.820
where: short stacking energy: -30.577
Base-Backbone interact. energy: 0.619
local terms energy: -60.776859
where:
bonds (distance) C4'-P energy: -12.556
bonds (distance) P-C4' energy: -16.609
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -6.849
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: 8
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -251.676909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.676909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.676909 (E_RNA)
where:
Base-Base interactions energy: -172.899
where: short stacking energy: -68.004
Base-Backbone interact. energy: -0.102
local terms energy: -78.675253
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -19.381
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -11.093
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: 2, replica: 6
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -236.054862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.054862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.054862 (E_RNA)
where:
Base-Base interactions energy: -152.064
where: short stacking energy: -77.638
Base-Backbone interact. energy: -0.731
local terms energy: -83.260364
where:
bonds (distance) C4'-P energy: -17.523
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -16.828
flat angles P-C4'-P energy: -13.711
tors. eta vs tors. theta energy: -20.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -211.677227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.677227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.677227 (E_RNA)
where:
Base-Base interactions energy: -126.022
where: short stacking energy: -70.519
Base-Backbone interact. energy: -0.067
local terms energy: -85.588620
where:
bonds (distance) C4'-P energy: -17.941
bonds (distance) P-C4' energy: -18.543
flat angles C4'-P-C4' energy: -19.298
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -20.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -211.071879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.071879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.071879 (E_RNA)
where:
Base-Base interactions energy: -129.866
where: short stacking energy: -67.226
Base-Backbone interact. energy: -0.021
local terms energy: -81.184834
where:
bonds (distance) C4'-P energy: -15.976
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -20.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -180.590292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.590292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.590292 (E_RNA)
where:
Base-Base interactions energy: -115.927
where: short stacking energy: -54.446
Base-Backbone interact. energy: -0.396
local terms energy: -64.266983
where:
bonds (distance) C4'-P energy: -10.975
bonds (distance) P-C4' energy: -17.028
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: -12.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -202.275002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.275002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.275002 (E_RNA)
where:
Base-Base interactions energy: -120.687
where: short stacking energy: -56.154
Base-Backbone interact. energy: -0.111
local terms energy: -81.476766
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -15.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -163.307118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.307118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.307118 (E_RNA)
where:
Base-Base interactions energy: -101.145
where: short stacking energy: -42.265
Base-Backbone interact. energy: -0.345
local terms energy: -61.816762
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -20.370
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -8.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -93.459819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.459819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.459819 (E_RNA)
where:
Base-Base interactions energy: -31.788
where: short stacking energy: -27.893
Base-Backbone interact. energy: -0.314
local terms energy: -61.357853
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -4.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -95.127274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.127274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.127274 (E_RNA)
where:
Base-Base interactions energy: -49.282
where: short stacking energy: -37.948
Base-Backbone interact. energy: -0.144
local terms energy: -45.701401
where:
bonds (distance) C4'-P energy: -10.407
bonds (distance) P-C4' energy: -18.037
flat angles C4'-P-C4' energy: -12.058
flat angles P-C4'-P energy: -6.187
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: 10, replica: 2
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -88.201920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.201920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.201920 (E_RNA)
where:
Base-Base interactions energy: -30.572
where: short stacking energy: -27.716
Base-Backbone interact. energy: -0.751
local terms energy: -56.879212
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -12.943
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -1.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -240.254989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.254989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.254989 (E_RNA)
where:
Base-Base interactions energy: -164.496
where: short stacking energy: -69.864
Base-Backbone interact. energy: -0.213
local terms energy: -75.546540
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -18.278
flat angles P-C4'-P energy: -10.677
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: 2, replica: 6
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -231.051867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.051867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.051867 (E_RNA)
where:
Base-Base interactions energy: -142.779
where: short stacking energy: -78.566
Base-Backbone interact. energy: -0.105
local terms energy: -88.167578
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -18.574
flat angles P-C4'-P energy: -13.391
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: 3, replica: 1
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -213.658731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.658731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.658731 (E_RNA)
where:
Base-Base interactions energy: -130.077
where: short stacking energy: -70.921
Base-Backbone interact. energy: -0.007
local terms energy: -83.574432
where:
bonds (distance) C4'-P energy: -20.028
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -20.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -213.940195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.940195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.940195 (E_RNA)
where:
Base-Base interactions energy: -130.231
where: short stacking energy: -75.734
Base-Backbone interact. energy: -0.170
local terms energy: -83.538315
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -12.434
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: 5, replica: 3
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -194.234220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.234220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.234220 (E_RNA)
where:
Base-Base interactions energy: -116.157
where: short stacking energy: -55.531
Base-Backbone interact. energy: -0.016
local terms energy: -78.061308
where:
bonds (distance) C4'-P energy: -13.252
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -19.292
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -19.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -172.493690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.493690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.493690 (E_RNA)
where:
Base-Base interactions energy: -107.609
where: short stacking energy: -61.954
Base-Backbone interact. energy: 0.174
local terms energy: -65.058699
where:
bonds (distance) C4'-P energy: -8.961
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -18.243
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -13.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -169.336803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.336803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.336803 (E_RNA)
where:
Base-Base interactions energy: -105.267
where: short stacking energy: -52.089
Base-Backbone interact. energy: -0.205
local terms energy: -63.865185
where:
bonds (distance) C4'-P energy: -10.866
bonds (distance) P-C4' energy: -18.859
flat angles C4'-P-C4' energy: -10.378
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -11.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -133.216152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.216152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.216152 (E_RNA)
where:
Base-Base interactions energy: -71.984
where: short stacking energy: -35.754
Base-Backbone interact. energy: -0.242
local terms energy: -60.990445
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -18.204
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -4.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -95.705445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.705445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.705445 (E_RNA)
where:
Base-Base interactions energy: -39.702
where: short stacking energy: -27.787
Base-Backbone interact. energy: -0.313
local terms energy: -55.690481
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -10.934
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -15.883
tors. eta vs tors. theta energy: -2.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -86.115841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.115841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.115841 (E_RNA)
where:
Base-Base interactions energy: -30.022
where: short stacking energy: -21.989
Base-Backbone interact. energy: -0.245
local terms energy: -55.849319
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -7.587
tors. eta vs tors. theta energy: 0.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -223.791678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.791678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.791678 (E_RNA)
where:
Base-Base interactions energy: -136.745
where: short stacking energy: -75.617
Base-Backbone interact. energy: -0.009
local terms energy: -87.038002
where:
bonds (distance) C4'-P energy: -17.599
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -19.618
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -21.589
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: 6
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -234.981257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.981257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.981257 (E_RNA)
where:
Base-Base interactions energy: -142.877
where: short stacking energy: -78.599
Base-Backbone interact. energy: 0.082
local terms energy: -92.186397
where:
bonds (distance) C4'-P energy: -18.536
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -19.066
flat angles P-C4'-P energy: -13.478
tors. eta vs tors. theta energy: -23.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -210.958100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.958100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.958100 (E_RNA)
where:
Base-Base interactions energy: -128.458
where: short stacking energy: -57.134
Base-Backbone interact. energy: -0.300
local terms energy: -82.200100
where:
bonds (distance) C4'-P energy: -17.260
bonds (distance) P-C4' energy: -18.434
flat angles C4'-P-C4' energy: -19.715
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -14.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -213.263810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.263810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.263810 (E_RNA)
where:
Base-Base interactions energy: -134.538
where: short stacking energy: -68.388
Base-Backbone interact. energy: -0.147
local terms energy: -78.578743
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -18.791
flat angles C4'-P-C4' energy: -11.495
flat angles P-C4'-P energy: -13.980
tors. eta vs tors. theta energy: -18.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -205.106795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.106795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.106795 (E_RNA)
where:
Base-Base interactions energy: -128.723
where: short stacking energy: -60.841
Base-Backbone interact. energy: -0.670
local terms energy: -75.713066
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -17.655
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -12.723
tors. eta vs tors. theta energy: -13.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -169.703637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.703637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.703637 (E_RNA)
where:
Base-Base interactions energy: -110.619
where: short stacking energy: -58.906
Base-Backbone interact. energy: -0.018
local terms energy: -59.066568
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -10.952
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -8.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -152.309581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.309581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.309581 (E_RNA)
where:
Base-Base interactions energy: -84.537
where: short stacking energy: -41.147
Base-Backbone interact. energy: -0.245
local terms energy: -67.527600
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -18.127
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -9.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -146.273466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.273466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.273466 (E_RNA)
where:
Base-Base interactions energy: -90.497
where: short stacking energy: -50.077
Base-Backbone interact. energy: -0.347
local terms energy: -55.429444
where:
bonds (distance) C4'-P energy: -7.816
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -7.910
tors. eta vs tors. theta energy: -11.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -99.547914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.547914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.547914 (E_RNA)
where:
Base-Base interactions energy: -37.925
where: short stacking energy: -34.323
Base-Backbone interact. energy: -0.285
local terms energy: -61.338300
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -17.195
flat angles P-C4'-P energy: -5.162
tors. eta vs tors. theta energy: -7.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -83.911862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.911862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.911862 (E_RNA)
where:
Base-Base interactions energy: -36.649
where: short stacking energy: -32.637
Base-Backbone interact. energy: -0.186
local terms energy: -47.077192
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -4.312
tors. eta vs tors. theta energy: 0.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -230.712808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.712808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.712808 (E_RNA)
where:
Base-Base interactions energy: -138.886
where: short stacking energy: -74.399
Base-Backbone interact. energy: -0.037
local terms energy: -91.790002
where:
bonds (distance) C4'-P energy: -19.559
bonds (distance) P-C4' energy: -18.784
flat angles C4'-P-C4' energy: -19.310
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -23.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -216.185123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.185123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.185123 (E_RNA)
where:
Base-Base interactions energy: -137.474
where: short stacking energy: -75.587
Base-Backbone interact. energy: -0.247
local terms energy: -78.463641
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -14.752
tors. eta vs tors. theta energy: -17.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -217.117011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.117011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.117011 (E_RNA)
where:
Base-Base interactions energy: -138.582
where: short stacking energy: -72.096
Base-Backbone interact. energy: -0.334
local terms energy: -78.200974
where:
bonds (distance) C4'-P energy: -17.704
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -17.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -207.705971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.705971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.705971 (E_RNA)
where:
Base-Base interactions energy: -126.746
where: short stacking energy: -64.456
Base-Backbone interact. energy: -0.742
local terms energy: -80.217808
where:
bonds (distance) C4'-P energy: -19.271
bonds (distance) P-C4' energy: -16.151
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -16.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -205.676279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.676279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.676279 (E_RNA)
where:
Base-Base interactions energy: -137.678
where: short stacking energy: -68.212
Base-Backbone interact. energy: -0.225
local terms energy: -67.772291
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -12.397
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -11.329
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: 3
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -195.773313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.773313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.773313 (E_RNA)
where:
Base-Base interactions energy: -126.027
where: short stacking energy: -58.568
Base-Backbone interact. energy: -0.089
local terms energy: -69.656744
where:
bonds (distance) C4'-P energy: -17.840
bonds (distance) P-C4' energy: -16.591
flat angles C4'-P-C4' energy: -12.345
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -12.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -171.197724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.197724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.197724 (E_RNA)
where:
Base-Base interactions energy: -103.518
where: short stacking energy: -57.870
Base-Backbone interact. energy: -0.074
local terms energy: -67.605522
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -17.736
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -3.624
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: 7
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -163.498832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.498832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.498832 (E_RNA)
where:
Base-Base interactions energy: -101.718
where: short stacking energy: -43.935
Base-Backbone interact. energy: -0.243
local terms energy: -61.537312
where:
bonds (distance) C4'-P energy: -12.875
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -8.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -101.180833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.180833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.180833 (E_RNA)
where:
Base-Base interactions energy: -41.150
where: short stacking energy: -39.048
Base-Backbone interact. energy: -0.042
local terms energy: -59.988560
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -6.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -88.224728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.224728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.224728 (E_RNA)
where:
Base-Base interactions energy: -37.616
where: short stacking energy: -33.121
Base-Backbone interact. energy: -0.235
local terms energy: -50.373785
where:
bonds (distance) C4'-P energy: -9.980
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -7.137
tors. eta vs tors. theta energy: -1.926
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: 6
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -227.434645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.434645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.434645 (E_RNA)
where:
Base-Base interactions energy: -141.234
where: short stacking energy: -71.037
Base-Backbone interact. energy: -0.251
local terms energy: -85.950204
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -18.321
flat angles P-C4'-P energy: -13.639
tors. eta vs tors. theta energy: -19.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -216.314032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.314032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.314032 (E_RNA)
where:
Base-Base interactions energy: -136.347
where: short stacking energy: -77.061
Base-Backbone interact. energy: -0.107
local terms energy: -79.860342
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -14.583
tors. eta vs tors. theta energy: -18.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -227.534268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.534268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.534268 (E_RNA)
where:
Base-Base interactions energy: -140.258
where: short stacking energy: -84.561
Base-Backbone interact. energy: -0.436
local terms energy: -86.840048
where:
bonds (distance) C4'-P energy: -18.045
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -18.770
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -21.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -213.023773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.023773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.023773 (E_RNA)
where:
Base-Base interactions energy: -129.322
where: short stacking energy: -68.232
Base-Backbone interact. energy: -0.284
local terms energy: -83.417057
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -18.835
flat angles P-C4'-P energy: -14.208
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: 5, replica: 4
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -195.609414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.609414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.609414 (E_RNA)
where:
Base-Base interactions energy: -108.157
where: short stacking energy: -60.242
Base-Backbone interact. energy: 0.186
local terms energy: -87.639070
where:
bonds (distance) C4'-P energy: -19.961
bonds (distance) P-C4' energy: -20.920
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -19.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -160.851033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.851033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.851033 (E_RNA)
where:
Base-Base interactions energy: -98.155
where: short stacking energy: -50.392
Base-Backbone interact. energy: -0.272
local terms energy: -62.424037
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -18.582
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -10.831
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: 7, replica: 3
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -159.751750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.751750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.751750 (E_RNA)
where:
Base-Base interactions energy: -93.466
where: short stacking energy: -41.778
Base-Backbone interact. energy: -0.572
local terms energy: -65.714386
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -11.754
flat angles C4'-P-C4' energy: -18.526
flat angles P-C4'-P energy: -14.012
tors. eta vs tors. theta energy: -8.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -157.396741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.396741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.396741 (E_RNA)
where:
Base-Base interactions energy: -94.552
where: short stacking energy: -46.122
Base-Backbone interact. energy: -0.116
local terms energy: -62.729167
where:
bonds (distance) C4'-P energy: -12.021
bonds (distance) P-C4' energy: -16.648
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -11.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -87.329952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.329952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.329952 (E_RNA)
where:
Base-Base interactions energy: -28.201
where: short stacking energy: -28.092
Base-Backbone interact. energy: 1.270
local terms energy: -60.398896
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -18.196
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -1.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -101.288377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.288377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.288377 (E_RNA)
where:
Base-Base interactions energy: -37.362
where: short stacking energy: -37.362
Base-Backbone interact. energy: -0.263
local terms energy: -63.663281
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -14.402
tors. eta vs tors. theta energy: -1.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -242.430807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.430807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.430807 (E_RNA)
where:
Base-Base interactions energy: -161.843
where: short stacking energy: -76.849
Base-Backbone interact. energy: 0.321
local terms energy: -80.908692
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -17.697
flat angles C4'-P-C4' energy: -17.825
flat angles P-C4'-P energy: -9.657
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: 1
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -216.548354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.548354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.548354 (E_RNA)
where:
Base-Base interactions energy: -130.863
where: short stacking energy: -70.812
Base-Backbone interact. energy: -0.369
local terms energy: -85.315792
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -19.212
flat angles P-C4'-P energy: -13.360
tors. eta vs tors. theta energy: -19.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -225.720705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.720705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.720705 (E_RNA)
where:
Base-Base interactions energy: -136.380
where: short stacking energy: -73.308
Base-Backbone interact. energy: -0.964
local terms energy: -88.376103
where:
bonds (distance) C4'-P energy: -18.868
bonds (distance) P-C4' energy: -17.557
flat angles C4'-P-C4' energy: -18.490
flat angles P-C4'-P energy: -11.821
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: 4, replica: 9
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -203.010530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.010530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.010530 (E_RNA)
where:
Base-Base interactions energy: -127.099
where: short stacking energy: -66.340
Base-Backbone interact. energy: -0.148
local terms energy: -75.763324
where:
bonds (distance) C4'-P energy: -10.220
bonds (distance) P-C4' energy: -19.715
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -12.266
tors. eta vs tors. theta energy: -15.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -164.408909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.408909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.408909 (E_RNA)
where:
Base-Base interactions energy: -91.978
where: short stacking energy: -55.534
Base-Backbone interact. energy: -0.315
local terms energy: -72.116662
where:
bonds (distance) C4'-P energy: -14.353
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -19.232
flat angles P-C4'-P energy: -10.422
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: 6, replica: 4
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -200.071208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.071208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.071208 (E_RNA)
where:
Base-Base interactions energy: -139.935
where: short stacking energy: -58.455
Base-Backbone interact. energy: -0.333
local terms energy: -59.803770
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: -7.425
tors. eta vs tors. theta energy: -11.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -173.545330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.545330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.545330 (E_RNA)
where:
Base-Base interactions energy: -106.028
where: short stacking energy: -55.936
Base-Backbone interact. energy: -0.111
local terms energy: -67.406344
where:
bonds (distance) C4'-P energy: -10.674
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -13.007
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: 8, replica: 3
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -153.676040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.676040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.676040 (E_RNA)
where:
Base-Base interactions energy: -81.125
where: short stacking energy: -54.018
Base-Backbone interact. energy: -0.485
local terms energy: -72.066698
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -13.682
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -15.132
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: 2
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -100.153340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.153340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.153340 (E_RNA)
where:
Base-Base interactions energy: -47.641
where: short stacking energy: -30.289
Base-Backbone interact. energy: -0.592
local terms energy: -51.920243
where:
bonds (distance) C4'-P energy: -11.889
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -5.186
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: 10, replica: 10
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -84.246265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.246265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.246265 (E_RNA)
where:
Base-Base interactions energy: -40.637
where: short stacking energy: -36.671
Base-Backbone interact. energy: 1.015
local terms energy: -44.624495
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -11.255
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -2.994
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: 1, replica: 6
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -236.291790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.291790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.291790 (E_RNA)
where:
Base-Base interactions energy: -154.767
where: short stacking energy: -78.947
Base-Backbone interact. energy: 1.238
local terms energy: -82.763206
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -18.968
flat angles C4'-P-C4' energy: -17.537
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -19.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -212.489065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.489065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.489065 (E_RNA)
where:
Base-Base interactions energy: -126.690
where: short stacking energy: -70.048
Base-Backbone interact. energy: 0.009
local terms energy: -85.807917
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -19.196
flat angles C4'-P-C4' energy: -19.500
flat angles P-C4'-P energy: -13.345
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: 3, replica: 1
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -220.352880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.352880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.352880 (E_RNA)
where:
Base-Base interactions energy: -144.893
where: short stacking energy: -75.169
Base-Backbone interact. energy: -0.056
local terms energy: -75.403071
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -18.842
flat angles P-C4'-P energy: -15.599
tors. eta vs tors. theta energy: -15.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -208.886898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.886898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.886898 (E_RNA)
where:
Base-Base interactions energy: -129.991
where: short stacking energy: -64.926
Base-Backbone interact. energy: -0.582
local terms energy: -78.313952
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -17.142
flat angles P-C4'-P energy: -12.896
tors. eta vs tors. theta energy: -15.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -165.145975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.145975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.145975 (E_RNA)
where:
Base-Base interactions energy: -96.565
where: short stacking energy: -55.110
Base-Backbone interact. energy: -0.012
local terms energy: -68.568864
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -9.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -172.892837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.892837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.892837 (E_RNA)
where:
Base-Base interactions energy: -104.801
where: short stacking energy: -59.283
Base-Backbone interact. energy: -0.108
local terms energy: -67.984325
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -16.885
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -15.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -176.151497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.151497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.151497 (E_RNA)
where:
Base-Base interactions energy: -108.628
where: short stacking energy: -38.786
Base-Backbone interact. energy: -0.554
local terms energy: -66.969317
where:
bonds (distance) C4'-P energy: -16.849
bonds (distance) P-C4' energy: -17.521
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -5.086
tors. eta vs tors. theta energy: -11.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -145.586203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.586203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.586203 (E_RNA)
where:
Base-Base interactions energy: -84.874
where: short stacking energy: -40.828
Base-Backbone interact. energy: -0.765
local terms energy: -59.946625
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -11.570
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: 2
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -93.474875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.474875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.474875 (E_RNA)
where:
Base-Base interactions energy: -32.941
where: short stacking energy: -32.941
Base-Backbone interact. energy: -0.493
local terms energy: -60.040253
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -5.046
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: 10
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -93.147585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.147585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.147585 (E_RNA)
where:
Base-Base interactions energy: -42.256
where: short stacking energy: -35.716
Base-Backbone interact. energy: -0.156
local terms energy: -50.735199
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -15.407
flat angles C4'-P-C4' energy: -11.392
flat angles P-C4'-P energy: -7.778
tors. eta vs tors. theta energy: -1.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -231.316543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.316543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.316543 (E_RNA)
where:
Base-Base interactions energy: -141.345
where: short stacking energy: -70.859
Base-Backbone interact. energy: -0.287
local terms energy: -89.684876
where:
bonds (distance) C4'-P energy: -18.603
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -19.919
flat angles P-C4'-P energy: -13.227
tors. eta vs tors. theta energy: -18.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -220.800161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.800161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.800161 (E_RNA)
where:
Base-Base interactions energy: -144.921
where: short stacking energy: -63.450
Base-Backbone interact. energy: -0.539
local terms energy: -75.340430
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -9.106
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: 3, replica: 1
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -222.409514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.409514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.409514 (E_RNA)
where:
Base-Base interactions energy: -143.076
where: short stacking energy: -71.193
Base-Backbone interact. energy: -0.097
local terms energy: -79.236488
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -19.024
flat angles C4'-P-C4' energy: -18.533
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -18.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -216.055992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.055992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.055992 (E_RNA)
where:
Base-Base interactions energy: -142.696
where: short stacking energy: -65.854
Base-Backbone interact. energy: -0.083
local terms energy: -73.277778
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -15.472
tors. eta vs tors. theta energy: -10.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -178.134594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.134594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.134594 (E_RNA)
where:
Base-Base interactions energy: -108.589
where: short stacking energy: -57.717
Base-Backbone interact. energy: -0.221
local terms energy: -69.324335
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -18.932
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -8.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -186.047465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.047465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.047465 (E_RNA)
where:
Base-Base interactions energy: -115.673
where: short stacking energy: -63.348
Base-Backbone interact. energy: -0.094
local terms energy: -70.280407
where:
bonds (distance) C4'-P energy: -14.241
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -17.983
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -13.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -190.701371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.701371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.701371 (E_RNA)
where:
Base-Base interactions energy: -118.606
where: short stacking energy: -60.754
Base-Backbone interact. energy: -0.083
local terms energy: -72.012577
where:
bonds (distance) C4'-P energy: -17.037
bonds (distance) P-C4' energy: -11.042
flat angles C4'-P-C4' energy: -19.970
flat angles P-C4'-P energy: -7.141
tors. eta vs tors. theta energy: -16.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -149.000221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.000221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.000221 (E_RNA)
where:
Base-Base interactions energy: -87.470
where: short stacking energy: -39.171
Base-Backbone interact. energy: 0.645
local terms energy: -62.175648
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -19.639
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -1.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -85.916797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.916797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.916797 (E_RNA)
where:
Base-Base interactions energy: -28.057
where: short stacking energy: -22.912
Base-Backbone interact. energy: -0.215
local terms energy: -57.644381
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -6.567
tors. eta vs tors. theta energy: -4.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -86.042183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.042183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.042183 (E_RNA)
where:
Base-Base interactions energy: -30.130
where: short stacking energy: -30.130
Base-Backbone interact. energy: -0.217
local terms energy: -55.695162
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -13.770
flat angles C4'-P-C4' energy: -17.267
flat angles P-C4'-P energy: -7.005
tors. eta vs tors. theta energy: -1.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -223.760730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.760730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.760730 (E_RNA)
where:
Base-Base interactions energy: -140.538
where: short stacking energy: -79.762
Base-Backbone interact. energy: -0.035
local terms energy: -83.188637
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -20.868
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -23.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -222.176699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.176699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.176699 (E_RNA)
where:
Base-Base interactions energy: -144.759
where: short stacking energy: -67.677
Base-Backbone interact. energy: 0.857
local terms energy: -78.274009
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -19.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -210.990920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.990920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.990920 (E_RNA)
where:
Base-Base interactions energy: -133.781
where: short stacking energy: -67.699
Base-Backbone interact. energy: -0.041
local terms energy: -77.168646
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -18.704
flat angles C4'-P-C4' energy: -18.855
flat angles P-C4'-P energy: -7.299
tors. eta vs tors. theta energy: -17.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -186.767742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.767742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.767742 (E_RNA)
where:
Base-Base interactions energy: -115.273
where: short stacking energy: -65.450
Base-Backbone interact. energy: -0.095
local terms energy: -71.398913
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -11.061
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -16.805
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: 41
Temperature: 1.100000
Total energy: -201.097756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.097756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.097756 (E_RNA)
where:
Base-Base interactions energy: -128.621
where: short stacking energy: -64.385
Base-Backbone interact. energy: 0.584
local terms energy: -73.060900
where:
bonds (distance) C4'-P energy: -12.656
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -18.540
flat angles P-C4'-P energy: -8.289
tors. eta vs tors. theta energy: -18.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -192.623659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.623659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.623659 (E_RNA)
where:
Base-Base interactions energy: -133.519
where: short stacking energy: -55.101
Base-Backbone interact. energy: -0.311
local terms energy: -58.792967
where:
bonds (distance) C4'-P energy: -4.660
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -13.675
tors. eta vs tors. theta energy: -10.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -175.276159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.276159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.276159 (E_RNA)
where:
Base-Base interactions energy: -107.686
where: short stacking energy: -52.332
Base-Backbone interact. energy: -0.141
local terms energy: -67.449309
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -17.801
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -7.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -148.605467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.605467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.605467 (E_RNA)
where:
Base-Base interactions energy: -83.951
where: short stacking energy: -32.072
Base-Backbone interact. energy: -0.428
local terms energy: -64.226681
where:
bonds (distance) C4'-P energy: -15.822
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -5.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -88.144385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.144385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.144385 (E_RNA)
where:
Base-Base interactions energy: -32.719
where: short stacking energy: -32.719
Base-Backbone interact. energy: 0.492
local terms energy: -55.917376
where:
bonds (distance) C4'-P energy: -8.578
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -11.470
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -7.960
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: 2
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -99.467676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.467676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.467676 (E_RNA)
where:
Base-Base interactions energy: -36.870
where: short stacking energy: -34.363
Base-Backbone interact. energy: -0.217
local terms energy: -62.381082
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -14.622
tors. eta vs tors. theta energy: -1.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -211.300257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.300257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.300257 (E_RNA)
where:
Base-Base interactions energy: -135.777
where: short stacking energy: -63.082
Base-Backbone interact. energy: -0.230
local terms energy: -75.293012
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -20.644
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -3.621
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: 2, replica: 6
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -215.757351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.757351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.757351 (E_RNA)
where:
Base-Base interactions energy: -140.309
where: short stacking energy: -62.590
Base-Backbone interact. energy: -0.624
local terms energy: -74.823823
where:
bonds (distance) C4'-P energy: -15.234
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -11.105
flat angles P-C4'-P energy: -13.758
tors. eta vs tors. theta energy: -18.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -224.481356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.481356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.481356 (E_RNA)
where:
Base-Base interactions energy: -145.574
where: short stacking energy: -73.943
Base-Backbone interact. energy: -0.063
local terms energy: -78.844394
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -17.098
flat angles P-C4'-P energy: -13.315
tors. eta vs tors. theta energy: -18.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -192.126199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.126199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.126199 (E_RNA)
where:
Base-Base interactions energy: -120.665
where: short stacking energy: -61.692
Base-Backbone interact. energy: -0.209
local terms energy: -71.252114
where:
bonds (distance) C4'-P energy: -15.592
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -17.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -193.978427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.978427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.978427 (E_RNA)
where:
Base-Base interactions energy: -131.296
where: short stacking energy: -48.530
Base-Backbone interact. energy: -0.289
local terms energy: -62.393710
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: -7.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -200.954403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.954403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.954403 (E_RNA)
where:
Base-Base interactions energy: -127.731
where: short stacking energy: -55.958
Base-Backbone interact. energy: -0.283
local terms energy: -72.940578
where:
bonds (distance) C4'-P energy: -19.556
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -7.979
tors. eta vs tors. theta energy: -14.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -155.336957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.336957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.336957 (E_RNA)
where:
Base-Base interactions energy: -92.054
where: short stacking energy: -54.100
Base-Backbone interact. energy: -0.266
local terms energy: -63.016789
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -19.725
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -3.246
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: 8, replica: 5
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -152.854766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.854766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.854766 (E_RNA)
where:
Base-Base interactions energy: -90.743
where: short stacking energy: -54.650
Base-Backbone interact. energy: -0.039
local terms energy: -62.073299
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -18.077
flat angles C4'-P-C4' energy: -10.744
flat angles P-C4'-P energy: -7.920
tors. eta vs tors. theta energy: -9.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -95.243748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.243748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.243748 (E_RNA)
where:
Base-Base interactions energy: -27.937
where: short stacking energy: -24.007
Base-Backbone interact. energy: -0.187
local terms energy: -67.119597
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -16.897
flat angles C4'-P-C4' energy: -12.673
flat angles P-C4'-P energy: -16.626
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: 10, replica: 10
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -88.070589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.070589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.070589 (E_RNA)
where:
Base-Base interactions energy: -33.024
where: short stacking energy: -32.477
Base-Backbone interact. energy: 2.355
local terms energy: -57.400995
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -13.907
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -5.080
tors. eta vs tors. theta energy: -7.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -230.107969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.107969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.107969 (E_RNA)
where:
Base-Base interactions energy: -146.284
where: short stacking energy: -74.766
Base-Backbone interact. energy: -0.018
local terms energy: -83.806226
where:
bonds (distance) C4'-P energy: -17.130
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -12.051
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: 2, replica: 8
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -219.064131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.064131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.064131 (E_RNA)
where:
Base-Base interactions energy: -141.694
where: short stacking energy: -71.324
Base-Backbone interact. energy: -0.099
local terms energy: -77.270647
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -16.899
flat angles P-C4'-P energy: -11.499
tors. eta vs tors. theta energy: -19.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -203.839456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.839456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.839456 (E_RNA)
where:
Base-Base interactions energy: -128.560
where: short stacking energy: -74.225
Base-Backbone interact. energy: -0.135
local terms energy: -75.144717
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -16.937
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -19.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -218.903156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.903156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.903156 (E_RNA)
where:
Base-Base interactions energy: -138.319
where: short stacking energy: -61.278
Base-Backbone interact. energy: -0.164
local terms energy: -80.420404
where:
bonds (distance) C4'-P energy: -20.892
bonds (distance) P-C4' energy: -17.677
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -10.860
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: 7
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -190.195500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.195500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.195500 (E_RNA)
where:
Base-Base interactions energy: -115.982
where: short stacking energy: -54.991
Base-Backbone interact. energy: -0.282
local terms energy: -73.931485
where:
bonds (distance) C4'-P energy: -16.637
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -8.736
tors. eta vs tors. theta energy: -17.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -177.192748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.192748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.192748 (E_RNA)
where:
Base-Base interactions energy: -100.933
where: short stacking energy: -59.757
Base-Backbone interact. energy: -0.106
local terms energy: -76.153578
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -15.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -194.226473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.226473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.226473 (E_RNA)
where:
Base-Base interactions energy: -119.227
where: short stacking energy: -66.122
Base-Backbone interact. energy: -0.345
local terms energy: -74.655254
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -11.613
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -18.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -150.659054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.659054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.659054 (E_RNA)
where:
Base-Base interactions energy: -90.626
where: short stacking energy: -55.329
Base-Backbone interact. energy: -0.076
local terms energy: -59.956929
where:
bonds (distance) C4'-P energy: -16.182
bonds (distance) P-C4' energy: -12.249
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -12.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -90.166696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.166696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.166696 (E_RNA)
where:
Base-Base interactions energy: -41.192
where: short stacking energy: -34.987
Base-Backbone interact. energy: 0.227
local terms energy: -49.201723
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -9.331
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -2.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -88.050994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.050994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.050994 (E_RNA)
where:
Base-Base interactions energy: -41.864
where: short stacking energy: -27.992
Base-Backbone interact. energy: -0.299
local terms energy: -45.887199
where:
bonds (distance) C4'-P energy: -9.838
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -3.341
tors. eta vs tors. theta energy: -4.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -230.534890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.534890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.534890 (E_RNA)
where:
Base-Base interactions energy: -151.398
where: short stacking energy: -72.560
Base-Backbone interact. energy: -0.137
local terms energy: -78.999661
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -18.317
flat angles P-C4'-P energy: -13.090
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: 2, replica: 1
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -221.823186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.823186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.823186 (E_RNA)
where:
Base-Base interactions energy: -135.784
where: short stacking energy: -66.327
Base-Backbone interact. energy: -0.117
local terms energy: -85.921822
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -21.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -205.194505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.194505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.194505 (E_RNA)
where:
Base-Base interactions energy: -129.501
where: short stacking energy: -55.959
Base-Backbone interact. energy: -0.410
local terms energy: -75.283867
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -17.610
flat angles P-C4'-P energy: -14.443
tors. eta vs tors. theta energy: -13.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -192.847870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.847870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.847870 (E_RNA)
where:
Base-Base interactions energy: -114.464
where: short stacking energy: -61.637
Base-Backbone interact. energy: 0.100
local terms energy: -78.484674
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -17.431
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -21.561
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: 3
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -178.268497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.268497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.268497 (E_RNA)
where:
Base-Base interactions energy: -108.297
where: short stacking energy: -62.928
Base-Backbone interact. energy: -0.698
local terms energy: -69.273472
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -14.878
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -13.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -167.054810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.054810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.054810 (E_RNA)
where:
Base-Base interactions energy: -98.621
where: short stacking energy: -51.420
Base-Backbone interact. energy: -0.271
local terms energy: -68.162577
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -10.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -175.332144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.332144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.332144 (E_RNA)
where:
Base-Base interactions energy: -120.573
where: short stacking energy: -44.361
Base-Backbone interact. energy: 0.188
local terms energy: -54.946638
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -0.635
tors. eta vs tors. theta energy: -8.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -153.678249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.678249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.678249 (E_RNA)
where:
Base-Base interactions energy: -82.938
where: short stacking energy: -42.868
Base-Backbone interact. energy: -0.782
local terms energy: -69.958320
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -19.048
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: -7.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -103.631612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.631612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.631612 (E_RNA)
where:
Base-Base interactions energy: -43.609
where: short stacking energy: -43.609
Base-Backbone interact. energy: 1.278
local terms energy: -61.300961
where:
bonds (distance) C4'-P energy: -17.016
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -7.616
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -9.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -86.124238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.124238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.124238 (E_RNA)
where:
Base-Base interactions energy: -22.673
where: short stacking energy: -23.273
Base-Backbone interact. energy: -0.019
local terms energy: -63.432129
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -18.274
flat angles C4'-P-C4' energy: -10.404
flat angles P-C4'-P energy: -15.403
tors. eta vs tors. theta energy: -5.166
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: 8
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -242.032535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.032535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.032535 (E_RNA)
where:
Base-Base interactions energy: -157.316
where: short stacking energy: -79.295
Base-Backbone interact. energy: -0.042
local terms energy: -84.674358
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -18.801
flat angles C4'-P-C4' energy: -18.414
flat angles P-C4'-P energy: -13.521
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: 2, replica: 1
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -229.380700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.380700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.380700 (E_RNA)
where:
Base-Base interactions energy: -148.898
where: short stacking energy: -73.840
Base-Backbone interact. energy: -0.164
local terms energy: -80.318373
where:
bonds (distance) C4'-P energy: -16.182
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -17.036
flat angles P-C4'-P energy: -12.710
tors. eta vs tors. theta energy: -17.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -209.712551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.712551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.712551 (E_RNA)
where:
Base-Base interactions energy: -130.656
where: short stacking energy: -57.731
Base-Backbone interact. energy: -0.062
local terms energy: -78.994382
where:
bonds (distance) C4'-P energy: -17.130
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -13.846
tors. eta vs tors. theta energy: -14.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -203.783552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.783552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.783552 (E_RNA)
where:
Base-Base interactions energy: -134.677
where: short stacking energy: -57.561
Base-Backbone interact. energy: -0.360
local terms energy: -68.745620
where:
bonds (distance) C4'-P energy: -17.241
bonds (distance) P-C4' energy: -19.424
flat angles C4'-P-C4' energy: -18.239
flat angles P-C4'-P energy: -5.910
tors. eta vs tors. theta energy: -7.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -179.208052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.208052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.208052 (E_RNA)
where:
Base-Base interactions energy: -115.209
where: short stacking energy: -48.097
Base-Backbone interact. energy: -0.729
local terms energy: -63.270857
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -12.677
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -5.858
tors. eta vs tors. theta energy: -13.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -219.160338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.160338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.160338 (E_RNA)
where:
Base-Base interactions energy: -142.356
where: short stacking energy: -68.034
Base-Backbone interact. energy: -0.096
local terms energy: -76.708643
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -16.426
flat angles C4'-P-C4' energy: -19.487
flat angles P-C4'-P energy: -8.626
tors. eta vs tors. theta energy: -18.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -177.894817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.894817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.894817 (E_RNA)
where:
Base-Base interactions energy: -111.210
where: short stacking energy: -63.051
Base-Backbone interact. energy: -0.113
local terms energy: -66.572344
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -3.841
tors. eta vs tors. theta energy: -16.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -147.845490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.845490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.845490 (E_RNA)
where:
Base-Base interactions energy: -79.602
where: short stacking energy: -46.197
Base-Backbone interact. energy: -0.129
local terms energy: -68.114200
where:
bonds (distance) C4'-P energy: -18.251
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -11.241
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -9.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -81.416864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.416864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.416864 (E_RNA)
where:
Base-Base interactions energy: -28.289
where: short stacking energy: -28.289
Base-Backbone interact. energy: 1.185
local terms energy: -54.313251
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -15.189
flat angles C4'-P-C4' energy: -10.489
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -0.653
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: 2
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -91.091416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.091416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.091416 (E_RNA)
where:
Base-Base interactions energy: -36.696
where: short stacking energy: -31.921
Base-Backbone interact. energy: 1.387
local terms energy: -55.782187
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -11.486
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -8.218
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: 1
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -227.508749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.508749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.508749 (E_RNA)
where:
Base-Base interactions energy: -149.823
where: short stacking energy: -60.720
Base-Backbone interact. energy: 0.060
local terms energy: -77.746237
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -17.484
flat angles C4'-P-C4' energy: -18.027
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -16.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -244.286116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.286116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.286116 (E_RNA)
where:
Base-Base interactions energy: -151.582
where: short stacking energy: -81.162
Base-Backbone interact. energy: -0.019
local terms energy: -92.684469
where:
bonds (distance) C4'-P energy: -19.137
bonds (distance) P-C4' energy: -17.901
flat angles C4'-P-C4' energy: -21.256
flat angles P-C4'-P energy: -12.005
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: 4
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -210.394643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.394643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.394643 (E_RNA)
where:
Base-Base interactions energy: -137.741
where: short stacking energy: -60.103
Base-Backbone interact. energy: -0.072
local terms energy: -72.581208
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -17.695
flat angles P-C4'-P energy: -8.096
tors. eta vs tors. theta energy: -11.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -199.990323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.990323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.990323 (E_RNA)
where:
Base-Base interactions energy: -138.087
where: short stacking energy: -52.008
Base-Backbone interact. energy: -0.284
local terms energy: -61.618689
where:
bonds (distance) C4'-P energy: -17.442
bonds (distance) P-C4' energy: -12.708
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -7.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -186.374965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.374965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.374965 (E_RNA)
where:
Base-Base interactions energy: -117.792
where: short stacking energy: -53.303
Base-Backbone interact. energy: -0.555
local terms energy: -68.028301
where:
bonds (distance) C4'-P energy: -17.315
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -9.280
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: 6, replica: 9
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -195.129020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.129020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.129020 (E_RNA)
where:
Base-Base interactions energy: -116.042
where: short stacking energy: -63.790
Base-Backbone interact. energy: -0.407
local terms energy: -78.680276
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -19.334
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -18.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -151.803858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.803858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.803858 (E_RNA)
where:
Base-Base interactions energy: -91.414
where: short stacking energy: -46.755
Base-Backbone interact. energy: 1.356
local terms energy: -61.746305
where:
bonds (distance) C4'-P energy: -18.695
bonds (distance) P-C4' energy: -11.126
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: -6.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -167.964754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.964754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.964754 (E_RNA)
where:
Base-Base interactions energy: -100.575
where: short stacking energy: -48.885
Base-Backbone interact. energy: -0.042
local terms energy: -67.347800
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -17.818
flat angles P-C4'-P energy: -8.284
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: 9, replica: 2
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -80.233791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.233791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.233791 (E_RNA)
where:
Base-Base interactions energy: -24.485
where: short stacking energy: -20.890
Base-Backbone interact. energy: -0.206
local terms energy: -55.543617
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -1.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -92.419846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.419846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.419846 (E_RNA)
where:
Base-Base interactions energy: -34.468
where: short stacking energy: -35.068
Base-Backbone interact. energy: -0.187
local terms energy: -57.764347
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -15.761
flat angles C4'-P-C4' energy: -11.155
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -8.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -228.529495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.529495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.529495 (E_RNA)
where:
Base-Base interactions energy: -142.493
where: short stacking energy: -79.558
Base-Backbone interact. energy: -0.099
local terms energy: -85.937392
where:
bonds (distance) C4'-P energy: -16.934
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -14.148
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: 2, replica: 8
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -230.041226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.041226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.041226 (E_RNA)
where:
Base-Base interactions energy: -146.288
where: short stacking energy: -71.060
Base-Backbone interact. energy: -0.174
local terms energy: -83.578880
where:
bonds (distance) C4'-P energy: -17.473
bonds (distance) P-C4' energy: -20.154
flat angles C4'-P-C4' energy: -17.599
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -19.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -225.148849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.148849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.148849 (E_RNA)
where:
Base-Base interactions energy: -149.659
where: short stacking energy: -62.942
Base-Backbone interact. energy: -0.085
local terms energy: -75.405404
where:
bonds (distance) C4'-P energy: -18.571
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -14.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -202.461317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.461317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.461317 (E_RNA)
where:
Base-Base interactions energy: -123.547
where: short stacking energy: -61.808
Base-Backbone interact. energy: -0.167
local terms energy: -78.747368
where:
bonds (distance) C4'-P energy: -18.420
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -17.607
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -18.489
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: 3
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -190.507061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.507061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.507061 (E_RNA)
where:
Base-Base interactions energy: -118.915
where: short stacking energy: -48.904
Base-Backbone interact. energy: -0.736
local terms energy: -70.856128
where:
bonds (distance) C4'-P energy: -16.437
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -18.699
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -8.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -169.131189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.131189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.131189 (E_RNA)
where:
Base-Base interactions energy: -109.972
where: short stacking energy: -47.410
Base-Backbone interact. energy: -0.039
local terms energy: -59.119279
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -2.988
tors. eta vs tors. theta energy: -13.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -179.083653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.083653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.083653 (E_RNA)
where:
Base-Base interactions energy: -104.728
where: short stacking energy: -60.185
Base-Backbone interact. energy: -0.051
local terms energy: -74.304298
where:
bonds (distance) C4'-P energy: -19.360
bonds (distance) P-C4' energy: -18.273
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -5.806
tors. eta vs tors. theta energy: -14.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -156.039605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.039605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.039605 (E_RNA)
where:
Base-Base interactions energy: -103.687
where: short stacking energy: -52.153
Base-Backbone interact. energy: -0.778
local terms energy: -51.575014
where:
bonds (distance) C4'-P energy: -7.873
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -7.307
tors. eta vs tors. theta energy: -4.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -90.551454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.551454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.551454 (E_RNA)
where:
Base-Base interactions energy: -33.910
where: short stacking energy: -27.229
Base-Backbone interact. energy: -0.312
local terms energy: -56.328889
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -15.235
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: 0.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -86.278286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.278286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.278286 (E_RNA)
where:
Base-Base interactions energy: -33.742
where: short stacking energy: -30.933
Base-Backbone interact. energy: 1.038
local terms energy: -53.574637
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -8.884
flat angles P-C4'-P energy: -7.329
tors. eta vs tors. theta energy: -7.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -239.279943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.279943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.279943 (E_RNA)
where:
Base-Base interactions energy: -152.772
where: short stacking energy: -78.024
Base-Backbone interact. energy: -0.017
local terms energy: -86.490870
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -17.586
flat angles C4'-P-C4' energy: -17.671
flat angles P-C4'-P energy: -13.766
tors. eta vs tors. theta energy: -20.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -216.891753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.891753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.891753 (E_RNA)
where:
Base-Base interactions energy: -135.312
where: short stacking energy: -65.606
Base-Backbone interact. energy: -0.121
local terms energy: -81.458615
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -18.991
flat angles P-C4'-P energy: -12.531
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: 3, replica: 4
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -206.834807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.834807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.834807 (E_RNA)
where:
Base-Base interactions energy: -134.003
where: short stacking energy: -69.360
Base-Backbone interact. energy: -0.338
local terms energy: -72.493669
where:
bonds (distance) C4'-P energy: -12.590
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -17.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -209.606459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.606459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.606459 (E_RNA)
where:
Base-Base interactions energy: -128.329
where: short stacking energy: -63.694
Base-Backbone interact. energy: 0.037
local terms energy: -81.314286
where:
bonds (distance) C4'-P energy: -19.170
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -18.321
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -14.377
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: 5
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -178.418128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.418128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.418128 (E_RNA)
where:
Base-Base interactions energy: -102.253
where: short stacking energy: -57.195
Base-Backbone interact. energy: -0.132
local terms energy: -76.032802
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -13.065
tors. eta vs tors. theta energy: -16.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -194.208582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.208582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.208582 (E_RNA)
where:
Base-Base interactions energy: -121.862
where: short stacking energy: -48.540
Base-Backbone interact. energy: -0.203
local terms energy: -72.143495
where:
bonds (distance) C4'-P energy: -17.341
bonds (distance) P-C4' energy: -18.932
flat angles C4'-P-C4' energy: -17.761
flat angles P-C4'-P energy: -6.799
tors. eta vs tors. theta energy: -11.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -173.617240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.617240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.617240 (E_RNA)
where:
Base-Base interactions energy: -109.067
where: short stacking energy: -49.064
Base-Backbone interact. energy: -0.311
local terms energy: -64.238853
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -8.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -178.834936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.834936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.834936 (E_RNA)
where:
Base-Base interactions energy: -106.175
where: short stacking energy: -51.239
Base-Backbone interact. energy: 0.290
local terms energy: -72.950190
where:
bonds (distance) C4'-P energy: -21.219
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -4.171
tors. eta vs tors. theta energy: -13.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -137.573380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.573380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.573380 (E_RNA)
where:
Base-Base interactions energy: -79.813
where: short stacking energy: -37.229
Base-Backbone interact. energy: -0.375
local terms energy: -57.385556
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -13.198
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -6.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -85.992948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.992948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.992948 (E_RNA)
where:
Base-Base interactions energy: -32.961
where: short stacking energy: -22.937
Base-Backbone interact. energy: -0.378
local terms energy: -52.654859
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -15.382
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -7.160
tors. eta vs tors. theta energy: -2.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -230.828212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.828212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.828212 (E_RNA)
where:
Base-Base interactions energy: -144.214
where: short stacking energy: -70.055
Base-Backbone interact. energy: -0.343
local terms energy: -86.270687
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -20.895
flat angles C4'-P-C4' energy: -19.656
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -19.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -231.729646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.729646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.729646 (E_RNA)
where:
Base-Base interactions energy: -156.163
where: short stacking energy: -75.015
Base-Backbone interact. energy: -0.167
local terms energy: -75.400580
where:
bonds (distance) C4'-P energy: -17.989
bonds (distance) P-C4' energy: -15.521
flat angles C4'-P-C4' energy: -18.522
flat angles P-C4'-P energy: -6.217
tors. eta vs tors. theta energy: -17.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -220.717852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.717852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.717852 (E_RNA)
where:
Base-Base interactions energy: -143.375
where: short stacking energy: -57.884
Base-Backbone interact. energy: -0.163
local terms energy: -77.180249
where:
bonds (distance) C4'-P energy: -16.677
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -14.650
tors. eta vs tors. theta energy: -12.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -206.958751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.958751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.958751 (E_RNA)
where:
Base-Base interactions energy: -135.793
where: short stacking energy: -70.384
Base-Backbone interact. energy: -0.053
local terms energy: -71.113067
where:
bonds (distance) C4'-P energy: -7.708
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -13.289
tors. eta vs tors. theta energy: -19.488
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: 49
Temperature: 1.100000
Total energy: -176.803017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.803017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.803017 (E_RNA)
where:
Base-Base interactions energy: -102.021
where: short stacking energy: -58.627
Base-Backbone interact. energy: -0.126
local terms energy: -74.656586
where:
bonds (distance) C4'-P energy: -9.780
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -11.156
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: 6, replica: 3
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -170.295684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.295684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.295684 (E_RNA)
where:
Base-Base interactions energy: -109.964
where: short stacking energy: -36.980
Base-Backbone interact. energy: -0.368
local terms energy: -59.963648
where:
bonds (distance) C4'-P energy: -4.163
bonds (distance) P-C4' energy: -19.976
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -9.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -185.546646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.546646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.546646 (E_RNA)
where:
Base-Base interactions energy: -117.841
where: short stacking energy: -51.468
Base-Backbone interact. energy: -0.087
local terms energy: -67.618537
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -6.421
tors. eta vs tors. theta energy: -16.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -157.123076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.123076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.123076 (E_RNA)
where:
Base-Base interactions energy: -92.795
where: short stacking energy: -45.099
Base-Backbone interact. energy: 0.317
local terms energy: -64.645117
where:
bonds (distance) C4'-P energy: -18.620
bonds (distance) P-C4' energy: -12.686
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -6.277
tors. eta vs tors. theta energy: -12.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -88.586905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.586905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.586905 (E_RNA)
where:
Base-Base interactions energy: -35.531
where: short stacking energy: -25.001
Base-Backbone interact. energy: -0.310
local terms energy: -52.745884
where:
bonds (distance) C4'-P energy: -10.235
bonds (distance) P-C4' energy: -18.397
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -6.821
tors. eta vs tors. theta energy: -0.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -88.987107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.987107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.987107 (E_RNA)
where:
Base-Base interactions energy: -34.002
where: short stacking energy: -24.274
Base-Backbone interact. energy: -0.211
local terms energy: -54.774228
where:
bonds (distance) C4'-P energy: -10.534
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -11.629
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: 1, replica: 8
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -227.046856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.046856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.046856 (E_RNA)
where:
Base-Base interactions energy: -148.031
where: short stacking energy: -74.252
Base-Backbone interact. energy: -0.072
local terms energy: -78.944273
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -18.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -224.872497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.872497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.872497 (E_RNA)
where:
Base-Base interactions energy: -140.634
where: short stacking energy: -74.442
Base-Backbone interact. energy: -0.107
local terms energy: -84.130980
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -17.040
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -15.125
tors. eta vs tors. theta energy: -18.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -220.949576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.949576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.949576 (E_RNA)
where:
Base-Base interactions energy: -134.416
where: short stacking energy: -71.675
Base-Backbone interact. energy: -0.041
local terms energy: -86.492686
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -19.883
flat angles C4'-P-C4' energy: -20.746
flat angles P-C4'-P energy: -13.307
tors. eta vs tors. theta energy: -20.767
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: 50
Temperature: 1.050000
Total energy: -222.249423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.249423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.249423 (E_RNA)
where:
Base-Base interactions energy: -150.192
where: short stacking energy: -61.180
Base-Backbone interact. energy: -0.095
local terms energy: -71.962474
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -16.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -169.884184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.884184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.884184 (E_RNA)
where:
Base-Base interactions energy: -92.182
where: short stacking energy: -57.229
Base-Backbone interact. energy: -0.291
local terms energy: -77.412018
where:
bonds (distance) C4'-P energy: -16.905
bonds (distance) P-C4' energy: -20.362
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -15.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -180.815496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.815496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.815496 (E_RNA)
where:
Base-Base interactions energy: -108.491
where: short stacking energy: -50.812
Base-Backbone interact. energy: -0.180
local terms energy: -72.144365
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -14.136
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -13.835
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: 7
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -174.549703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.549703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.549703 (E_RNA)
where:
Base-Base interactions energy: -104.523
where: short stacking energy: -50.177
Base-Backbone interact. energy: -0.137
local terms energy: -69.889726
where:
bonds (distance) C4'-P energy: -16.277
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -11.669
flat angles P-C4'-P energy: -14.281
tors. eta vs tors. theta energy: -11.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -136.404436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.404436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.404436 (E_RNA)
where:
Base-Base interactions energy: -78.229
where: short stacking energy: -39.756
Base-Backbone interact. energy: -0.291
local terms energy: -57.884617
where:
bonds (distance) C4'-P energy: -18.483
bonds (distance) P-C4' energy: -19.097
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -4.712
tors. eta vs tors. theta energy: -3.608
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: 2
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -88.327357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.327357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.327357 (E_RNA)
where:
Base-Base interactions energy: -34.063
where: short stacking energy: -21.872
Base-Backbone interact. energy: 1.608
local terms energy: -55.872057
where:
bonds (distance) C4'-P energy: -18.164
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -10.300
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: 2.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -84.574467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.574467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.574467 (E_RNA)
where:
Base-Base interactions energy: -34.177
where: short stacking energy: -23.352
Base-Backbone interact. energy: -0.510
local terms energy: -49.887211
where:
bonds (distance) C4'-P energy: -11.679
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -2.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -232.704479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.704479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.704479 (E_RNA)
where:
Base-Base interactions energy: -151.980
where: short stacking energy: -70.306
Base-Backbone interact. energy: 0.646
local terms energy: -81.370680
where:
bonds (distance) C4'-P energy: -18.011
bonds (distance) P-C4' energy: -16.785
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -19.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -236.543396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.543396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.543396 (E_RNA)
where:
Base-Base interactions energy: -152.013
where: short stacking energy: -80.572
Base-Backbone interact. energy: -0.086
local terms energy: -84.444320
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -19.494
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -21.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -218.601777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.601777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.601777 (E_RNA)
where:
Base-Base interactions energy: -138.516
where: short stacking energy: -66.719
Base-Backbone interact. energy: -0.127
local terms energy: -79.958596
where:
bonds (distance) C4'-P energy: -16.035
bonds (distance) P-C4' energy: -19.976
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -18.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -220.386885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.386885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.386885 (E_RNA)
where:
Base-Base interactions energy: -151.452
where: short stacking energy: -60.622
Base-Backbone interact. energy: -0.080
local terms energy: -68.855169
where:
bonds (distance) C4'-P energy: -14.474
bonds (distance) P-C4' energy: -14.907
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -14.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -180.235371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.235371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.235371 (E_RNA)
where:
Base-Base interactions energy: -111.591
where: short stacking energy: -61.958
Base-Backbone interact. energy: -0.013
local terms energy: -68.631512
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -16.466
flat angles P-C4'-P energy: -6.497
tors. eta vs tors. theta energy: -15.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -189.241339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.241339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.241339 (E_RNA)
where:
Base-Base interactions energy: -115.852
where: short stacking energy: -52.228
Base-Backbone interact. energy: 0.562
local terms energy: -73.951147
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -14.683
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -20.803
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: 3
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -164.837161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.837161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.837161 (E_RNA)
where:
Base-Base interactions energy: -101.418
where: short stacking energy: -56.365
Base-Backbone interact. energy: 5.978
local terms energy: -69.396936
where:
bonds (distance) C4'-P energy: -17.635
bonds (distance) P-C4' energy: -15.841
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -8.280
tors. eta vs tors. theta energy: -12.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -140.911175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.911175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.911175 (E_RNA)
where:
Base-Base interactions energy: -83.470
where: short stacking energy: -40.632
Base-Backbone interact. energy: 1.309
local terms energy: -58.750254
where:
bonds (distance) C4'-P energy: -17.146
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -10.937
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -5.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -101.981783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.981783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.981783 (E_RNA)
where:
Base-Base interactions energy: -40.889
where: short stacking energy: -32.343
Base-Backbone interact. energy: -0.053
local terms energy: -61.039769
where:
bonds (distance) C4'-P energy: -17.298
bonds (distance) P-C4' energy: -17.782
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -4.022
tors. eta vs tors. theta energy: -4.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -85.264143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.264143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.264143 (E_RNA)
where:
Base-Base interactions energy: -27.651
where: short stacking energy: -27.651
Base-Backbone interact. energy: 0.164
local terms energy: -57.777890
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -11.671
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: 1, replica: 6
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -238.464423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.464423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.464423 (E_RNA)
where:
Base-Base interactions energy: -153.245
where: short stacking energy: -73.550
Base-Backbone interact. energy: -0.076
local terms energy: -85.143032
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -20.064
flat angles P-C4'-P energy: -11.698
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: 2, replica: 8
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -247.045972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.045972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.045972 (E_RNA)
where:
Base-Base interactions energy: -158.746
where: short stacking energy: -73.374
Base-Backbone interact. energy: -0.084
local terms energy: -88.216019
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -20.433
flat angles C4'-P-C4' energy: -18.484
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -23.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -225.086932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.086932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.086932 (E_RNA)
where:
Base-Base interactions energy: -140.006
where: short stacking energy: -74.452
Base-Backbone interact. energy: -0.107
local terms energy: -84.973906
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -21.063
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -13.206
tors. eta vs tors. theta energy: -19.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -218.066489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.066489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.066489 (E_RNA)
where:
Base-Base interactions energy: -145.123
where: short stacking energy: -57.989
Base-Backbone interact. energy: -0.098
local terms energy: -72.845700
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -15.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -181.111398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.111398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.111398 (E_RNA)
where:
Base-Base interactions energy: -103.462
where: short stacking energy: -61.988
Base-Backbone interact. energy: -0.945
local terms energy: -76.704035
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -20.469
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -13.454
tors. eta vs tors. theta energy: -11.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -174.188701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.188701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.188701 (E_RNA)
where:
Base-Base interactions energy: -98.596
where: short stacking energy: -61.080
Base-Backbone interact. energy: -0.114
local terms energy: -75.478564
where:
bonds (distance) C4'-P energy: -9.707
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -18.416
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -16.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -176.731105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.731105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.731105 (E_RNA)
where:
Base-Base interactions energy: -111.379
where: short stacking energy: -57.557
Base-Backbone interact. energy: 0.256
local terms energy: -65.608309
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -13.206
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -8.454
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: 8, replica: 3
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -175.363347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.363347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.363347 (E_RNA)
where:
Base-Base interactions energy: -115.641
where: short stacking energy: -53.389
Base-Backbone interact. energy: -0.318
local terms energy: -59.404071
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -18.887
flat angles P-C4'-P energy: -5.413
tors. eta vs tors. theta energy: -7.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -93.471820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.471820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.471820 (E_RNA)
where:
Base-Base interactions energy: -37.987
where: short stacking energy: -37.987
Base-Backbone interact. energy: -0.102
local terms energy: -55.382404
where:
bonds (distance) C4'-P energy: -10.363
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -5.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -96.457750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.457750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.457750 (E_RNA)
where:
Base-Base interactions energy: -45.125
where: short stacking energy: -26.435
Base-Backbone interact. energy: -0.185
local terms energy: -51.147419
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -9.505
flat angles P-C4'-P energy: -13.452
tors. eta vs tors. theta energy: -2.553
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: 6
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -237.853734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.853734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.853734 (E_RNA)
where:
Base-Base interactions energy: -154.917
where: short stacking energy: -71.864
Base-Backbone interact. energy: -0.326
local terms energy: -82.610389
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -19.319
flat angles C4'-P-C4' energy: -18.257
flat angles P-C4'-P energy: -8.887
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: 2, replica: 8
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -222.251204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.251204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.251204 (E_RNA)
where:
Base-Base interactions energy: -138.942
where: short stacking energy: -65.688
Base-Backbone interact. energy: -0.080
local terms energy: -83.229301
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -17.642
flat angles C4'-P-C4' energy: -19.766
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -17.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -205.763227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.763227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.763227 (E_RNA)
where:
Base-Base interactions energy: -130.128
where: short stacking energy: -58.645
Base-Backbone interact. energy: 2.097
local terms energy: -77.732078
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -19.130
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -15.132
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: 7
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -197.103910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.103910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.103910 (E_RNA)
where:
Base-Base interactions energy: -119.046
where: short stacking energy: -63.776
Base-Backbone interact. energy: -0.059
local terms energy: -77.998830
where:
bonds (distance) C4'-P energy: -18.528
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -18.901
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -15.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -190.277915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.277915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.277915 (E_RNA)
where:
Base-Base interactions energy: -112.197
where: short stacking energy: -61.230
Base-Backbone interact. energy: -0.021
local terms energy: -78.059233
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -18.942
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -14.692
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: 9
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -193.791018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.791018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.791018 (E_RNA)
where:
Base-Base interactions energy: -118.193
where: short stacking energy: -55.298
Base-Backbone interact. energy: -0.490
local terms energy: -75.108697
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -17.070
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -14.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -165.302967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.302967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.302967 (E_RNA)
where:
Base-Base interactions energy: -101.640
where: short stacking energy: -52.933
Base-Backbone interact. energy: -0.254
local terms energy: -63.408590
where:
bonds (distance) C4'-P energy: -8.675
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -19.298
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -10.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -180.819377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.819377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.819377 (E_RNA)
where:
Base-Base interactions energy: -106.425
where: short stacking energy: -60.315
Base-Backbone interact. energy: -0.123
local terms energy: -74.271339
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -12.114
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -13.706
tors. eta vs tors. theta energy: -15.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -89.399760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.399760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.399760 (E_RNA)
where:
Base-Base interactions energy: -38.748
where: short stacking energy: -38.700
Base-Backbone interact. energy: 0.589
local terms energy: -51.241544
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -4.544
tors. eta vs tors. theta energy: -5.348
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: 53
Temperature: 1.350000
Total energy: -95.916688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.916688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.916688 (E_RNA)
where:
Base-Base interactions energy: -35.003
where: short stacking energy: -35.003
Base-Backbone interact. energy: -0.074
local terms energy: -60.839533
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -18.339
flat angles C4'-P-C4' energy: -9.928
flat angles P-C4'-P energy: -14.580
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: 1, replica: 8
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -235.942944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.942944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.942944 (E_RNA)
where:
Base-Base interactions energy: -157.093
where: short stacking energy: -78.872
Base-Backbone interact. energy: -0.050
local terms energy: -78.799856
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -11.978
flat angles C4'-P-C4' energy: -19.987
flat angles P-C4'-P energy: -8.032
tors. eta vs tors. theta energy: -21.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -231.683495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.683495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.683495 (E_RNA)
where:
Base-Base interactions energy: -156.888
where: short stacking energy: -71.652
Base-Backbone interact. energy: -0.286
local terms energy: -74.509833
where:
bonds (distance) C4'-P energy: -17.965
bonds (distance) P-C4' energy: -18.062
flat angles C4'-P-C4' energy: -12.576
flat angles P-C4'-P energy: -7.852
tors. eta vs tors. theta energy: -18.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -200.600763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.600763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.600763 (E_RNA)
where:
Base-Base interactions energy: -125.097
where: short stacking energy: -58.442
Base-Backbone interact. energy: -0.092
local terms energy: -75.411842
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -19.738
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -14.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -216.885883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.885883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.885883 (E_RNA)
where:
Base-Base interactions energy: -130.620
where: short stacking energy: -74.952
Base-Backbone interact. energy: -0.113
local terms energy: -86.153331
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -19.176
flat angles P-C4'-P energy: -11.634
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: 5, replica: 4
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -194.852166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.852166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.852166 (E_RNA)
where:
Base-Base interactions energy: -121.550
where: short stacking energy: -56.835
Base-Backbone interact. energy: -0.346
local terms energy: -72.955525
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -11.469
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: 9
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -176.730386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.730386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.730386 (E_RNA)
where:
Base-Base interactions energy: -109.296
where: short stacking energy: -46.362
Base-Backbone interact. energy: -0.152
local terms energy: -67.282172
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -18.831
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -11.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -157.929438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.929438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.929438 (E_RNA)
where:
Base-Base interactions energy: -90.076
where: short stacking energy: -55.611
Base-Backbone interact. energy: 0.963
local terms energy: -68.815645
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -16.358
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -14.681
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: 8, replica: 3
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -160.890171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.890171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.890171 (E_RNA)
where:
Base-Base interactions energy: -94.250
where: short stacking energy: -45.194
Base-Backbone interact. energy: 0.107
local terms energy: -66.747443
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: -11.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -91.168006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.168006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.168006 (E_RNA)
where:
Base-Base interactions energy: -35.339
where: short stacking energy: -31.186
Base-Backbone interact. energy: 0.627
local terms energy: -56.456671
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -14.416
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -2.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -88.149398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.149398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.149398 (E_RNA)
where:
Base-Base interactions energy: -28.021
where: short stacking energy: -28.021
Base-Backbone interact. energy: -0.110
local terms energy: -60.019167
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -11.380
flat angles P-C4'-P energy: -10.646
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: 1, replica: 8
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -234.470691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.470691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.470691 (E_RNA)
where:
Base-Base interactions energy: -147.315
where: short stacking energy: -73.660
Base-Backbone interact. energy: -0.086
local terms energy: -87.070338
where:
bonds (distance) C4'-P energy: -17.448
bonds (distance) P-C4' energy: -18.668
flat angles C4'-P-C4' energy: -19.475
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -20.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -220.893807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.893807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.893807 (E_RNA)
where:
Base-Base interactions energy: -145.034
where: short stacking energy: -72.602
Base-Backbone interact. energy: -0.844
local terms energy: -75.015701
where:
bonds (distance) C4'-P energy: -8.030
bonds (distance) P-C4' energy: -17.307
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -13.546
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: 3, replica: 7
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -198.858017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.858017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.858017 (E_RNA)
where:
Base-Base interactions energy: -122.375
where: short stacking energy: -66.759
Base-Backbone interact. energy: -0.115
local terms energy: -76.367965
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -17.267
flat angles P-C4'-P energy: -8.644
tors. eta vs tors. theta energy: -17.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -188.120222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.120222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.120222 (E_RNA)
where:
Base-Base interactions energy: -124.289
where: short stacking energy: -52.124
Base-Backbone interact. energy: -0.656
local terms energy: -63.175591
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -17.522
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -6.134
tors. eta vs tors. theta energy: -14.261
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: 55
Temperature: 1.100000
Total energy: -192.519502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.519502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.519502 (E_RNA)
where:
Base-Base interactions energy: -118.553
where: short stacking energy: -58.518
Base-Backbone interact. energy: -0.070
local terms energy: -73.896510
where:
bonds (distance) C4'-P energy: -19.787
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -12.556
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: 5
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -178.259521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.259521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.259521 (E_RNA)
where:
Base-Base interactions energy: -110.119
where: short stacking energy: -67.064
Base-Backbone interact. energy: -0.472
local terms energy: -67.667840
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -19.005
flat angles P-C4'-P energy: -5.883
tors. eta vs tors. theta energy: -15.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -165.592369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.592369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.592369 (E_RNA)
where:
Base-Base interactions energy: -106.293
where: short stacking energy: -38.392
Base-Backbone interact. energy: -0.083
local terms energy: -59.216204
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -11.802
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -10.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -149.732439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.732439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.732439 (E_RNA)
where:
Base-Base interactions energy: -87.497
where: short stacking energy: -42.709
Base-Backbone interact. energy: 0.087
local terms energy: -62.322544
where:
bonds (distance) C4'-P energy: -15.468
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -13.192
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -10.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -91.043580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.043580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.043580 (E_RNA)
where:
Base-Base interactions energy: -37.278
where: short stacking energy: -29.774
Base-Backbone interact. energy: -0.363
local terms energy: -53.401920
where:
bonds (distance) C4'-P energy: -19.377
bonds (distance) P-C4' energy: -11.262
flat angles C4'-P-C4' energy: -6.577
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -8.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -96.442884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.442884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.442884 (E_RNA)
where:
Base-Base interactions energy: -45.955
where: short stacking energy: -45.955
Base-Backbone interact. energy: -0.008
local terms energy: -50.480497
where:
bonds (distance) C4'-P energy: -10.363
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -1.882
tors. eta vs tors. theta energy: -8.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -236.070506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.070506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.070506 (E_RNA)
where:
Base-Base interactions energy: -151.911
where: short stacking energy: -78.514
Base-Backbone interact. energy: 0.025
local terms energy: -84.184481
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -17.720
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -20.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -218.348784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.348784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.348784 (E_RNA)
where:
Base-Base interactions energy: -147.546
where: short stacking energy: -67.119
Base-Backbone interact. energy: -0.094
local terms energy: -70.708596
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -16.130
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -9.190
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: 3, replica: 4
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -220.897419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.897419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.897419 (E_RNA)
where:
Base-Base interactions energy: -135.058
where: short stacking energy: -66.822
Base-Backbone interact. energy: -0.661
local terms energy: -85.179079
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -17.780
flat angles C4'-P-C4' energy: -18.883
flat angles P-C4'-P energy: -12.051
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: 4, replica: 7
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -201.645343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.645343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.645343 (E_RNA)
where:
Base-Base interactions energy: -119.877
where: short stacking energy: -62.735
Base-Backbone interact. energy: -0.117
local terms energy: -81.650801
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -17.832
flat angles C4'-P-C4' energy: -19.851
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -18.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -201.513188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.513188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.513188 (E_RNA)
where:
Base-Base interactions energy: -121.730
where: short stacking energy: -64.624
Base-Backbone interact. energy: -0.240
local terms energy: -79.542837
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -18.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -195.149522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.149522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.149522 (E_RNA)
where:
Base-Base interactions energy: -122.487
where: short stacking energy: -57.594
Base-Backbone interact. energy: 0.365
local terms energy: -73.026626
where:
bonds (distance) C4'-P energy: -10.770
bonds (distance) P-C4' energy: -17.804
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -12.622
tors. eta vs tors. theta energy: -18.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -156.625511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.625511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.625511 (E_RNA)
where:
Base-Base interactions energy: -89.529
where: short stacking energy: -45.477
Base-Backbone interact. energy: -0.062
local terms energy: -67.034153
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -16.256
tors. eta vs tors. theta energy: -7.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -154.684899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.684899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.684899 (E_RNA)
where:
Base-Base interactions energy: -98.574
where: short stacking energy: -37.573
Base-Backbone interact. energy: -0.338
local terms energy: -55.772239
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -3.411
tors. eta vs tors. theta energy: -4.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -92.577328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.577328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.577328 (E_RNA)
where:
Base-Base interactions energy: -39.687
where: short stacking energy: -39.687
Base-Backbone interact. energy: -0.056
local terms energy: -52.834475
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -6.357
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -5.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -83.754963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.754963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.754963 (E_RNA)
where:
Base-Base interactions energy: -33.035
where: short stacking energy: -33.035
Base-Backbone interact. energy: -0.139
local terms energy: -50.581204
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -11.687
flat angles C4'-P-C4' energy: -9.493
flat angles P-C4'-P energy: -8.375
tors. eta vs tors. theta energy: -3.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -238.516753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.516753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.516753 (E_RNA)
where:
Base-Base interactions energy: -153.654
where: short stacking energy: -82.450
Base-Backbone interact. energy: -0.041
local terms energy: -84.821849
where:
bonds (distance) C4'-P energy: -16.004
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -23.652
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: 4
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -234.450868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.450868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.450868 (E_RNA)
where:
Base-Base interactions energy: -153.716
where: short stacking energy: -68.959
Base-Backbone interact. energy: 0.158
local terms energy: -80.893636
where:
bonds (distance) C4'-P energy: -9.868
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -20.160
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: -19.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -219.919403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.919403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.919403 (E_RNA)
where:
Base-Base interactions energy: -143.358
where: short stacking energy: -68.086
Base-Backbone interact. energy: -0.208
local terms energy: -76.353357
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -15.698
tors. eta vs tors. theta energy: -12.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -200.223157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.223157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.223157 (E_RNA)
where:
Base-Base interactions energy: -124.629
where: short stacking energy: -59.019
Base-Backbone interact. energy: -0.226
local terms energy: -75.368369
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -18.879
flat angles P-C4'-P energy: -13.314
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: 5, replica: 7
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -183.970333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.970333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.970333 (E_RNA)
where:
Base-Base interactions energy: -108.743
where: short stacking energy: -58.532
Base-Backbone interact. energy: -0.099
local terms energy: -75.128205
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -17.059
flat angles P-C4'-P energy: -13.193
tors. eta vs tors. theta energy: -12.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -182.873525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.873525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.873525 (E_RNA)
where:
Base-Base interactions energy: -107.069
where: short stacking energy: -55.814
Base-Backbone interact. energy: -0.075
local terms energy: -75.729769
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -18.658
flat angles C4'-P-C4' energy: -18.259
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -11.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -160.233781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.233781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.233781 (E_RNA)
where:
Base-Base interactions energy: -95.584
where: short stacking energy: -54.170
Base-Backbone interact. energy: -0.111
local terms energy: -64.538672
where:
bonds (distance) C4'-P energy: -9.892
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -10.941
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -13.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -144.323131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.323131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.323131 (E_RNA)
where:
Base-Base interactions energy: -88.269
where: short stacking energy: -40.916
Base-Backbone interact. energy: -0.165
local terms energy: -55.889844
where:
bonds (distance) C4'-P energy: -17.507
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -1.614
tors. eta vs tors. theta energy: -5.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -91.476075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.476075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.476075 (E_RNA)
where:
Base-Base interactions energy: -45.089
where: short stacking energy: -45.089
Base-Backbone interact. energy: -0.029
local terms energy: -46.358379
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -11.364
flat angles C4'-P-C4' energy: -3.993
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -8.584
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: 2
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -85.466707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.466707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.466707 (E_RNA)
where:
Base-Base interactions energy: -31.679
where: short stacking energy: -27.006
Base-Backbone interact. energy: -0.221
local terms energy: -53.566801
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -10.088
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -3.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -238.362418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.362418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.362418 (E_RNA)
where:
Base-Base interactions energy: -152.206
where: short stacking energy: -80.619
Base-Backbone interact. energy: -0.099
local terms energy: -86.057422
where:
bonds (distance) C4'-P energy: -19.134
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -20.540
flat angles P-C4'-P energy: -10.876
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: 2, replica: 4
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -235.151096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.151096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.151096 (E_RNA)
where:
Base-Base interactions energy: -150.776
where: short stacking energy: -72.087
Base-Backbone interact. energy: -0.140
local terms energy: -84.234919
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -19.783
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -20.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -217.650630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.650630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.650630 (E_RNA)
where:
Base-Base interactions energy: -138.478
where: short stacking energy: -66.976
Base-Backbone interact. energy: -0.282
local terms energy: -78.890316
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -18.933
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -19.392
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: 58
Temperature: 1.050000
Total energy: -219.701251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.701251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.701251 (E_RNA)
where:
Base-Base interactions energy: -145.359
where: short stacking energy: -73.725
Base-Backbone interact. energy: -0.302
local terms energy: -74.040311
where:
bonds (distance) C4'-P energy: -17.825
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: -18.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -178.485105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.485105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.485105 (E_RNA)
where:
Base-Base interactions energy: -114.815
where: short stacking energy: -57.231
Base-Backbone interact. energy: -0.186
local terms energy: -63.483679
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -11.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -186.345080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.345080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.345080 (E_RNA)
where:
Base-Base interactions energy: -115.505
where: short stacking energy: -56.003
Base-Backbone interact. energy: -0.072
local terms energy: -70.767936
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -13.122
tors. eta vs tors. theta energy: -11.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -148.260965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.260965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.260965 (E_RNA)
where:
Base-Base interactions energy: -87.716
where: short stacking energy: -52.010
Base-Backbone interact. energy: 3.519
local terms energy: -64.064024
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -12.254
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -12.865
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: 8, replica: 9
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -144.833288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.833288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.833288 (E_RNA)
where:
Base-Base interactions energy: -83.803
where: short stacking energy: -50.934
Base-Backbone interact. energy: -0.275
local terms energy: -60.754742
where:
bonds (distance) C4'-P energy: -7.838
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -18.319
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -8.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -151.597943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.597943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.597943 (E_RNA)
where:
Base-Base interactions energy: -86.042
where: short stacking energy: -42.224
Base-Backbone interact. energy: 0.687
local terms energy: -66.242745
where:
bonds (distance) C4'-P energy: -17.441
bonds (distance) P-C4' energy: -17.415
flat angles C4'-P-C4' energy: -17.415
flat angles P-C4'-P energy: -6.664
tors. eta vs tors. theta energy: -7.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -105.617243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.617243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.617243 (E_RNA)
where:
Base-Base interactions energy: -45.509
where: short stacking energy: -42.322
Base-Backbone interact. energy: -0.369
local terms energy: -59.739257
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -16.359
flat angles C4'-P-C4' energy: -18.858
flat angles P-C4'-P energy: -6.089
tors. eta vs tors. theta energy: -4.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -242.567971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.567971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.567971 (E_RNA)
where:
Base-Base interactions energy: -157.123
where: short stacking energy: -84.052
Base-Backbone interact. energy: -0.121
local terms energy: -85.324085
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -18.675
flat angles P-C4'-P energy: -13.258
tors. eta vs tors. theta energy: -20.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -246.671480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.671480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.671480 (E_RNA)
where:
Base-Base interactions energy: -160.736
where: short stacking energy: -80.771
Base-Backbone interact. energy: -0.107
local terms energy: -85.828291
where:
bonds (distance) C4'-P energy: -18.793
bonds (distance) P-C4' energy: -19.197
flat angles C4'-P-C4' energy: -18.878
flat angles P-C4'-P energy: -7.087
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: 6
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -216.598763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.598763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.598763 (E_RNA)
where:
Base-Base interactions energy: -141.293
where: short stacking energy: -69.173
Base-Backbone interact. energy: -0.102
local terms energy: -75.204417
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -14.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -211.047474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.047474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.047474 (E_RNA)
where:
Base-Base interactions energy: -132.655
where: short stacking energy: -76.540
Base-Backbone interact. energy: -0.042
local terms energy: -78.350289
where:
bonds (distance) C4'-P energy: -10.242
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -21.144
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -18.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -196.273266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.273266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.273266 (E_RNA)
where:
Base-Base interactions energy: -118.093
where: short stacking energy: -61.057
Base-Backbone interact. energy: -0.062
local terms energy: -78.118224
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -19.174
flat angles C4'-P-C4' energy: -11.864
flat angles P-C4'-P energy: -14.155
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: 6, replica: 5
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -159.273157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.273157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.273157 (E_RNA)
where:
Base-Base interactions energy: -91.214
where: short stacking energy: -50.852
Base-Backbone interact. energy: -0.135
local terms energy: -67.923634
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -11.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -175.648976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.648976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.648976 (E_RNA)
where:
Base-Base interactions energy: -108.472
where: short stacking energy: -49.200
Base-Backbone interact. energy: -0.148
local terms energy: -67.029125
where:
bonds (distance) C4'-P energy: -11.065
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -15.054
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: 8, replica: 9
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -147.388703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.388703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.388703 (E_RNA)
where:
Base-Base interactions energy: -81.628
where: short stacking energy: -56.013
Base-Backbone interact. energy: -1.038
local terms energy: -64.722431
where:
bonds (distance) C4'-P energy: -15.023
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -10.547
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: 9, replica: 10
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -145.190958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.190958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.190958 (E_RNA)
where:
Base-Base interactions energy: -85.227
where: short stacking energy: -40.126
Base-Backbone interact. energy: -0.222
local terms energy: -59.741937
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -19.554
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: -5.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -81.773410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.773410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.773410 (E_RNA)
where:
Base-Base interactions energy: -31.530
where: short stacking energy: -31.530
Base-Backbone interact. energy: -0.055
local terms energy: -50.188252
where:
bonds (distance) C4'-P energy: -6.953
bonds (distance) P-C4' energy: -13.890
flat angles C4'-P-C4' energy: -19.599
flat angles P-C4'-P energy: -3.941
tors. eta vs tors. theta energy: -5.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -242.894355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.894355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.894355 (E_RNA)
where:
Base-Base interactions energy: -157.551
where: short stacking energy: -76.294
Base-Backbone interact. energy: -0.679
local terms energy: -84.664411
where:
bonds (distance) C4'-P energy: -16.595
bonds (distance) P-C4' energy: -16.750
flat angles C4'-P-C4' energy: -18.322
flat angles P-C4'-P energy: -15.051
tors. eta vs tors. theta energy: -17.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -235.674586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.674586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.674586 (E_RNA)
where:
Base-Base interactions energy: -152.733
where: short stacking energy: -80.883
Base-Backbone interact. energy: -0.095
local terms energy: -82.846759
where:
bonds (distance) C4'-P energy: -17.642
bonds (distance) P-C4' energy: -20.448
flat angles C4'-P-C4' energy: -17.866
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -19.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -216.525453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.525453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.525453 (E_RNA)
where:
Base-Base interactions energy: -142.073
where: short stacking energy: -73.096
Base-Backbone interact. energy: -0.107
local terms energy: -74.345795
where:
bonds (distance) C4'-P energy: -12.718
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -11.867
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -18.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -215.690952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.690952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.690952 (E_RNA)
where:
Base-Base interactions energy: -137.752
where: short stacking energy: -58.323
Base-Backbone interact. energy: -0.147
local terms energy: -77.792350
where:
bonds (distance) C4'-P energy: -18.889
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -17.781
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -13.945
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: 5
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -173.408192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.408192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.408192 (E_RNA)
where:
Base-Base interactions energy: -102.640
where: short stacking energy: -57.442
Base-Backbone interact. energy: -0.822
local terms energy: -69.945338
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -16.971
flat angles C4'-P-C4' energy: -16.741
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -14.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -193.050873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.050873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.050873 (E_RNA)
where:
Base-Base interactions energy: -121.627
where: short stacking energy: -64.516
Base-Backbone interact. energy: -0.043
local terms energy: -71.381036
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -14.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -149.238149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.238149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.238149 (E_RNA)
where:
Base-Base interactions energy: -78.597
where: short stacking energy: -42.557
Base-Backbone interact. energy: -0.190
local terms energy: -70.451141
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -15.041
tors. eta vs tors. theta energy: -11.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -168.111328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.111328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.111328 (E_RNA)
where:
Base-Base interactions energy: -100.808
where: short stacking energy: -49.390
Base-Backbone interact. energy: 0.209
local terms energy: -67.512560
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -14.484
flat angles C4'-P-C4' energy: -12.938
flat angles P-C4'-P energy: -13.265
tors. eta vs tors. theta energy: -11.427
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: 10
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -158.854782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.854782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.854782 (E_RNA)
where:
Base-Base interactions energy: -91.428
where: short stacking energy: -53.619
Base-Backbone interact. energy: -0.175
local terms energy: -67.251829
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -7.599
tors. eta vs tors. theta energy: -18.124
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: 2
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -78.982026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.982026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.982026 (E_RNA)
where:
Base-Base interactions energy: -26.139
where: short stacking energy: -23.494
Base-Backbone interact. energy: 0.745
local terms energy: -53.587677
where:
bonds (distance) C4'-P energy: -13.107
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -0.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -247.270459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.270459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.270459 (E_RNA)
where:
Base-Base interactions energy: -157.786
where: short stacking energy: -76.472
Base-Backbone interact. energy: -0.114
local terms energy: -89.369893
where:
bonds (distance) C4'-P energy: -18.422
bonds (distance) P-C4' energy: -17.462
flat angles C4'-P-C4' energy: -21.733
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -21.141
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: 2, replica: 8
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -218.706608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.706608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.706608 (E_RNA)
where:
Base-Base interactions energy: -145.167
where: short stacking energy: -65.901
Base-Backbone interact. energy: -0.149
local terms energy: -73.391380
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -12.331
flat angles C4'-P-C4' energy: -20.386
flat angles P-C4'-P energy: -12.806
tors. eta vs tors. theta energy: -13.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -200.012284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.012284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.012284 (E_RNA)
where:
Base-Base interactions energy: -118.786
where: short stacking energy: -67.568
Base-Backbone interact. energy: -0.274
local terms energy: -80.951346
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -12.882
tors. eta vs tors. theta energy: -15.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -213.395676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.395676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.395676 (E_RNA)
where:
Base-Base interactions energy: -134.459
where: short stacking energy: -66.228
Base-Backbone interact. energy: -0.080
local terms energy: -78.856370
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -21.367
flat angles P-C4'-P energy: -7.770
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: 5, replica: 5
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -165.699032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.699032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.699032 (E_RNA)
where:
Base-Base interactions energy: -98.707
where: short stacking energy: -45.588
Base-Backbone interact. energy: -0.224
local terms energy: -66.768001
where:
bonds (distance) C4'-P energy: -14.580
bonds (distance) P-C4' energy: -12.831
flat angles C4'-P-C4' energy: -18.019
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -12.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -195.834869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.834869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.834869 (E_RNA)
where:
Base-Base interactions energy: -131.195
where: short stacking energy: -60.794
Base-Backbone interact. energy: -0.061
local terms energy: -64.578289
where:
bonds (distance) C4'-P energy: -18.995
bonds (distance) P-C4' energy: -18.137
flat angles C4'-P-C4' energy: -7.768
flat angles P-C4'-P energy: -7.146
tors. eta vs tors. theta energy: -12.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -172.776395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.776395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.776395 (E_RNA)
where:
Base-Base interactions energy: -98.880
where: short stacking energy: -51.220
Base-Backbone interact. energy: -0.676
local terms energy: -73.220011
where:
bonds (distance) C4'-P energy: -17.874
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -15.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -167.810341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.810341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.810341 (E_RNA)
where:
Base-Base interactions energy: -96.275
where: short stacking energy: -54.787
Base-Backbone interact. energy: -0.096
local terms energy: -71.439507
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -12.290
tors. eta vs tors. theta energy: -13.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -161.203213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.203213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.203213 (E_RNA)
where:
Base-Base interactions energy: -99.950
where: short stacking energy: -39.063
Base-Backbone interact. energy: -1.748
local terms energy: -59.505184
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -17.661
flat angles C4'-P-C4' energy: -19.146
flat angles P-C4'-P energy: -2.210
tors. eta vs tors. theta energy: -5.869
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: 2
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -124.903258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.903258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.903258 (E_RNA)
where:
Base-Base interactions energy: -62.745
where: short stacking energy: -31.707
Base-Backbone interact. energy: -0.210
local terms energy: -61.948237
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -11.537
flat angles P-C4'-P energy: -14.027
tors. eta vs tors. theta energy: -5.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -222.339810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.339810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.339810 (E_RNA)
where:
Base-Base interactions energy: -140.660
where: short stacking energy: -73.634
Base-Backbone interact. energy: -0.100
local terms energy: -81.579395
where:
bonds (distance) C4'-P energy: -16.779
bonds (distance) P-C4' energy: -15.890
flat angles C4'-P-C4' energy: -18.900
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -17.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -237.238665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.238665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.238665 (E_RNA)
where:
Base-Base interactions energy: -155.237
where: short stacking energy: -81.629
Base-Backbone interact. energy: -0.356
local terms energy: -81.646173
where:
bonds (distance) C4'-P energy: -17.457
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -21.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -229.821659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.821659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.821659 (E_RNA)
where:
Base-Base interactions energy: -150.295
where: short stacking energy: -72.190
Base-Backbone interact. energy: -0.179
local terms energy: -79.348226
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -17.818
flat angles P-C4'-P energy: -6.510
tors. eta vs tors. theta energy: -20.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -203.839858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.839858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.839858 (E_RNA)
where:
Base-Base interactions energy: -128.160
where: short stacking energy: -68.678
Base-Backbone interact. energy: -0.052
local terms energy: -75.627726
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -13.689
tors. eta vs tors. theta energy: -16.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -180.368322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.368322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.368322 (E_RNA)
where:
Base-Base interactions energy: -108.779
where: short stacking energy: -53.106
Base-Backbone interact. energy: -0.429
local terms energy: -71.160131
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -13.749
tors. eta vs tors. theta energy: -11.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -165.761152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.761152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.761152 (E_RNA)
where:
Base-Base interactions energy: -95.638
where: short stacking energy: -58.009
Base-Backbone interact. energy: -0.047
local terms energy: -70.076360
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -13.637
tors. eta vs tors. theta energy: -12.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -171.740149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.740149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.740149 (E_RNA)
where:
Base-Base interactions energy: -105.615
where: short stacking energy: -55.244
Base-Backbone interact. energy: -0.024
local terms energy: -66.101409
where:
bonds (distance) C4'-P energy: -9.730
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -14.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -174.459947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.459947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.459947 (E_RNA)
where:
Base-Base interactions energy: -110.489
where: short stacking energy: -54.116
Base-Backbone interact. energy: -0.133
local terms energy: -63.838249
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -5.232
tors. eta vs tors. theta energy: -10.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -146.870767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.870767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.870767 (E_RNA)
where:
Base-Base interactions energy: -88.882
where: short stacking energy: -36.962
Base-Backbone interact. energy: -0.419
local terms energy: -57.569959
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -8.816
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: 10, replica: 2
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -92.155560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.155560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.155560 (E_RNA)
where:
Base-Base interactions energy: -33.552
where: short stacking energy: -29.776
Base-Backbone interact. energy: -0.002
local terms energy: -58.601017
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -18.488
flat angles C4'-P-C4' energy: -19.479
flat angles P-C4'-P energy: -5.343
tors. eta vs tors. theta energy: -0.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -228.263851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.263851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.263851 (E_RNA)
where:
Base-Base interactions energy: -147.503
where: short stacking energy: -74.914
Base-Backbone interact. energy: -0.136
local terms energy: -80.624838
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -19.466
flat angles P-C4'-P energy: -12.428
tors. eta vs tors. theta energy: -16.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -243.238212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.238212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.238212 (E_RNA)
where:
Base-Base interactions energy: -164.145
where: short stacking energy: -76.626
Base-Backbone interact. energy: -0.099
local terms energy: -78.994025
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -18.542
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -19.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -235.896613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.896613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.896613 (E_RNA)
where:
Base-Base interactions energy: -154.634
where: short stacking energy: -80.088
Base-Backbone interact. energy: -0.076
local terms energy: -81.187174
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -19.593
flat angles P-C4'-P energy: -12.918
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: 4, replica: 9
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -214.687614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.687614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.687614 (E_RNA)
where:
Base-Base interactions energy: -144.255
where: short stacking energy: -68.006
Base-Backbone interact. energy: -0.407
local terms energy: -70.024816
where:
bonds (distance) C4'-P energy: -13.856
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -4.715
tors. eta vs tors. theta energy: -19.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -194.801608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.801608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.801608 (E_RNA)
where:
Base-Base interactions energy: -120.423
where: short stacking energy: -69.614
Base-Backbone interact. energy: -0.036
local terms energy: -74.342770
where:
bonds (distance) C4'-P energy: -11.152
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -19.051
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -17.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -162.584953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.584953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.584953 (E_RNA)
where:
Base-Base interactions energy: -100.709
where: short stacking energy: -58.972
Base-Backbone interact. energy: -0.180
local terms energy: -61.695822
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -16.200
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -8.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -152.978656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.978656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.978656 (E_RNA)
where:
Base-Base interactions energy: -86.701
where: short stacking energy: -52.800
Base-Backbone interact. energy: -0.082
local terms energy: -66.195140
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -19.475
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: -12.119
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: 7
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -167.196642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.196642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.196642 (E_RNA)
where:
Base-Base interactions energy: -102.327
where: short stacking energy: -59.081
Base-Backbone interact. energy: -0.082
local terms energy: -64.786895
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -12.086
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -12.775
tors. eta vs tors. theta energy: -13.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -155.460686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.460686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.460686 (E_RNA)
where:
Base-Base interactions energy: -85.621
where: short stacking energy: -43.272
Base-Backbone interact. energy: -0.610
local terms energy: -69.229057
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -12.976
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: 2
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -95.940449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.940449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.940449 (E_RNA)
where:
Base-Base interactions energy: -50.197
where: short stacking energy: -33.752
Base-Backbone interact. energy: -0.144
local terms energy: -45.599464
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -7.132
flat angles P-C4'-P energy: -0.318
tors. eta vs tors. theta energy: -6.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -230.378360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.378360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.378360 (E_RNA)
where:
Base-Base interactions energy: -151.107
where: short stacking energy: -72.573
Base-Backbone interact. energy: -0.090
local terms energy: -79.180769
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -20.049
flat angles P-C4'-P energy: -12.961
tors. eta vs tors. theta energy: -16.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -231.032761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.032761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.032761 (E_RNA)
where:
Base-Base interactions energy: -149.544
where: short stacking energy: -71.622
Base-Backbone interact. energy: -0.099
local terms energy: -81.390011
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -18.551
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -18.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -229.227709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.227709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.227709 (E_RNA)
where:
Base-Base interactions energy: -145.081
where: short stacking energy: -62.690
Base-Backbone interact. energy: -0.094
local terms energy: -84.053572
where:
bonds (distance) C4'-P energy: -18.420
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -18.562
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -18.476
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: 9
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -195.419111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.419111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.419111 (E_RNA)
where:
Base-Base interactions energy: -125.122
where: short stacking energy: -57.966
Base-Backbone interact. energy: -0.201
local terms energy: -70.095438
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -10.841
tors. eta vs tors. theta energy: -12.597
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: 10
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -176.889860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.889860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.889860 (E_RNA)
where:
Base-Base interactions energy: -103.404
where: short stacking energy: -58.694
Base-Backbone interact. energy: -0.107
local terms energy: -73.379617
where:
bonds (distance) C4'-P energy: -9.313
bonds (distance) P-C4' energy: -17.276
flat angles C4'-P-C4' energy: -19.204
flat angles P-C4'-P energy: -12.241
tors. eta vs tors. theta energy: -15.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -143.990479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.990479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.990479 (E_RNA)
where:
Base-Base interactions energy: -81.884
where: short stacking energy: -43.517
Base-Backbone interact. energy: -0.120
local terms energy: -61.986939
where:
bonds (distance) C4'-P energy: -13.144
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: -10.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -125.550245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.550245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.550245 (E_RNA)
where:
Base-Base interactions energy: -70.154
where: short stacking energy: -24.630
Base-Backbone interact. energy: -0.454
local terms energy: -54.942749
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: 1.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -166.348093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.348093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.348093 (E_RNA)
where:
Base-Base interactions energy: -105.872
where: short stacking energy: -58.184
Base-Backbone interact. energy: -0.273
local terms energy: -60.203404
where:
bonds (distance) C4'-P energy: -10.291
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -9.489
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: 2
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -94.875484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.875484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.875484 (E_RNA)
where:
Base-Base interactions energy: -35.428
where: short stacking energy: -33.123
Base-Backbone interact. energy: -0.050
local terms energy: -59.397472
where:
bonds (distance) C4'-P energy: -9.379
bonds (distance) P-C4' energy: -19.289
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -5.999
tors. eta vs tors. theta energy: -8.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -164.481798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.481798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.481798 (E_RNA)
where:
Base-Base interactions energy: -99.257
where: short stacking energy: -50.759
Base-Backbone interact. energy: -0.146
local terms energy: -65.078686
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -12.248
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -15.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -237.890411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.890411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.890411 (E_RNA)
where:
Base-Base interactions energy: -155.299
where: short stacking energy: -65.834
Base-Backbone interact. energy: -0.535
local terms energy: -82.055952
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -19.675
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -18.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -231.475249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.475249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.475249 (E_RNA)
where:
Base-Base interactions energy: -151.860
where: short stacking energy: -74.596
Base-Backbone interact. energy: -0.133
local terms energy: -79.482212
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -19.107
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -10.735
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: 3, replica: 8
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -222.766181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.766181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.766181 (E_RNA)
where:
Base-Base interactions energy: -138.018
where: short stacking energy: -67.300
Base-Backbone interact. energy: -0.126
local terms energy: -84.621887
where:
bonds (distance) C4'-P energy: -20.018
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -19.301
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: -17.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -207.770508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.770508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.770508 (E_RNA)
where:
Base-Base interactions energy: -139.766
where: short stacking energy: -55.143
Base-Backbone interact. energy: -0.126
local terms energy: -67.877786
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -12.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -177.215877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.215877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.215877 (E_RNA)
where:
Base-Base interactions energy: -100.046
where: short stacking energy: -61.332
Base-Backbone interact. energy: -0.001
local terms energy: -77.168277
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -20.330
flat angles C4'-P-C4' energy: -12.148
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -17.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -153.840809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.840809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.840809 (E_RNA)
where:
Base-Base interactions energy: -85.029
where: short stacking energy: -39.824
Base-Backbone interact. energy: 0.078
local terms energy: -68.890527
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -17.565
flat angles C4'-P-C4' energy: -10.137
flat angles P-C4'-P energy: -12.892
tors. eta vs tors. theta energy: -11.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -144.389869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.389869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.389869 (E_RNA)
where:
Base-Base interactions energy: -73.599
where: short stacking energy: -47.023
Base-Backbone interact. energy: -0.196
local terms energy: -70.594918
where:
bonds (distance) C4'-P energy: -13.935
bonds (distance) P-C4' energy: -20.014
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -13.677
tors. eta vs tors. theta energy: -10.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -164.363921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.363921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.363921 (E_RNA)
where:
Base-Base interactions energy: -93.949
where: short stacking energy: -48.007
Base-Backbone interact. energy: -0.009
local terms energy: -70.405054
where:
bonds (distance) C4'-P energy: -17.713
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -18.760
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -7.065
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: 2
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -104.993142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.993142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.993142 (E_RNA)
where:
Base-Base interactions energy: -44.609
where: short stacking energy: -44.572
Base-Backbone interact. energy: 0.071
local terms energy: -60.454827
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -11.222
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -10.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -146.902393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.902393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.902393 (E_RNA)
where:
Base-Base interactions energy: -80.193
where: short stacking energy: -38.975
Base-Backbone interact. energy: -0.362
local terms energy: -66.347064
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -4.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -235.315723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.315723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.315723 (E_RNA)
where:
Base-Base interactions energy: -155.366
where: short stacking energy: -70.698
Base-Backbone interact. energy: -0.108
local terms energy: -79.841354
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -19.317
flat angles C4'-P-C4' energy: -19.973
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -18.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -233.815205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.815205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.815205 (E_RNA)
where:
Base-Base interactions energy: -146.478
where: short stacking energy: -72.730
Base-Backbone interact. energy: -0.103
local terms energy: -87.233853
where:
bonds (distance) C4'-P energy: -17.526
bonds (distance) P-C4' energy: -19.750
flat angles C4'-P-C4' energy: -18.036
flat angles P-C4'-P energy: -12.504
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: 3, replica: 9
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -212.040794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.040794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.040794 (E_RNA)
where:
Base-Base interactions energy: -133.766
where: short stacking energy: -60.761
Base-Backbone interact. energy: -1.194
local terms energy: -77.080667
where:
bonds (distance) C4'-P energy: -16.776
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -17.592
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -16.860
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: 8
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -213.540110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.540110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.540110 (E_RNA)
where:
Base-Base interactions energy: -145.602
where: short stacking energy: -73.327
Base-Backbone interact. energy: -0.234
local terms energy: -67.703374
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -9.713
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -20.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -151.973613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.973613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.973613 (E_RNA)
where:
Base-Base interactions energy: -81.687
where: short stacking energy: -37.796
Base-Backbone interact. energy: -0.136
local terms energy: -70.150311
where:
bonds (distance) C4'-P energy: -19.957
bonds (distance) P-C4' energy: -20.638
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -6.687
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: 10
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -170.288218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.288218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.288218 (E_RNA)
where:
Base-Base interactions energy: -93.710
where: short stacking energy: -60.174
Base-Backbone interact. energy: 0.258
local terms energy: -76.836528
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -17.811
flat angles C4'-P-C4' energy: -15.720
flat angles P-C4'-P energy: -10.948
tors. eta vs tors. theta energy: -14.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -174.473677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.473677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.473677 (E_RNA)
where:
Base-Base interactions energy: -105.152
where: short stacking energy: -53.754
Base-Backbone interact. energy: -0.057
local terms energy: -69.264929
where:
bonds (distance) C4'-P energy: -11.492
bonds (distance) P-C4' energy: -18.298
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -16.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -128.872327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.872327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.872327 (E_RNA)
where:
Base-Base interactions energy: -69.809
where: short stacking energy: -35.622
Base-Backbone interact. energy: -0.141
local terms energy: -58.922898
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -15.239
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -2.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -155.795538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.795538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.795538 (E_RNA)
where:
Base-Base interactions energy: -95.280
where: short stacking energy: -39.517
Base-Backbone interact. energy: -0.305
local terms energy: -60.210212
where:
bonds (distance) C4'-P energy: -19.191
bonds (distance) P-C4' energy: -15.500
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -5.672
tors. eta vs tors. theta energy: -4.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -89.484453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.484453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.484453 (E_RNA)
where:
Base-Base interactions energy: -33.552
where: short stacking energy: -32.250
Base-Backbone interact. energy: -0.132
local terms energy: -55.800141
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -1.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -226.784529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.784529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.784529 (E_RNA)
where:
Base-Base interactions energy: -144.382
where: short stacking energy: -59.571
Base-Backbone interact. energy: -0.262
local terms energy: -82.140497
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -18.526
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -16.157
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: 9
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -216.602626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.602626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.602626 (E_RNA)
where:
Base-Base interactions energy: -134.799
where: short stacking energy: -60.503
Base-Backbone interact. energy: -0.528
local terms energy: -81.275826
where:
bonds (distance) C4'-P energy: -18.918
bonds (distance) P-C4' energy: -19.976
flat angles C4'-P-C4' energy: -18.771
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -12.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -225.768521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.768521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.768521 (E_RNA)
where:
Base-Base interactions energy: -148.956
where: short stacking energy: -79.984
Base-Backbone interact. energy: -0.306
local terms energy: -76.505590
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -21.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -205.187121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.187121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.187121 (E_RNA)
where:
Base-Base interactions energy: -125.082
where: short stacking energy: -70.916
Base-Backbone interact. energy: -0.008
local terms energy: -80.097331
where:
bonds (distance) C4'-P energy: -20.098
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -9.128
tors. eta vs tors. theta energy: -17.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -161.487029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.487029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.487029 (E_RNA)
where:
Base-Base interactions energy: -85.178
where: short stacking energy: -47.650
Base-Backbone interact. energy: -0.106
local terms energy: -76.202891
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -17.564
flat angles P-C4'-P energy: -14.979
tors. eta vs tors. theta energy: -11.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -184.271849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.271849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.271849 (E_RNA)
where:
Base-Base interactions energy: -119.713
where: short stacking energy: -54.862
Base-Backbone interact. energy: -0.097
local terms energy: -64.461577
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -13.072
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: -16.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -169.101295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.101295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.101295 (E_RNA)
where:
Base-Base interactions energy: -104.390
where: short stacking energy: -66.672
Base-Backbone interact. energy: -0.107
local terms energy: -64.603633
where:
bonds (distance) C4'-P energy: -11.719
bonds (distance) P-C4' energy: -12.351
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -14.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -162.472391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.472391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.472391 (E_RNA)
where:
Base-Base interactions energy: -104.387
where: short stacking energy: -50.519
Base-Backbone interact. energy: -0.318
local terms energy: -57.767235
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -13.693
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -7.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -102.691779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.691779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.691779 (E_RNA)
where:
Base-Base interactions energy: -48.769
where: short stacking energy: -37.110
Base-Backbone interact. energy: -0.025
local terms energy: -53.897692
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -13.436
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -4.967
tors. eta vs tors. theta energy: -6.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -87.934585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.934585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.934585 (E_RNA)
where:
Base-Base interactions energy: -35.887
where: short stacking energy: -27.920
Base-Backbone interact. energy: -0.247
local terms energy: -51.800939
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -8.998
flat angles P-C4'-P energy: -9.249
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: 1, replica: 9
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -225.341280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.341280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.341280 (E_RNA)
where:
Base-Base interactions energy: -145.707
where: short stacking energy: -70.692
Base-Backbone interact. energy: -2.687
local terms energy: -76.947052
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -11.570
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: 2, replica: 6
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -222.706599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.706599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.706599 (E_RNA)
where:
Base-Base interactions energy: -146.162
where: short stacking energy: -63.227
Base-Backbone interact. energy: -0.564
local terms energy: -75.980141
where:
bonds (distance) C4'-P energy: -15.579
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -14.760
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: 68
Temperature: 1.000000
Total energy: -229.885835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.885835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.885835 (E_RNA)
where:
Base-Base interactions energy: -151.829
where: short stacking energy: -76.024
Base-Backbone interact. energy: -0.074
local terms energy: -77.982573
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -17.032
flat angles C4'-P-C4' energy: -18.447
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -18.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -212.273483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.273483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.273483 (E_RNA)
where:
Base-Base interactions energy: -136.202
where: short stacking energy: -60.828
Base-Backbone interact. energy: 0.048
local terms energy: -76.119254
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -13.950
flat angles C4'-P-C4' energy: -20.404
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -15.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -182.018952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.018952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.018952 (E_RNA)
where:
Base-Base interactions energy: -110.112
where: short stacking energy: -54.935
Base-Backbone interact. energy: -0.395
local terms energy: -71.512202
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -18.876
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -12.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -179.504245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.504245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.504245 (E_RNA)
where:
Base-Base interactions energy: -115.295
where: short stacking energy: -67.892
Base-Backbone interact. energy: -0.107
local terms energy: -64.102103
where:
bonds (distance) C4'-P energy: -10.117
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -8.066
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: 3
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -162.514137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.514137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.514137 (E_RNA)
where:
Base-Base interactions energy: -94.342
where: short stacking energy: -44.144
Base-Backbone interact. energy: 1.101
local terms energy: -69.273564
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -17.727
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -11.808
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: 8, replica: 10
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -147.068514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.068514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.068514 (E_RNA)
where:
Base-Base interactions energy: -78.298
where: short stacking energy: -37.378
Base-Backbone interact. energy: -0.334
local terms energy: -68.436953
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -9.022
tors. eta vs tors. theta energy: -9.638
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: 2
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -99.243104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.243104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.243104 (E_RNA)
where:
Base-Base interactions energy: -37.902
where: short stacking energy: -37.902
Base-Backbone interact. energy: -0.228
local terms energy: -61.112847
where:
bonds (distance) C4'-P energy: -15.714
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -12.413
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -5.814
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: 10, replica: 5
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -98.088542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.088542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.088542 (E_RNA)
where:
Base-Base interactions energy: -33.570
where: short stacking energy: -32.755
Base-Backbone interact. energy: -0.027
local terms energy: -64.491213
where:
bonds (distance) C4'-P energy: -19.502
bonds (distance) P-C4' energy: -17.745
flat angles C4'-P-C4' energy: -12.483
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -6.709
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: 69
Temperature: 0.900000
Total energy: -229.954971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.954971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.954971 (E_RNA)
where:
Base-Base interactions energy: -146.228
where: short stacking energy: -69.402
Base-Backbone interact. energy: -0.149
local terms energy: -83.578224
where:
bonds (distance) C4'-P energy: -18.687
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -18.856
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -16.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -229.273353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.273353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.273353 (E_RNA)
where:
Base-Base interactions energy: -146.271
where: short stacking energy: -63.319
Base-Backbone interact. energy: -0.138
local terms energy: -82.864454
where:
bonds (distance) C4'-P energy: -16.778
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -18.702
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -17.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -209.127340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.127340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.127340 (E_RNA)
where:
Base-Base interactions energy: -130.724
where: short stacking energy: -62.579
Base-Backbone interact. energy: 0.077
local terms energy: -78.480553
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -17.755
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -16.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -208.989326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.989326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.989326 (E_RNA)
where:
Base-Base interactions energy: -139.072
where: short stacking energy: -55.084
Base-Backbone interact. energy: -0.202
local terms energy: -69.716121
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -15.027
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -11.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -182.964205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.964205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.964205 (E_RNA)
where:
Base-Base interactions energy: -108.000
where: short stacking energy: -58.707
Base-Backbone interact. energy: -0.400
local terms energy: -74.563689
where:
bonds (distance) C4'-P energy: -14.685
bonds (distance) P-C4' energy: -16.571
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -17.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -200.317389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.317389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.317389 (E_RNA)
where:
Base-Base interactions energy: -120.650
where: short stacking energy: -57.247
Base-Backbone interact. energy: -0.164
local terms energy: -79.503333
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -13.407
tors. eta vs tors. theta energy: -14.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -177.165193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.165193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.165193 (E_RNA)
where:
Base-Base interactions energy: -109.438
where: short stacking energy: -57.753
Base-Backbone interact. energy: -0.006
local terms energy: -67.721338
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -17.718
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -12.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -121.903426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.903426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.903426 (E_RNA)
where:
Base-Base interactions energy: -67.926
where: short stacking energy: -37.716
Base-Backbone interact. energy: 1.130
local terms energy: -55.106836
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -10.241
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -4.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -92.954855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.954855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.954855 (E_RNA)
where:
Base-Base interactions energy: -32.097
where: short stacking energy: -16.020
Base-Backbone interact. energy: -0.544
local terms energy: -60.313499
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -18.826
flat angles C4'-P-C4' energy: -12.404
flat angles P-C4'-P energy: -13.656
tors. eta vs tors. theta energy: 0.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -88.880967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.880967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.880967 (E_RNA)
where:
Base-Base interactions energy: -37.415
where: short stacking energy: -37.415
Base-Backbone interact. energy: -0.033
local terms energy: -51.432977
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -4.487
tors. eta vs tors. theta energy: -1.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -234.484984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.484984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.484984 (E_RNA)
where:
Base-Base interactions energy: -152.876
where: short stacking energy: -67.868
Base-Backbone interact. energy: -0.099
local terms energy: -81.509881
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -18.850
flat angles C4'-P-C4' energy: -18.289
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -16.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -223.191430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.191430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.191430 (E_RNA)
where:
Base-Base interactions energy: -144.243
where: short stacking energy: -75.455
Base-Backbone interact. energy: -0.248
local terms energy: -78.700266
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -19.873
flat angles C4'-P-C4' energy: -15.474
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -20.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -209.445676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.445676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.445676 (E_RNA)
where:
Base-Base interactions energy: -127.512
where: short stacking energy: -56.234
Base-Backbone interact. energy: 0.397
local terms energy: -82.330154
where:
bonds (distance) C4'-P energy: -16.502
bonds (distance) P-C4' energy: -19.267
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: -16.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -216.342749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.342749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.342749 (E_RNA)
where:
Base-Base interactions energy: -137.046
where: short stacking energy: -72.067
Base-Backbone interact. energy: -0.341
local terms energy: -78.956487
where:
bonds (distance) C4'-P energy: -17.673
bonds (distance) P-C4' energy: -18.795
flat angles C4'-P-C4' energy: -19.964
flat angles P-C4'-P energy: -2.005
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: 5, replica: 3
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -198.320545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.320545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.320545 (E_RNA)
where:
Base-Base interactions energy: -127.588
where: short stacking energy: -56.565
Base-Backbone interact. energy: 0.065
local terms energy: -70.797338
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -18.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -177.213309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.213309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.213309 (E_RNA)
where:
Base-Base interactions energy: -107.693
where: short stacking energy: -53.121
Base-Backbone interact. energy: -0.259
local terms energy: -69.261057
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -11.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -134.286638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.286638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.286638 (E_RNA)
where:
Base-Base interactions energy: -71.573
where: short stacking energy: -46.497
Base-Backbone interact. energy: -0.106
local terms energy: -62.607001
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -10.869
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: 8, replica: 1
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -150.940777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.940777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.940777 (E_RNA)
where:
Base-Base interactions energy: -87.227
where: short stacking energy: -38.666
Base-Backbone interact. energy: -0.270
local terms energy: -63.443835
where:
bonds (distance) C4'-P energy: -18.681
bonds (distance) P-C4' energy: -13.791
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -13.774
tors. eta vs tors. theta energy: -4.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -87.944470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.944470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.944470 (E_RNA)
where:
Base-Base interactions energy: -35.765
where: short stacking energy: -10.556
Base-Backbone interact. energy: 0.047
local terms energy: -52.226872
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: 1.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -80.001880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.001880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.001880 (E_RNA)
where:
Base-Base interactions energy: -21.411
where: short stacking energy: -21.411
Base-Backbone interact. energy: -0.237
local terms energy: -58.353593
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -18.456
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -7.981
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: 6
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -251.754495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.754495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.754495 (E_RNA)
where:
Base-Base interactions energy: -173.817
where: short stacking energy: -84.600
Base-Backbone interact. energy: -0.097
local terms energy: -77.840652
where:
bonds (distance) C4'-P energy: -13.372
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -21.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -220.207413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.207413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.207413 (E_RNA)
where:
Base-Base interactions energy: -146.649
where: short stacking energy: -68.901
Base-Backbone interact. energy: -0.155
local terms energy: -73.403325
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -14.900
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -15.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -227.905245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.905245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.905245 (E_RNA)
where:
Base-Base interactions energy: -147.212
where: short stacking energy: -68.085
Base-Backbone interact. energy: -0.999
local terms energy: -79.694427
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -20.067
flat angles P-C4'-P energy: -5.813
tors. eta vs tors. theta energy: -17.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -226.029418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.029418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.029418 (E_RNA)
where:
Base-Base interactions energy: -142.941
where: short stacking energy: -72.050
Base-Backbone interact. energy: -0.001
local terms energy: -83.087446
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -20.521
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -8.089
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: 5, replica: 4
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -207.034517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.034517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.034517 (E_RNA)
where:
Base-Base interactions energy: -125.486
where: short stacking energy: -76.966
Base-Backbone interact. energy: -0.098
local terms energy: -81.450456
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -13.828
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: 6, replica: 7
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -185.749197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.749197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.749197 (E_RNA)
where:
Base-Base interactions energy: -113.636
where: short stacking energy: -55.993
Base-Backbone interact. energy: 2.027
local terms energy: -74.139788
where:
bonds (distance) C4'-P energy: -18.292
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -14.992
tors. eta vs tors. theta energy: -11.395
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: 2
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -99.735333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.735333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.735333 (E_RNA)
where:
Base-Base interactions energy: -36.940
where: short stacking energy: -36.257
Base-Backbone interact. energy: 0.680
local terms energy: -63.474482
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -7.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -105.015845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.015845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.015845 (E_RNA)
where:
Base-Base interactions energy: -46.780
where: short stacking energy: -46.780
Base-Backbone interact. energy: -0.070
local terms energy: -58.165301
where:
bonds (distance) C4'-P energy: -18.350
bonds (distance) P-C4' energy: -13.087
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -7.919
tors. eta vs tors. theta energy: -4.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -122.687992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.687992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.687992 (E_RNA)
where:
Base-Base interactions energy: -75.665
where: short stacking energy: -33.233
Base-Backbone interact. energy: -0.223
local terms energy: -46.799780
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -2.902
tors. eta vs tors. theta energy: -3.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -82.952134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.952134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.952134 (E_RNA)
where:
Base-Base interactions energy: -24.729
where: short stacking energy: -24.729
Base-Backbone interact. energy: 2.561
local terms energy: -60.783833
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -12.321
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: 1, replica: 6
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -244.836266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.836266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.836266 (E_RNA)
where:
Base-Base interactions energy: -171.010
where: short stacking energy: -74.024
Base-Backbone interact. energy: -0.150
local terms energy: -73.676262
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -12.739
tors. eta vs tors. theta energy: -17.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -227.454172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.454172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.454172 (E_RNA)
where:
Base-Base interactions energy: -145.595
where: short stacking energy: -71.748
Base-Backbone interact. energy: -0.118
local terms energy: -81.740693
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -19.298
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -13.297
tors. eta vs tors. theta energy: -17.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -218.600306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.600306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.600306 (E_RNA)
where:
Base-Base interactions energy: -130.909
where: short stacking energy: -70.517
Base-Backbone interact. energy: -0.406
local terms energy: -87.285877
where:
bonds (distance) C4'-P energy: -19.125
bonds (distance) P-C4' energy: -16.095
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -13.953
tors. eta vs tors. theta energy: -22.482
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: 4, replica: 8
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -199.157343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.157343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.157343 (E_RNA)
where:
Base-Base interactions energy: -124.304
where: short stacking energy: -56.669
Base-Backbone interact. energy: -0.080
local terms energy: -74.773215
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -19.070
flat angles C4'-P-C4' energy: -17.839
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -15.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -175.025897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.025897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.025897 (E_RNA)
where:
Base-Base interactions energy: -98.643
where: short stacking energy: -48.535
Base-Backbone interact. energy: -0.006
local terms energy: -76.377061
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -17.849
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -16.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -202.851008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.851008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.851008 (E_RNA)
where:
Base-Base interactions energy: -129.406
where: short stacking energy: -72.196
Base-Backbone interact. energy: -0.344
local terms energy: -73.100447
where:
bonds (distance) C4'-P energy: -9.756
bonds (distance) P-C4' energy: -18.589
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -19.203
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: 72
Temperature: 1.200000
Total energy: -110.240097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.240097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.240097 (E_RNA)
where:
Base-Base interactions energy: -46.850
where: short stacking energy: -46.850
Base-Backbone interact. energy: -0.010
local terms energy: -63.380954
where:
bonds (distance) C4'-P energy: -16.649
bonds (distance) P-C4' energy: -12.823
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: -10.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -97.813220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.813220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.813220 (E_RNA)
where:
Base-Base interactions energy: -37.228
where: short stacking energy: -37.228
Base-Backbone interact. energy: -0.122
local terms energy: -60.463099
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -6.951
tors. eta vs tors. theta energy: -3.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -82.498116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.498116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.498116 (E_RNA)
where:
Base-Base interactions energy: -37.146
where: short stacking energy: -29.518
Base-Backbone interact. energy: 1.074
local terms energy: -46.425735
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -18.047
flat angles C4'-P-C4' energy: -7.653
flat angles P-C4'-P energy: -8.381
tors. eta vs tors. theta energy: 1.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -129.687466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.687466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.687466 (E_RNA)
where:
Base-Base interactions energy: -76.570
where: short stacking energy: -31.941
Base-Backbone interact. energy: -0.184
local terms energy: -52.933405
where:
bonds (distance) C4'-P energy: -18.906
bonds (distance) P-C4' energy: -18.466
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -3.038
tors. eta vs tors. theta energy: -1.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -238.778119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.778119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.778119 (E_RNA)
where:
Base-Base interactions energy: -158.902
where: short stacking energy: -74.771
Base-Backbone interact. energy: -0.216
local terms energy: -79.660857
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -18.968
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -14.586
tors. eta vs tors. theta energy: -17.111
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: 73
Temperature: 0.950000
Total energy: -206.069247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.069247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.069247 (E_RNA)
where:
Base-Base interactions energy: -132.152
where: short stacking energy: -60.909
Base-Backbone interact. energy: -0.020
local terms energy: -73.897181
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -19.439
flat angles C4'-P-C4' energy: -17.844
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -15.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -217.097959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.097959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.097959 (E_RNA)
where:
Base-Base interactions energy: -145.039
where: short stacking energy: -66.323
Base-Backbone interact. energy: -0.128
local terms energy: -71.930749
where:
bonds (distance) C4'-P energy: -10.724
bonds (distance) P-C4' energy: -16.591
flat angles C4'-P-C4' energy: -20.116
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -15.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -214.939069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.939069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.939069 (E_RNA)
where:
Base-Base interactions energy: -144.818
where: short stacking energy: -66.137
Base-Backbone interact. energy: -0.316
local terms energy: -69.805490
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -12.779
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -14.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -173.342631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.342631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.342631 (E_RNA)
where:
Base-Base interactions energy: -105.939
where: short stacking energy: -59.961
Base-Backbone interact. energy: 0.438
local terms energy: -67.841758
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -8.763
tors. eta vs tors. theta energy: -12.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -195.351192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.351192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.351192 (E_RNA)
where:
Base-Base interactions energy: -121.487
where: short stacking energy: -57.875
Base-Backbone interact. energy: -0.074
local terms energy: -73.790106
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -19.039
flat angles P-C4'-P energy: -6.073
tors. eta vs tors. theta energy: -13.563
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: 2
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -99.243985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.243985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.243985 (E_RNA)
where:
Base-Base interactions energy: -39.161
where: short stacking energy: -35.537
Base-Backbone interact. energy: -0.220
local terms energy: -59.863447
where:
bonds (distance) C4'-P energy: -10.798
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -17.860
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -4.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -95.828344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.828344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.828344 (E_RNA)
where:
Base-Base interactions energy: -34.531
where: short stacking energy: -34.531
Base-Backbone interact. energy: -0.551
local terms energy: -60.746342
where:
bonds (distance) C4'-P energy: -18.627
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -2.613
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: 5
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -98.398660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.398660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.398660 (E_RNA)
where:
Base-Base interactions energy: -36.699
where: short stacking energy: -36.699
Base-Backbone interact. energy: -0.425
local terms energy: -61.274671
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -10.109
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -13.673
tors. eta vs tors. theta energy: -9.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -82.677834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.677834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.677834 (E_RNA)
where:
Base-Base interactions energy: -34.028
where: short stacking energy: -34.028
Base-Backbone interact. energy: -0.143
local terms energy: -48.507408
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -18.467
flat angles C4'-P-C4' energy: -10.860
flat angles P-C4'-P energy: -3.955
tors. eta vs tors. theta energy: -2.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -241.699222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.699222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.699222 (E_RNA)
where:
Base-Base interactions energy: -158.219
where: short stacking energy: -78.008
Base-Backbone interact. energy: -0.163
local terms energy: -83.316930
where:
bonds (distance) C4'-P energy: -16.668
bonds (distance) P-C4' energy: -18.261
flat angles C4'-P-C4' energy: -18.061
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -19.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -225.468446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.468446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.468446 (E_RNA)
where:
Base-Base interactions energy: -136.836
where: short stacking energy: -81.701
Base-Backbone interact. energy: -0.031
local terms energy: -88.601334
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -13.876
tors. eta vs tors. theta energy: -26.562
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: 3, replica: 8
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -213.806488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.806488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.806488 (E_RNA)
where:
Base-Base interactions energy: -139.384
where: short stacking energy: -67.499
Base-Backbone interact. energy: -0.481
local terms energy: -73.941215
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -14.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -216.567624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.567624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.567624 (E_RNA)
where:
Base-Base interactions energy: -134.911
where: short stacking energy: -60.716
Base-Backbone interact. energy: 0.179
local terms energy: -81.835395
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -14.312
tors. eta vs tors. theta energy: -17.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -200.847511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.847511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.847511 (E_RNA)
where:
Base-Base interactions energy: -127.153
where: short stacking energy: -67.295
Base-Backbone interact. energy: -0.122
local terms energy: -73.572508
where:
bonds (distance) C4'-P energy: -11.934
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: -21.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -167.998041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.998041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.998041 (E_RNA)
where:
Base-Base interactions energy: -100.083
where: short stacking energy: -56.171
Base-Backbone interact. energy: -0.153
local terms energy: -67.762248
where:
bonds (distance) C4'-P energy: -19.062
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -17.205
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -6.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -113.420550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.420550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.420550 (E_RNA)
where:
Base-Base interactions energy: -63.568
where: short stacking energy: -39.581
Base-Backbone interact. energy: 0.962
local terms energy: -50.814649
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -15.027
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -4.638
tors. eta vs tors. theta energy: -1.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -110.407144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.407144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.407144 (E_RNA)
where:
Base-Base interactions energy: -53.063
where: short stacking energy: -37.621
Base-Backbone interact. energy: -0.694
local terms energy: -56.650390
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -11.196
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -2.189
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: 5
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -85.751142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.751142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.751142 (E_RNA)
where:
Base-Base interactions energy: -27.594
where: short stacking energy: -27.594
Base-Backbone interact. energy: -0.057
local terms energy: -58.099964
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -16.938
flat angles C4'-P-C4' energy: -9.964
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -4.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -78.121243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.121243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.121243 (E_RNA)
where:
Base-Base interactions energy: -23.815
where: short stacking energy: -23.815
Base-Backbone interact. energy: -0.089
local terms energy: -54.217268
where:
bonds (distance) C4'-P energy: -7.782
bonds (distance) P-C4' energy: -18.039
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -11.759
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: 1, replica: 6
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -249.598949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.598949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.598949 (E_RNA)
where:
Base-Base interactions energy: -158.792
where: short stacking energy: -75.421
Base-Backbone interact. energy: 0.562
local terms energy: -91.368439
where:
bonds (distance) C4'-P energy: -19.175
bonds (distance) P-C4' energy: -20.177
flat angles C4'-P-C4' energy: -19.369
flat angles P-C4'-P energy: -13.672
tors. eta vs tors. theta energy: -18.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -217.838969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.838969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.838969 (E_RNA)
where:
Base-Base interactions energy: -137.842
where: short stacking energy: -66.748
Base-Backbone interact. energy: -0.165
local terms energy: -79.831440
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -20.073
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -21.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -211.141001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.141001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.141001 (E_RNA)
where:
Base-Base interactions energy: -138.291
where: short stacking energy: -61.438
Base-Backbone interact. energy: -0.172
local terms energy: -72.678597
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -18.107
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -13.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -206.200759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.200759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.200759 (E_RNA)
where:
Base-Base interactions energy: -128.350
where: short stacking energy: -69.296
Base-Backbone interact. energy: -0.212
local terms energy: -77.638636
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -19.877
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: -19.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -195.985691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.985691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.985691 (E_RNA)
where:
Base-Base interactions energy: -125.777
where: short stacking energy: -54.646
Base-Backbone interact. energy: -0.150
local terms energy: -70.059182
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -10.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -158.350021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.350021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.350021 (E_RNA)
where:
Base-Base interactions energy: -94.966
where: short stacking energy: -40.508
Base-Backbone interact. energy: -0.211
local terms energy: -63.173489
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -18.086
flat angles C4'-P-C4' energy: -17.697
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -5.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -102.693116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.693116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.693116 (E_RNA)
where:
Base-Base interactions energy: -39.861
where: short stacking energy: -35.601
Base-Backbone interact. energy: -0.104
local terms energy: -62.728299
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -20.366
flat angles C4'-P-C4' energy: -18.455
flat angles P-C4'-P energy: -4.626
tors. eta vs tors. theta energy: -5.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -105.156754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.156754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.156754 (E_RNA)
where:
Base-Base interactions energy: -36.732
where: short stacking energy: -36.732
Base-Backbone interact. energy: -0.153
local terms energy: -68.272411
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -17.154
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -12.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -94.645380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.645380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.645380 (E_RNA)
where:
Base-Base interactions energy: -36.402
where: short stacking energy: -32.003
Base-Backbone interact. energy: -0.143
local terms energy: -58.100206
where:
bonds (distance) C4'-P energy: -17.721
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -2.165
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: 1
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -91.889601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.889601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.889601 (E_RNA)
where:
Base-Base interactions energy: -42.555
where: short stacking energy: -32.248
Base-Backbone interact. energy: -0.161
local terms energy: -49.173851
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -5.319
tors. eta vs tors. theta energy: -2.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -238.068657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.068657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.068657 (E_RNA)
where:
Base-Base interactions energy: -156.417
where: short stacking energy: -71.057
Base-Backbone interact. energy: -0.099
local terms energy: -81.553367
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -19.390
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: -17.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -228.494770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.494770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.494770 (E_RNA)
where:
Base-Base interactions energy: -145.190
where: short stacking energy: -61.564
Base-Backbone interact. energy: 0.467
local terms energy: -83.772191
where:
bonds (distance) C4'-P energy: -18.482
bonds (distance) P-C4' energy: -20.154
flat angles C4'-P-C4' energy: -20.491
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -15.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -216.996386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.996386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.996386 (E_RNA)
where:
Base-Base interactions energy: -134.092
where: short stacking energy: -59.098
Base-Backbone interact. energy: -0.125
local terms energy: -82.778950
where:
bonds (distance) C4'-P energy: -12.066
bonds (distance) P-C4' energy: -20.878
flat angles C4'-P-C4' energy: -20.726
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -18.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -210.915123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.915123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.915123 (E_RNA)
where:
Base-Base interactions energy: -142.184
where: short stacking energy: -58.581
Base-Backbone interact. energy: -0.112
local terms energy: -68.618790
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -11.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -176.688350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.688350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.688350 (E_RNA)
where:
Base-Base interactions energy: -101.547
where: short stacking energy: -46.493
Base-Backbone interact. energy: -0.294
local terms energy: -74.847986
where:
bonds (distance) C4'-P energy: -16.931
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -14.394
tors. eta vs tors. theta energy: -10.529
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: 9
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -179.250200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.250200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.250200 (E_RNA)
where:
Base-Base interactions energy: -113.730
where: short stacking energy: -53.329
Base-Backbone interact. energy: -0.193
local terms energy: -65.327705
where:
bonds (distance) C4'-P energy: -18.426
bonds (distance) P-C4' energy: -14.484
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -9.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -112.110580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.110580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.110580 (E_RNA)
where:
Base-Base interactions energy: -42.180
where: short stacking energy: -42.050
Base-Backbone interact. energy: -0.209
local terms energy: -69.721959
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -9.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -94.106130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.106130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.106130 (E_RNA)
where:
Base-Base interactions energy: -43.636
where: short stacking energy: -39.287
Base-Backbone interact. energy: -0.278
local terms energy: -50.192175
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -4.509
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -7.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -98.800703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.800703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.800703 (E_RNA)
where:
Base-Base interactions energy: -43.759
where: short stacking energy: -23.022
Base-Backbone interact. energy: -0.422
local terms energy: -54.619547
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -10.126
flat angles P-C4'-P energy: -12.902
tors. eta vs tors. theta energy: -1.309
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: 2
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -82.330492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.330492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.330492 (E_RNA)
where:
Base-Base interactions energy: -42.168
where: short stacking energy: -38.275
Base-Backbone interact. energy: -0.113
local terms energy: -40.049426
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -8.165
flat angles P-C4'-P energy: -5.984
tors. eta vs tors. theta energy: 1.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -234.514171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.514171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.514171 (E_RNA)
where:
Base-Base interactions energy: -149.706
where: short stacking energy: -67.472
Base-Backbone interact. energy: -0.475
local terms energy: -84.333451
where:
bonds (distance) C4'-P energy: -19.104
bonds (distance) P-C4' energy: -19.525
flat angles C4'-P-C4' energy: -16.748
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -20.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -225.971838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.971838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.971838 (E_RNA)
where:
Base-Base interactions energy: -142.544
where: short stacking energy: -70.946
Base-Backbone interact. energy: -0.131
local terms energy: -83.297438
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -18.948
flat angles C4'-P-C4' energy: -18.444
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -20.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -238.323274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.323274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.323274 (E_RNA)
where:
Base-Base interactions energy: -155.771
where: short stacking energy: -69.634
Base-Backbone interact. energy: -0.201
local terms energy: -82.351299
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -20.049
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -18.893
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: 3
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -214.092244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.092244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.092244 (E_RNA)
where:
Base-Base interactions energy: -138.773
where: short stacking energy: -65.560
Base-Backbone interact. energy: -0.039
local terms energy: -75.280432
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -14.953
tors. eta vs tors. theta energy: -13.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -192.121942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.121942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.121942 (E_RNA)
where:
Base-Base interactions energy: -122.238
where: short stacking energy: -45.420
Base-Backbone interact. energy: -0.778
local terms energy: -69.105534
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -11.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -166.872363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.872363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.872363 (E_RNA)
where:
Base-Base interactions energy: -105.482
where: short stacking energy: -54.648
Base-Backbone interact. energy: -0.137
local terms energy: -61.252821
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -4.616
tors. eta vs tors. theta energy: -11.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -94.558848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.558848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.558848 (E_RNA)
where:
Base-Base interactions energy: -35.046
where: short stacking energy: -30.895
Base-Backbone interact. energy: -0.270
local terms energy: -59.242359
where:
bonds (distance) C4'-P energy: -9.110
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -8.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -101.421410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.421410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.421410 (E_RNA)
where:
Base-Base interactions energy: -38.676
where: short stacking energy: -36.911
Base-Backbone interact. energy: -1.271
local terms energy: -61.474270
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -18.306
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: -6.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -83.891721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.891721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.891721 (E_RNA)
where:
Base-Base interactions energy: -32.527
where: short stacking energy: -16.088
Base-Backbone interact. energy: -0.246
local terms energy: -51.118357
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -10.781
flat angles P-C4'-P energy: -12.718
tors. eta vs tors. theta energy: 2.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -94.136243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.136243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.136243 (E_RNA)
where:
Base-Base interactions energy: -39.483
where: short stacking energy: -36.337
Base-Backbone interact. energy: -0.272
local terms energy: -54.381174
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -18.024
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -5.819
tors. eta vs tors. theta energy: -1.487
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: 1, replica: 8
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -240.496178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.496178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.496178 (E_RNA)
where:
Base-Base interactions energy: -157.189
where: short stacking energy: -81.047
Base-Backbone interact. energy: -0.023
local terms energy: -83.285039
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -17.725
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -23.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -235.342059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.342059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.342059 (E_RNA)
where:
Base-Base interactions energy: -161.161
where: short stacking energy: -78.527
Base-Backbone interact. energy: -0.113
local terms energy: -74.068337
where:
bonds (distance) C4'-P energy: -15.742
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -7.629
tors. eta vs tors. theta energy: -19.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -227.314652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.314652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.314652 (E_RNA)
where:
Base-Base interactions energy: -143.259
where: short stacking energy: -74.631
Base-Backbone interact. energy: -0.099
local terms energy: -83.956506
where:
bonds (distance) C4'-P energy: -15.395
bonds (distance) P-C4' energy: -18.859
flat angles C4'-P-C4' energy: -17.070
flat angles P-C4'-P energy: -11.085
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: 3
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -197.682831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.682831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.682831 (E_RNA)
where:
Base-Base interactions energy: -121.693
where: short stacking energy: -66.261
Base-Backbone interact. energy: -0.010
local terms energy: -75.979546
where:
bonds (distance) C4'-P energy: -18.259
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -12.167
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -16.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -159.556576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.556576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.556576 (E_RNA)
where:
Base-Base interactions energy: -90.533
where: short stacking energy: -45.395
Base-Backbone interact. energy: -0.186
local terms energy: -68.837161
where:
bonds (distance) C4'-P energy: -17.502
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -7.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -178.304477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.304477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.304477 (E_RNA)
where:
Base-Base interactions energy: -119.283
where: short stacking energy: -56.780
Base-Backbone interact. energy: 1.809
local terms energy: -60.830915
where:
bonds (distance) C4'-P energy: -9.611
bonds (distance) P-C4' energy: -14.926
flat angles C4'-P-C4' energy: -19.194
flat angles P-C4'-P energy: -5.954
tors. eta vs tors. theta energy: -11.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -111.954825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.954825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.954825 (E_RNA)
where:
Base-Base interactions energy: -47.057
where: short stacking energy: -21.409
Base-Backbone interact. energy: -0.108
local terms energy: -64.789696
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -6.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -90.762543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.762543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.762543 (E_RNA)
where:
Base-Base interactions energy: -41.646
where: short stacking energy: -22.484
Base-Backbone interact. energy: -0.370
local terms energy: -48.746289
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -5.395
tors. eta vs tors. theta energy: -0.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -101.065264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.065264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.065264 (E_RNA)
where:
Base-Base interactions energy: -51.209
where: short stacking energy: -40.709
Base-Backbone interact. energy: 0.115
local terms energy: -49.970811
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -7.081
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -3.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -84.189881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.189881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.189881 (E_RNA)
where:
Base-Base interactions energy: -27.523
where: short stacking energy: -27.523
Base-Backbone interact. energy: -0.051
local terms energy: -56.615547
where:
bonds (distance) C4'-P energy: -19.112
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -1.179
tors. eta vs tors. theta energy: -5.978
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: 8
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -239.558496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.558496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.558496 (E_RNA)
where:
Base-Base interactions energy: -152.750
where: short stacking energy: -79.799
Base-Backbone interact. energy: -0.096
local terms energy: -86.712666
where:
bonds (distance) C4'-P energy: -19.039
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -23.482
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: 2, replica: 4
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -230.137357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.137357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.137357 (E_RNA)
where:
Base-Base interactions energy: -145.990
where: short stacking energy: -81.518
Base-Backbone interact. energy: -0.521
local terms energy: -83.626829
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -20.467
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -22.116
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: 3, replica: 6
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -231.187631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.187631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.187631 (E_RNA)
where:
Base-Base interactions energy: -153.067
where: short stacking energy: -74.433
Base-Backbone interact. energy: -0.866
local terms energy: -77.254731
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -16.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -172.007557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.007557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.007557 (E_RNA)
where:
Base-Base interactions energy: -96.890
where: short stacking energy: -57.853
Base-Backbone interact. energy: -0.064
local terms energy: -75.052997
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -17.651
flat angles C4'-P-C4' energy: -17.341
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -13.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -191.989172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.989172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.989172 (E_RNA)
where:
Base-Base interactions energy: -125.871
where: short stacking energy: -54.489
Base-Backbone interact. energy: 1.459
local terms energy: -67.577305
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -12.448
flat angles P-C4'-P energy: -11.932
tors. eta vs tors. theta energy: -11.848
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: 7
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -181.295793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.295793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.295793 (E_RNA)
where:
Base-Base interactions energy: -112.589
where: short stacking energy: -56.186
Base-Backbone interact. energy: -0.170
local terms energy: -68.536096
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -18.092
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -5.598
tors. eta vs tors. theta energy: -15.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -108.140394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.140394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.140394 (E_RNA)
where:
Base-Base interactions energy: -48.523
where: short stacking energy: -33.969
Base-Backbone interact. energy: 0.608
local terms energy: -60.226029
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -18.189
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: -1.565
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: 8, replica: 5
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -104.216390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.216390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.216390 (E_RNA)
where:
Base-Base interactions energy: -44.153
where: short stacking energy: -44.153
Base-Backbone interact. energy: -0.131
local terms energy: -59.932197
where:
bonds (distance) C4'-P energy: -10.134
bonds (distance) P-C4' energy: -20.057
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -4.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -92.879102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.879102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.879102 (E_RNA)
where:
Base-Base interactions energy: -39.950
where: short stacking energy: -39.950
Base-Backbone interact. energy: -0.192
local terms energy: -52.736474
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -4.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -88.758915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.758915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.758915 (E_RNA)
where:
Base-Base interactions energy: -31.060
where: short stacking energy: -28.260
Base-Backbone interact. energy: -0.097
local terms energy: -57.601607
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -8.961
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: 1, replica: 8
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -243.982102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.982102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.982102 (E_RNA)
where:
Base-Base interactions energy: -152.184
where: short stacking energy: -75.154
Base-Backbone interact. energy: -0.150
local terms energy: -91.647925
where:
bonds (distance) C4'-P energy: -18.285
bonds (distance) P-C4' energy: -15.111
flat angles C4'-P-C4' energy: -19.502
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: -24.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -223.272230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.272230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.272230 (E_RNA)
where:
Base-Base interactions energy: -142.109
where: short stacking energy: -71.870
Base-Backbone interact. energy: -0.066
local terms energy: -81.097089
where:
bonds (distance) C4'-P energy: -18.589
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -21.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -226.048070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.048070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.048070 (E_RNA)
where:
Base-Base interactions energy: -145.297
where: short stacking energy: -66.274
Base-Backbone interact. energy: -0.201
local terms energy: -80.550105
where:
bonds (distance) C4'-P energy: -16.273
bonds (distance) P-C4' energy: -20.122
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: -16.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -211.566005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.566005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.566005 (E_RNA)
where:
Base-Base interactions energy: -142.365
where: short stacking energy: -70.544
Base-Backbone interact. energy: 0.332
local terms energy: -69.533285
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -13.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -174.129302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.129302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.129302 (E_RNA)
where:
Base-Base interactions energy: -109.018
where: short stacking energy: -53.329
Base-Backbone interact. energy: -0.238
local terms energy: -64.873528
where:
bonds (distance) C4'-P energy: -10.801
bonds (distance) P-C4' energy: -11.827
flat angles C4'-P-C4' energy: -18.523
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -11.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -195.336406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.336406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.336406 (E_RNA)
where:
Base-Base interactions energy: -124.001
where: short stacking energy: -49.844
Base-Backbone interact. energy: -0.041
local terms energy: -71.294457
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -17.493
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -13.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -105.887810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.887810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.887810 (E_RNA)
where:
Base-Base interactions energy: -43.293
where: short stacking energy: -36.405
Base-Backbone interact. energy: -0.117
local terms energy: -62.477964
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -19.144
flat angles C4'-P-C4' energy: -11.821
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -7.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -106.018277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.018277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.018277 (E_RNA)
where:
Base-Base interactions energy: -42.189
where: short stacking energy: -39.265
Base-Backbone interact. energy: -0.108
local terms energy: -63.721223
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -6.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -99.070362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.070362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.070362 (E_RNA)
where:
Base-Base interactions energy: -44.028
where: short stacking energy: -38.396
Base-Backbone interact. energy: -0.072
local terms energy: -54.969610
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -11.629
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -3.538
tors. eta vs tors. theta energy: -7.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -84.634603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.634603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.634603 (E_RNA)
where:
Base-Base interactions energy: -33.744
where: short stacking energy: -33.718
Base-Backbone interact. energy: -0.210
local terms energy: -50.680678
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -16.799
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -8.495
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: 1, replica: 8
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -230.384477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.384477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.384477 (E_RNA)
where:
Base-Base interactions energy: -152.666
where: short stacking energy: -70.366
Base-Backbone interact. energy: -0.160
local terms energy: -77.558757
where:
bonds (distance) C4'-P energy: -14.594
bonds (distance) P-C4' energy: -17.057
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -21.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -230.538594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.538594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.538594 (E_RNA)
where:
Base-Base interactions energy: -150.422
where: short stacking energy: -79.686
Base-Backbone interact. energy: -0.083
local terms energy: -80.034019
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -22.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -225.264207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.264207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.264207 (E_RNA)
where:
Base-Base interactions energy: -147.777
where: short stacking energy: -71.062
Base-Backbone interact. energy: -0.111
local terms energy: -77.376526
where:
bonds (distance) C4'-P energy: -18.127
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -17.276
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -15.962
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: 4, replica: 9
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -211.206089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.206089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.206089 (E_RNA)
where:
Base-Base interactions energy: -142.749
where: short stacking energy: -60.786
Base-Backbone interact. energy: 3.675
local terms energy: -72.131761
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -12.422
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: 7
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -181.015227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.015227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.015227 (E_RNA)
where:
Base-Base interactions energy: -107.848
where: short stacking energy: -58.134
Base-Backbone interact. energy: -0.098
local terms energy: -73.069783
where:
bonds (distance) C4'-P energy: -18.827
bonds (distance) P-C4' energy: -19.167
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -15.474
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: 6, replica: 3
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -176.146270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.146270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.146270 (E_RNA)
where:
Base-Base interactions energy: -103.226
where: short stacking energy: -46.532
Base-Backbone interact. energy: -0.510
local terms energy: -72.410478
where:
bonds (distance) C4'-P energy: -17.900
bonds (distance) P-C4' energy: -20.177
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -6.670
tors. eta vs tors. theta energy: -12.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -99.753107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.753107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.753107 (E_RNA)
where:
Base-Base interactions energy: -46.439
where: short stacking energy: -36.674
Base-Backbone interact. energy: -0.085
local terms energy: -53.229559
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -8.073
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -8.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -98.541576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.541576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.541576 (E_RNA)
where:
Base-Base interactions energy: -37.237
where: short stacking energy: -32.160
Base-Backbone interact. energy: -0.701
local terms energy: -60.603989
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -12.070
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: 9, replica: 1
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -87.785374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.785374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.785374 (E_RNA)
where:
Base-Base interactions energy: -34.816
where: short stacking energy: -21.672
Base-Backbone interact. energy: 0.898
local terms energy: -53.867083
where:
bonds (distance) C4'-P energy: -18.002
bonds (distance) P-C4' energy: -13.619
flat angles C4'-P-C4' energy: -12.973
flat angles P-C4'-P energy: -10.333
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: 10, replica: 10
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -86.258707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.258707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.258707 (E_RNA)
where:
Base-Base interactions energy: -27.716
where: short stacking energy: -26.955
Base-Backbone interact. energy: -0.151
local terms energy: -58.391875
where:
bonds (distance) C4'-P energy: -13.940
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -4.440
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: 8
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -233.320113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.320113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.320113 (E_RNA)
where:
Base-Base interactions energy: -149.746
where: short stacking energy: -73.269
Base-Backbone interact. energy: 0.184
local terms energy: -83.758639
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -12.887
tors. eta vs tors. theta energy: -21.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -220.109985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.109985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.109985 (E_RNA)
where:
Base-Base interactions energy: -139.008
where: short stacking energy: -76.375
Base-Backbone interact. energy: -0.183
local terms energy: -80.918983
where:
bonds (distance) C4'-P energy: -17.589
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -13.713
tors. eta vs tors. theta energy: -18.163
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: 3, replica: 9
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -225.564039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.564039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.564039 (E_RNA)
where:
Base-Base interactions energy: -145.422
where: short stacking energy: -83.013
Base-Backbone interact. energy: -0.284
local terms energy: -79.858479
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -24.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -225.567169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.567169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.567169 (E_RNA)
where:
Base-Base interactions energy: -150.203
where: short stacking energy: -62.610
Base-Backbone interact. energy: -0.216
local terms energy: -75.147835
where:
bonds (distance) C4'-P energy: -15.996
bonds (distance) P-C4' energy: -16.748
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -12.793
tors. eta vs tors. theta energy: -15.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -180.282609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.282609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.282609 (E_RNA)
where:
Base-Base interactions energy: -112.421
where: short stacking energy: -64.499
Base-Backbone interact. energy: -0.076
local terms energy: -67.785917
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: -11.323
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: 3
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -172.690994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.690994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.690994 (E_RNA)
where:
Base-Base interactions energy: -116.195
where: short stacking energy: -48.724
Base-Backbone interact. energy: -0.112
local terms energy: -56.384226
where:
bonds (distance) C4'-P energy: -11.603
bonds (distance) P-C4' energy: -17.958
flat angles C4'-P-C4' energy: -9.205
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: -8.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -118.223365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.223365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.223365 (E_RNA)
where:
Base-Base interactions energy: -53.699
where: short stacking energy: -38.604
Base-Backbone interact. energy: -0.113
local terms energy: -64.411781
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -8.654
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: 8, replica: 5
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -88.994237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.994237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.994237 (E_RNA)
where:
Base-Base interactions energy: -35.739
where: short stacking energy: -32.549
Base-Backbone interact. energy: -0.194
local terms energy: -53.061550
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -11.890
flat angles P-C4'-P energy: -7.438
tors. eta vs tors. theta energy: -6.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -100.217092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.217092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.217092 (E_RNA)
where:
Base-Base interactions energy: -44.635
where: short stacking energy: -26.583
Base-Backbone interact. energy: 0.675
local terms energy: -56.257811
where:
bonds (distance) C4'-P energy: -17.052
bonds (distance) P-C4' energy: -13.214
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -0.466
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: 1
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -87.909719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.909719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.909719 (E_RNA)
where:
Base-Base interactions energy: -32.754
where: short stacking energy: -32.754
Base-Backbone interact. energy: -0.262
local terms energy: -54.893444
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -7.751
tors. eta vs tors. theta energy: -1.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -236.139986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.139986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.139986 (E_RNA)
where:
Base-Base interactions energy: -151.954
where: short stacking energy: -76.831
Base-Backbone interact. energy: -0.055
local terms energy: -84.130018
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -19.162
flat angles C4'-P-C4' energy: -18.865
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: -19.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -219.525338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.525338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.525338 (E_RNA)
where:
Base-Base interactions energy: -137.916
where: short stacking energy: -64.650
Base-Backbone interact. energy: -0.033
local terms energy: -81.576016
where:
bonds (distance) C4'-P energy: -16.781
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -17.831
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -17.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -225.513640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.513640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.513640 (E_RNA)
where:
Base-Base interactions energy: -137.788
where: short stacking energy: -83.507
Base-Backbone interact. energy: -0.488
local terms energy: -87.238224
where:
bonds (distance) C4'-P energy: -12.986
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -19.349
flat angles P-C4'-P energy: -14.863
tors. eta vs tors. theta energy: -23.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -226.856206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.856206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.856206 (E_RNA)
where:
Base-Base interactions energy: -142.493
where: short stacking energy: -68.120
Base-Backbone interact. energy: -0.296
local terms energy: -84.067686
where:
bonds (distance) C4'-P energy: -19.279
bonds (distance) P-C4' energy: -19.171
flat angles C4'-P-C4' energy: -18.329
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -15.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -174.659291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.659291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.659291 (E_RNA)
where:
Base-Base interactions energy: -101.361
where: short stacking energy: -56.107
Base-Backbone interact. energy: -0.288
local terms energy: -73.010494
where:
bonds (distance) C4'-P energy: -15.624
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -18.300
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -14.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -171.222174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.222174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.222174 (E_RNA)
where:
Base-Base interactions energy: -100.030
where: short stacking energy: -43.762
Base-Backbone interact. energy: 0.429
local terms energy: -71.621373
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -15.904
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -11.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -110.798113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.798113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.798113 (E_RNA)
where:
Base-Base interactions energy: -48.298
where: short stacking energy: -31.672
Base-Backbone interact. energy: -0.078
local terms energy: -62.422191
where:
bonds (distance) C4'-P energy: -17.957
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -2.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -104.927704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.927704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.927704 (E_RNA)
where:
Base-Base interactions energy: -38.520
where: short stacking energy: -36.315
Base-Backbone interact. energy: -0.070
local terms energy: -66.337567
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -18.471
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -7.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -113.781150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.781150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.781150 (E_RNA)
where:
Base-Base interactions energy: -59.873
where: short stacking energy: -42.441
Base-Backbone interact. energy: -0.246
local terms energy: -53.662185
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -13.310
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -4.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -97.072415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.072415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.072415 (E_RNA)
where:
Base-Base interactions energy: -32.855
where: short stacking energy: -28.766
Base-Backbone interact. energy: -0.460
local terms energy: -63.757412
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -18.397
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -2.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -237.058207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.058207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.058207 (E_RNA)
where:
Base-Base interactions energy: -151.488
where: short stacking energy: -72.509
Base-Backbone interact. energy: -0.150
local terms energy: -85.419730
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -18.385
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -20.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -216.736785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.736785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.736785 (E_RNA)
where:
Base-Base interactions energy: -134.617
where: short stacking energy: -72.570
Base-Backbone interact. energy: -0.111
local terms energy: -82.009023
where:
bonds (distance) C4'-P energy: -19.663
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -22.639
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: 3, replica: 6
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -233.023716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.023716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.023716 (E_RNA)
where:
Base-Base interactions energy: -150.083
where: short stacking energy: -65.060
Base-Backbone interact. energy: -0.093
local terms energy: -82.847658
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -21.396
flat angles C4'-P-C4' energy: -19.590
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: -16.449
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: 84
Temperature: 1.050000
Total energy: -204.660745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.660745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.660745 (E_RNA)
where:
Base-Base interactions energy: -131.003
where: short stacking energy: -64.076
Base-Backbone interact. energy: -0.255
local terms energy: -73.402964
where:
bonds (distance) C4'-P energy: -16.750
bonds (distance) P-C4' energy: -15.605
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -8.192
tors. eta vs tors. theta energy: -18.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -195.719043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.719043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.719043 (E_RNA)
where:
Base-Base interactions energy: -121.254
where: short stacking energy: -58.121
Base-Backbone interact. energy: -0.025
local terms energy: -74.439767
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -16.649
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: 6, replica: 7
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -183.129367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.129367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.129367 (E_RNA)
where:
Base-Base interactions energy: -103.980
where: short stacking energy: -59.084
Base-Backbone interact. energy: -0.005
local terms energy: -79.143773
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -20.091
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -20.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -116.006741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.006741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.006741 (E_RNA)
where:
Base-Base interactions energy: -51.631
where: short stacking energy: -36.412
Base-Backbone interact. energy: -0.158
local terms energy: -64.217432
where:
bonds (distance) C4'-P energy: -17.092
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -9.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -88.953775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.953775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.953775 (E_RNA)
where:
Base-Base interactions energy: -35.194
where: short stacking energy: -30.271
Base-Backbone interact. energy: -0.463
local terms energy: -53.296675
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -1.487
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: 9, replica: 1
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -97.524827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.524827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.524827 (E_RNA)
where:
Base-Base interactions energy: -53.458
where: short stacking energy: -38.434
Base-Backbone interact. energy: -0.663
local terms energy: -43.404366
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -12.459
flat angles C4'-P-C4' energy: -7.123
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: -1.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -85.659121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.659121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.659121 (E_RNA)
where:
Base-Base interactions energy: -28.870
where: short stacking energy: -29.670
Base-Backbone interact. energy: -0.838
local terms energy: -55.951135
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -20.358
flat angles C4'-P-C4' energy: -11.197
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -2.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -241.751885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.751885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.751885 (E_RNA)
where:
Base-Base interactions energy: -150.469
where: short stacking energy: -77.499
Base-Backbone interact. energy: -0.102
local terms energy: -91.180290
where:
bonds (distance) C4'-P energy: -18.338
bonds (distance) P-C4' energy: -19.738
flat angles C4'-P-C4' energy: -19.842
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -21.984
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: 6
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -229.238742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.238742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.238742 (E_RNA)
where:
Base-Base interactions energy: -145.478
where: short stacking energy: -72.505
Base-Backbone interact. energy: -0.283
local terms energy: -83.477782
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -20.515
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -11.665
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: 3, replica: 9
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -217.561475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.561475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.561475 (E_RNA)
where:
Base-Base interactions energy: -129.771
where: short stacking energy: -74.945
Base-Backbone interact. energy: 0.237
local terms energy: -88.026723
where:
bonds (distance) C4'-P energy: -16.203
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -22.320
flat angles P-C4'-P energy: -12.785
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: 4, replica: 3
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -175.208623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.208623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.208623 (E_RNA)
where:
Base-Base interactions energy: -103.056
where: short stacking energy: -58.861
Base-Backbone interact. energy: 0.367
local terms energy: -72.519477
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -11.776
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: 5, replica: 4
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -202.506532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.506532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.506532 (E_RNA)
where:
Base-Base interactions energy: -126.570
where: short stacking energy: -57.134
Base-Backbone interact. energy: -0.210
local terms energy: -75.726561
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -18.893
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -16.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -178.294308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.294308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.294308 (E_RNA)
where:
Base-Base interactions energy: -106.632
where: short stacking energy: -53.955
Base-Backbone interact. energy: -0.081
local terms energy: -71.580752
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -18.977
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -9.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -102.154518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.154518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.154518 (E_RNA)
where:
Base-Base interactions energy: -41.948
where: short stacking energy: -40.229
Base-Backbone interact. energy: -0.456
local terms energy: -59.750572
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -12.974
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -8.853
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: 8, replica: 1
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -106.055588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.055588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.055588 (E_RNA)
where:
Base-Base interactions energy: -50.042
where: short stacking energy: -42.034
Base-Backbone interact. energy: 0.382
local terms energy: -56.395109
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -9.508
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -9.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -87.628937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.628937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.628937 (E_RNA)
where:
Base-Base interactions energy: -39.522
where: short stacking energy: -18.538
Base-Backbone interact. energy: 1.137
local terms energy: -49.244032
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -12.448
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: 3.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -95.117261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.117261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.117261 (E_RNA)
where:
Base-Base interactions energy: -32.618
where: short stacking energy: -25.929
Base-Backbone interact. energy: -1.023
local terms energy: -61.475946
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -9.309
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: 6
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -242.668198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.668198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.668198 (E_RNA)
where:
Base-Base interactions energy: -160.146
where: short stacking energy: -82.496
Base-Backbone interact. energy: -0.148
local terms energy: -82.374792
where:
bonds (distance) C4'-P energy: -12.243
bonds (distance) P-C4' energy: -18.568
flat angles C4'-P-C4' energy: -20.736
flat angles P-C4'-P energy: -13.884
tors. eta vs tors. theta energy: -16.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -219.469737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.469737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.469737 (E_RNA)
where:
Base-Base interactions energy: -147.450
where: short stacking energy: -68.925
Base-Backbone interact. energy: -0.083
local terms energy: -71.936816
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -17.098
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -4.590
tors. eta vs tors. theta energy: -19.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -221.272836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.272836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.272836 (E_RNA)
where:
Base-Base interactions energy: -141.462
where: short stacking energy: -74.485
Base-Backbone interact. energy: -0.129
local terms energy: -79.681786
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -17.660
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -17.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -174.079797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.079797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.079797 (E_RNA)
where:
Base-Base interactions energy: -104.761
where: short stacking energy: -56.009
Base-Backbone interact. energy: -0.086
local terms energy: -69.232661
where:
bonds (distance) C4'-P energy: -10.290
bonds (distance) P-C4' energy: -16.966
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -12.243
tors. eta vs tors. theta energy: -13.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -187.211887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.211887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.211887 (E_RNA)
where:
Base-Base interactions energy: -114.571
where: short stacking energy: -51.939
Base-Backbone interact. energy: -0.187
local terms energy: -72.453788
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -15.332
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -15.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -192.961558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.961558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.961558 (E_RNA)
where:
Base-Base interactions energy: -118.427
where: short stacking energy: -64.780
Base-Backbone interact. energy: -0.613
local terms energy: -73.921636
where:
bonds (distance) C4'-P energy: -18.687
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -15.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -115.014162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.014162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.014162 (E_RNA)
where:
Base-Base interactions energy: -47.436
where: short stacking energy: -46.358
Base-Backbone interact. energy: -0.101
local terms energy: -67.477291
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -19.879
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -9.985
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: 8, replica: 2
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -140.249080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.249080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.249080 (E_RNA)
where:
Base-Base interactions energy: -70.436
where: short stacking energy: -45.058
Base-Backbone interact. energy: -0.630
local terms energy: -69.182441
where:
bonds (distance) C4'-P energy: -17.743
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -8.249
tors. eta vs tors. theta energy: -10.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -89.837326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.837326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.837326 (E_RNA)
where:
Base-Base interactions energy: -22.326
where: short stacking energy: -22.326
Base-Backbone interact. energy: -1.069
local terms energy: -66.442529
where:
bonds (distance) C4'-P energy: -18.091
bonds (distance) P-C4' energy: -19.732
flat angles C4'-P-C4' energy: -11.894
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -6.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -106.554341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.554341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.554341 (E_RNA)
where:
Base-Base interactions energy: -44.853
where: short stacking energy: -41.617
Base-Backbone interact. energy: 0.636
local terms energy: -62.337716
where:
bonds (distance) C4'-P energy: -17.518
bonds (distance) P-C4' energy: -13.606
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -6.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -244.733202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.733202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.733202 (E_RNA)
where:
Base-Base interactions energy: -161.734
where: short stacking energy: -82.092
Base-Backbone interact. energy: -0.145
local terms energy: -82.854848
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -20.849
flat angles C4'-P-C4' energy: -19.395
flat angles P-C4'-P energy: -13.494
tors. eta vs tors. theta energy: -17.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -217.300984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.300984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.300984 (E_RNA)
where:
Base-Base interactions energy: -147.200
where: short stacking energy: -66.821
Base-Backbone interact. energy: 1.425
local terms energy: -71.525932
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -19.201
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: -16.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -199.857090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.857090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.857090 (E_RNA)
where:
Base-Base interactions energy: -113.171
where: short stacking energy: -65.820
Base-Backbone interact. energy: -0.035
local terms energy: -86.651698
where:
bonds (distance) C4'-P energy: -19.824
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -19.735
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -17.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -180.258831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.258831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.258831 (E_RNA)
where:
Base-Base interactions energy: -104.043
where: short stacking energy: -54.643
Base-Backbone interact. energy: -1.203
local terms energy: -75.012199
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -19.718
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -14.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -176.070669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.070669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.070669 (E_RNA)
where:
Base-Base interactions energy: -101.609
where: short stacking energy: -54.062
Base-Backbone interact. energy: -0.233
local terms energy: -74.229070
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -15.334
flat angles C4'-P-C4' energy: -21.593
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -13.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -192.696637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.696637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.696637 (E_RNA)
where:
Base-Base interactions energy: -113.047
where: short stacking energy: -56.271
Base-Backbone interact. energy: -0.203
local terms energy: -79.446209
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -18.926
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -14.375
tors. eta vs tors. theta energy: -16.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -93.486204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.486204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.486204 (E_RNA)
where:
Base-Base interactions energy: -33.131
where: short stacking energy: -33.131
Base-Backbone interact. energy: -0.095
local terms energy: -60.260216
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -17.321
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: -4.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -137.579801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.579801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.579801 (E_RNA)
where:
Base-Base interactions energy: -85.390
where: short stacking energy: -40.875
Base-Backbone interact. energy: 0.544
local terms energy: -52.733763
where:
bonds (distance) C4'-P energy: -9.830
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -5.922
tors. eta vs tors. theta energy: -6.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -95.247967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.247967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.247967 (E_RNA)
where:
Base-Base interactions energy: -39.775
where: short stacking energy: -39.775
Base-Backbone interact. energy: -0.205
local terms energy: -55.268160
where:
bonds (distance) C4'-P energy: -18.582
bonds (distance) P-C4' energy: -18.065
flat angles C4'-P-C4' energy: -9.188
flat angles P-C4'-P energy: -4.361
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: 10, replica: 5
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -84.765846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.765846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.765846 (E_RNA)
where:
Base-Base interactions energy: -29.218
where: short stacking energy: -24.363
Base-Backbone interact. energy: -0.082
local terms energy: -55.465784
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -11.570
tors. eta vs tors. theta energy: -5.420
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: 6
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -244.824371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.824371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.824371 (E_RNA)
where:
Base-Base interactions energy: -161.620
where: short stacking energy: -80.667
Base-Backbone interact. energy: -0.299
local terms energy: -82.905378
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -20.414
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: -19.826
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: 8
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -221.359988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.359988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.359988 (E_RNA)
where:
Base-Base interactions energy: -139.468
where: short stacking energy: -67.794
Base-Backbone interact. energy: -0.082
local terms energy: -81.809940
where:
bonds (distance) C4'-P energy: -13.860
bonds (distance) P-C4' energy: -19.058
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -13.280
tors. eta vs tors. theta energy: -18.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -206.740381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.740381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.740381 (E_RNA)
where:
Base-Base interactions energy: -130.982
where: short stacking energy: -63.322
Base-Backbone interact. energy: -0.218
local terms energy: -75.539698
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -18.836
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -12.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -181.067183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.067183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.067183 (E_RNA)
where:
Base-Base interactions energy: -108.330
where: short stacking energy: -56.231
Base-Backbone interact. energy: 0.549
local terms energy: -73.286184
where:
bonds (distance) C4'-P energy: -17.811
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -9.299
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: 4
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -209.824994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.824994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.824994 (E_RNA)
where:
Base-Base interactions energy: -132.598
where: short stacking energy: -76.966
Base-Backbone interact. energy: -0.016
local terms energy: -77.210601
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -17.093
flat angles P-C4'-P energy: -14.637
tors. eta vs tors. theta energy: -18.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -173.521707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.521707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.521707 (E_RNA)
where:
Base-Base interactions energy: -102.428
where: short stacking energy: -58.120
Base-Backbone interact. energy: -0.169
local terms energy: -70.925009
where:
bonds (distance) C4'-P energy: -18.367
bonds (distance) P-C4' energy: -18.118
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -13.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -133.799805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.799805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.799805 (E_RNA)
where:
Base-Base interactions energy: -70.629
where: short stacking energy: -33.028
Base-Backbone interact. energy: -0.283
local terms energy: -62.887506
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -18.832
flat angles P-C4'-P energy: -8.346
tors. eta vs tors. theta energy: -4.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -90.049669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.049669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.049669 (E_RNA)
where:
Base-Base interactions energy: -33.155
where: short stacking energy: -33.376
Base-Backbone interact. energy: 0.350
local terms energy: -57.244905
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -21.128
flat angles C4'-P-C4' energy: -9.067
flat angles P-C4'-P energy: -5.867
tors. eta vs tors. theta energy: -6.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -115.015227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.015227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.015227 (E_RNA)
where:
Base-Base interactions energy: -62.972
where: short stacking energy: -25.314
Base-Backbone interact. energy: 2.019
local terms energy: -54.062303
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -17.973
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -6.674
tors. eta vs tors. theta energy: -2.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -90.347950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.347950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.347950 (E_RNA)
where:
Base-Base interactions energy: -30.479
where: short stacking energy: -23.841
Base-Backbone interact. energy: -0.153
local terms energy: -59.715185
where:
bonds (distance) C4'-P energy: -15.479
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -12.281
flat angles P-C4'-P energy: -10.155
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: 1, replica: 6
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -238.680794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.680794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.680794 (E_RNA)
where:
Base-Base interactions energy: -157.201
where: short stacking energy: -73.159
Base-Backbone interact. energy: -0.187
local terms energy: -81.292810
where:
bonds (distance) C4'-P energy: -18.445
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -19.403
flat angles P-C4'-P energy: -7.870
tors. eta vs tors. theta energy: -19.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -227.267866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.267866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.267866 (E_RNA)
where:
Base-Base interactions energy: -141.952
where: short stacking energy: -83.100
Base-Backbone interact. energy: 0.261
local terms energy: -85.577033
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -24.943
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: 3, replica: 8
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -216.076706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.076706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.076706 (E_RNA)
where:
Base-Base interactions energy: -141.029
where: short stacking energy: -71.676
Base-Backbone interact. energy: -0.183
local terms energy: -74.864918
where:
bonds (distance) C4'-P energy: -12.630
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -14.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -212.396615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.396615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.396615 (E_RNA)
where:
Base-Base interactions energy: -133.963
where: short stacking energy: -58.932
Base-Backbone interact. energy: -0.112
local terms energy: -78.321572
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -20.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -179.697812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.697812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.697812 (E_RNA)
where:
Base-Base interactions energy: -111.615
where: short stacking energy: -64.028
Base-Backbone interact. energy: -0.070
local terms energy: -68.012727
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -8.547
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: 2
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -154.819802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.819802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.819802 (E_RNA)
where:
Base-Base interactions energy: -98.444
where: short stacking energy: -50.450
Base-Backbone interact. energy: 0.364
local terms energy: -56.739931
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -9.280
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: 7, replica: 3
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -153.198768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.198768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.198768 (E_RNA)
where:
Base-Base interactions energy: -83.623
where: short stacking energy: -45.530
Base-Backbone interact. energy: -0.213
local terms energy: -69.362543
where:
bonds (distance) C4'-P energy: -16.699
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -18.021
flat angles P-C4'-P energy: -12.250
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: 8, replica: 1
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -102.654131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.654131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.654131 (E_RNA)
where:
Base-Base interactions energy: -51.029
where: short stacking energy: -51.029
Base-Backbone interact. energy: -0.209
local terms energy: -51.415554
where:
bonds (distance) C4'-P energy: -7.793
bonds (distance) P-C4' energy: -12.678
flat angles C4'-P-C4' energy: -12.073
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -7.500
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: 5
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -89.480593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.480593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.480593 (E_RNA)
where:
Base-Base interactions energy: -34.426
where: short stacking energy: -29.787
Base-Backbone interact. energy: -0.117
local terms energy: -54.937906
where:
bonds (distance) C4'-P energy: -18.471
bonds (distance) P-C4' energy: -18.771
flat angles C4'-P-C4' energy: -7.709
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: 0.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -93.085637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.085637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.085637 (E_RNA)
where:
Base-Base interactions energy: -40.278
where: short stacking energy: -30.173
Base-Backbone interact. energy: -0.453
local terms energy: -52.354497
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -16.042
flat angles C4'-P-C4' energy: -8.667
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -3.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -238.491112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.491112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.491112 (E_RNA)
where:
Base-Base interactions energy: -155.697
where: short stacking energy: -75.972
Base-Backbone interact. energy: -0.066
local terms energy: -82.728356
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -19.875
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -19.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -223.078333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.078333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.078333 (E_RNA)
where:
Base-Base interactions energy: -140.735
where: short stacking energy: -69.796
Base-Backbone interact. energy: -0.052
local terms energy: -82.291320
where:
bonds (distance) C4'-P energy: -18.006
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -11.564
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: 8
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -237.589428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.589428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.589428 (E_RNA)
where:
Base-Base interactions energy: -151.186
where: short stacking energy: -75.288
Base-Backbone interact. energy: -0.437
local terms energy: -85.966955
where:
bonds (distance) C4'-P energy: -18.926
bonds (distance) P-C4' energy: -19.358
flat angles C4'-P-C4' energy: -20.892
flat angles P-C4'-P energy: -7.434
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: 90
Temperature: 1.050000
Total energy: -219.983682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.983682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.983682 (E_RNA)
where:
Base-Base interactions energy: -142.121
where: short stacking energy: -69.819
Base-Backbone interact. energy: -0.621
local terms energy: -77.241890
where:
bonds (distance) C4'-P energy: -16.728
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -16.617
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: 5, replica: 2
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -147.808115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.808115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.808115 (E_RNA)
where:
Base-Base interactions energy: -85.716
where: short stacking energy: -34.449
Base-Backbone interact. energy: -0.554
local terms energy: -61.538476
where:
bonds (distance) C4'-P energy: -15.934
bonds (distance) P-C4' energy: -20.172
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: -2.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -165.893533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.893533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.893533 (E_RNA)
where:
Base-Base interactions energy: -101.101
where: short stacking energy: -50.005
Base-Backbone interact. energy: -0.152
local terms energy: -64.640803
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -15.810
flat angles C4'-P-C4' energy: -18.281
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -7.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -112.218151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.218151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.218151 (E_RNA)
where:
Base-Base interactions energy: -56.613
where: short stacking energy: -46.768
Base-Backbone interact. energy: -0.255
local terms energy: -55.349942
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -5.197
tors. eta vs tors. theta energy: -4.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -149.888731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.888731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.888731 (E_RNA)
where:
Base-Base interactions energy: -89.273
where: short stacking energy: -45.799
Base-Backbone interact. energy: -0.955
local terms energy: -59.660939
where:
bonds (distance) C4'-P energy: -9.874
bonds (distance) P-C4' energy: -18.255
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -8.298
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: 9, replica: 10
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -100.421760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.421760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.421760 (E_RNA)
where:
Base-Base interactions energy: -48.679
where: short stacking energy: -39.050
Base-Backbone interact. energy: -0.162
local terms energy: -51.580818
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -9.443
flat angles C4'-P-C4' energy: -8.670
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -8.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -82.466368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.466368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.466368 (E_RNA)
where:
Base-Base interactions energy: -40.035
where: short stacking energy: -32.907
Base-Backbone interact. energy: 2.218
local terms energy: -44.649534
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -8.700
flat angles P-C4'-P energy: -5.800
tors. eta vs tors. theta energy: -4.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -225.437042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.437042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.437042 (E_RNA)
where:
Base-Base interactions energy: -146.566
where: short stacking energy: -65.254
Base-Backbone interact. energy: -0.204
local terms energy: -78.667668
where:
bonds (distance) C4'-P energy: -16.827
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -10.476
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: 2, replica: 8
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -230.431768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.431768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.431768 (E_RNA)
where:
Base-Base interactions energy: -143.806
where: short stacking energy: -72.167
Base-Backbone interact. energy: 0.120
local terms energy: -86.745817
where:
bonds (distance) C4'-P energy: -18.674
bonds (distance) P-C4' energy: -17.847
flat angles C4'-P-C4' energy: -18.288
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -20.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -213.153282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.153282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.153282 (E_RNA)
where:
Base-Base interactions energy: -137.760
where: short stacking energy: -78.025
Base-Backbone interact. energy: -0.089
local terms energy: -75.303926
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -12.639
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -18.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -200.830196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.830196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.830196 (E_RNA)
where:
Base-Base interactions energy: -119.519
where: short stacking energy: -51.169
Base-Backbone interact. energy: -0.078
local terms energy: -81.232726
where:
bonds (distance) C4'-P energy: -17.143
bonds (distance) P-C4' energy: -19.794
flat angles C4'-P-C4' energy: -17.511
flat angles P-C4'-P energy: -12.216
tors. eta vs tors. theta energy: -14.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -194.592667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.592667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.592667 (E_RNA)
where:
Base-Base interactions energy: -130.503
where: short stacking energy: -51.008
Base-Backbone interact. energy: -0.243
local terms energy: -63.846131
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -19.316
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -6.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -182.448104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.448104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.448104 (E_RNA)
where:
Base-Base interactions energy: -107.990
where: short stacking energy: -52.732
Base-Backbone interact. energy: -0.061
local terms energy: -74.396883
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -17.791
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -14.937
tors. eta vs tors. theta energy: -12.349
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: 7, replica: 1
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -105.862055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.862055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.862055 (E_RNA)
where:
Base-Base interactions energy: -38.614
where: short stacking energy: -33.669
Base-Backbone interact. energy: -0.101
local terms energy: -67.147384
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -18.972
flat angles P-C4'-P energy: -11.699
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: 8, replica: 10
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -95.155877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.155877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.155877 (E_RNA)
where:
Base-Base interactions energy: -43.225
where: short stacking energy: -27.111
Base-Backbone interact. energy: -0.187
local terms energy: -51.743371
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -12.972
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: 0.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -145.174247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.174247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.174247 (E_RNA)
where:
Base-Base interactions energy: -82.556
where: short stacking energy: -36.858
Base-Backbone interact. energy: -0.017
local terms energy: -62.601528
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -9.762
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: 5
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -91.290188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.290188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.290188 (E_RNA)
where:
Base-Base interactions energy: -50.878
where: short stacking energy: -19.370
Base-Backbone interact. energy: -0.384
local terms energy: -40.028491
where:
bonds (distance) C4'-P energy: -11.740
bonds (distance) P-C4' energy: -12.285
flat angles C4'-P-C4' energy: -10.793
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: 6.556
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: 8
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -249.053140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.053140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.053140 (E_RNA)
where:
Base-Base interactions energy: -164.413
where: short stacking energy: -84.505
Base-Backbone interact. energy: -0.080
local terms energy: -84.559748
where:
bonds (distance) C4'-P energy: -15.892
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -17.403
flat angles P-C4'-P energy: -10.230
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: 2, replica: 6
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -223.208995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.208995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.208995 (E_RNA)
where:
Base-Base interactions energy: -139.693
where: short stacking energy: -55.573
Base-Backbone interact. energy: -0.079
local terms energy: -83.437039
where:
bonds (distance) C4'-P energy: -19.398
bonds (distance) P-C4' energy: -18.581
flat angles C4'-P-C4' energy: -18.827
flat angles P-C4'-P energy: -12.265
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: 3, replica: 9
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -210.604367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.604367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.604367 (E_RNA)
where:
Base-Base interactions energy: -126.829
where: short stacking energy: -62.194
Base-Backbone interact. energy: -0.146
local terms energy: -83.629005
where:
bonds (distance) C4'-P energy: -20.392
bonds (distance) P-C4' energy: -18.087
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -17.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -217.471264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.471264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.471264 (E_RNA)
where:
Base-Base interactions energy: -143.972
where: short stacking energy: -69.230
Base-Backbone interact. energy: -0.005
local terms energy: -73.494774
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -6.444
tors. eta vs tors. theta energy: -20.897
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: 7
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -200.834657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.834657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.834657 (E_RNA)
where:
Base-Base interactions energy: -127.249
where: short stacking energy: -64.042
Base-Backbone interact. energy: 1.076
local terms energy: -74.662161
where:
bonds (distance) C4'-P energy: -16.168
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -18.867
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -12.964
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: 2
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -206.305790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.305790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.305790 (E_RNA)
where:
Base-Base interactions energy: -132.697
where: short stacking energy: -60.872
Base-Backbone interact. energy: 0.343
local terms energy: -73.952525
where:
bonds (distance) C4'-P energy: -18.935
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -13.154
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -14.715
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: 7, replica: 10
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -109.693061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.693061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.693061 (E_RNA)
where:
Base-Base interactions energy: -51.792
where: short stacking energy: -32.636
Base-Backbone interact. energy: 0.605
local terms energy: -58.506225
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -17.666
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -3.856
tors. eta vs tors. theta energy: -9.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -98.822630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.822630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.822630 (E_RNA)
where:
Base-Base interactions energy: -42.936
where: short stacking energy: -42.936
Base-Backbone interact. energy: -0.027
local terms energy: -55.859666
where:
bonds (distance) C4'-P energy: -8.866
bonds (distance) P-C4' energy: -17.127
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: -7.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -100.759771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.759771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.759771 (E_RNA)
where:
Base-Base interactions energy: -44.675
where: short stacking energy: -34.157
Base-Backbone interact. energy: -0.174
local terms energy: -55.910732
where:
bonds (distance) C4'-P energy: -18.437
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -0.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -157.233438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.233438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.233438 (E_RNA)
where:
Base-Base interactions energy: -98.125
where: short stacking energy: -40.942
Base-Backbone interact. energy: -0.271
local terms energy: -58.836977
where:
bonds (distance) C4'-P energy: -17.216
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -7.474
tors. eta vs tors. theta energy: -6.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -233.817878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.817878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.817878 (E_RNA)
where:
Base-Base interactions energy: -143.413
where: short stacking energy: -75.991
Base-Backbone interact. energy: -0.137
local terms energy: -90.267943
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -19.822
flat angles C4'-P-C4' energy: -19.334
flat angles P-C4'-P energy: -15.214
tors. eta vs tors. theta energy: -21.021
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: 93
Temperature: 0.950000
Total energy: -229.406775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.406775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.406775 (E_RNA)
where:
Base-Base interactions energy: -148.743
where: short stacking energy: -70.940
Base-Backbone interact. energy: -0.381
local terms energy: -80.282305
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -14.888
flat angles C4'-P-C4' energy: -19.413
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -18.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -211.684957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.684957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.684957 (E_RNA)
where:
Base-Base interactions energy: -128.893
where: short stacking energy: -71.301
Base-Backbone interact. energy: -0.181
local terms energy: -82.611344
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -16.128
flat angles P-C4'-P energy: -13.141
tors. eta vs tors. theta energy: -19.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -194.222651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.222651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.222651 (E_RNA)
where:
Base-Base interactions energy: -117.210
where: short stacking energy: -51.259
Base-Backbone interact. energy: -0.126
local terms energy: -76.886550
where:
bonds (distance) C4'-P energy: -18.649
bonds (distance) P-C4' energy: -14.559
flat angles C4'-P-C4' energy: -17.488
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -14.550
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: 5, replica: 4
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -208.201286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.201286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.201286 (E_RNA)
where:
Base-Base interactions energy: -135.036
where: short stacking energy: -63.360
Base-Backbone interact. energy: -0.032
local terms energy: -73.133054
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -17.088
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -11.905
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: 2
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -189.343266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.343266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.343266 (E_RNA)
where:
Base-Base interactions energy: -133.266
where: short stacking energy: -54.463
Base-Backbone interact. energy: -0.839
local terms energy: -55.238871
where:
bonds (distance) C4'-P energy: -10.232
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: -8.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -100.553564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.553564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.553564 (E_RNA)
where:
Base-Base interactions energy: -39.222
where: short stacking energy: -37.510
Base-Backbone interact. energy: 0.820
local terms energy: -62.152443
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -5.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -107.020415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.020415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.020415 (E_RNA)
where:
Base-Base interactions energy: -62.358
where: short stacking energy: -36.599
Base-Backbone interact. energy: -0.127
local terms energy: -44.535384
where:
bonds (distance) C4'-P energy: -10.023
bonds (distance) P-C4' energy: -13.338
flat angles C4'-P-C4' energy: -13.479
flat angles P-C4'-P energy: -5.215
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: 1
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -97.593761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.593761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.593761 (E_RNA)
where:
Base-Base interactions energy: -35.415
where: short stacking energy: -35.415
Base-Backbone interact. energy: -0.098
local terms energy: -62.081226
where:
bonds (distance) C4'-P energy: -16.126
bonds (distance) P-C4' energy: -15.959
flat angles C4'-P-C4' energy: -10.166
flat angles P-C4'-P energy: -14.486
tors. eta vs tors. theta energy: -5.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -159.459137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.459137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.459137 (E_RNA)
where:
Base-Base interactions energy: -99.963
where: short stacking energy: -49.013
Base-Backbone interact. energy: 1.480
local terms energy: -60.975782
where:
bonds (distance) C4'-P energy: -16.087
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -6.268
tors. eta vs tors. theta energy: -7.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -238.162713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.162713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.162713 (E_RNA)
where:
Base-Base interactions energy: -153.991
where: short stacking energy: -81.487
Base-Backbone interact. energy: -0.119
local terms energy: -84.052351
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -19.761
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -22.232
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: 6
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -236.699430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.699430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.699430 (E_RNA)
where:
Base-Base interactions energy: -153.744
where: short stacking energy: -70.041
Base-Backbone interact. energy: -0.121
local terms energy: -82.834307
where:
bonds (distance) C4'-P energy: -17.941
bonds (distance) P-C4' energy: -19.396
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -18.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -209.046357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.046357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.046357 (E_RNA)
where:
Base-Base interactions energy: -132.978
where: short stacking energy: -76.428
Base-Backbone interact. energy: -0.074
local terms energy: -75.994205
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -17.904
flat angles P-C4'-P energy: -9.565
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: 7
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -189.740337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.740337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.740337 (E_RNA)
where:
Base-Base interactions energy: -115.516
where: short stacking energy: -64.346
Base-Backbone interact. energy: -0.261
local terms energy: -73.963720
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -19.951
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -18.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -194.479688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.479688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.479688 (E_RNA)
where:
Base-Base interactions energy: -125.623
where: short stacking energy: -52.461
Base-Backbone interact. energy: -0.228
local terms energy: -68.629119
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -16.759
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -11.684
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: 6, replica: 4
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -190.236738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.236738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.236738 (E_RNA)
where:
Base-Base interactions energy: -117.570
where: short stacking energy: -58.667
Base-Backbone interact. energy: -0.045
local terms energy: -72.621500
where:
bonds (distance) C4'-P energy: -16.781
bonds (distance) P-C4' energy: -18.319
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -5.446
tors. eta vs tors. theta energy: -15.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -118.884178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.884178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.884178 (E_RNA)
where:
Base-Base interactions energy: -47.955
where: short stacking energy: -47.955
Base-Backbone interact. energy: -0.058
local terms energy: -70.870631
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -18.181
flat angles P-C4'-P energy: -6.537
tors. eta vs tors. theta energy: -13.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -101.511183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.511183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.511183 (E_RNA)
where:
Base-Base interactions energy: -39.071
where: short stacking energy: -37.535
Base-Backbone interact. energy: -0.040
local terms energy: -62.400143
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -16.907
flat angles C4'-P-C4' energy: -10.505
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -6.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -165.134794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.134794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.134794 (E_RNA)
where:
Base-Base interactions energy: -102.250
where: short stacking energy: -46.200
Base-Backbone interact. energy: -0.526
local terms energy: -62.359127
where:
bonds (distance) C4'-P energy: -10.377
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -10.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -86.503213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.503213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.503213 (E_RNA)
where:
Base-Base interactions energy: -34.504
where: short stacking energy: -20.050
Base-Backbone interact. energy: -1.400
local terms energy: -50.599123
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -7.576
tors. eta vs tors. theta energy: 0.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -228.950644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.950644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.950644 (E_RNA)
where:
Base-Base interactions energy: -143.006
where: short stacking energy: -72.454
Base-Backbone interact. energy: -0.034
local terms energy: -85.910130
where:
bonds (distance) C4'-P energy: -17.812
bonds (distance) P-C4' energy: -20.465
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -11.947
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: 2, replica: 6
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -228.731384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.731384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.731384 (E_RNA)
where:
Base-Base interactions energy: -158.042
where: short stacking energy: -73.036
Base-Backbone interact. energy: -0.636
local terms energy: -70.054062
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -11.426
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -12.601
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: 3, replica: 9
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -205.250418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.250418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.250418 (E_RNA)
where:
Base-Base interactions energy: -129.621
where: short stacking energy: -70.121
Base-Backbone interact. energy: -0.066
local terms energy: -75.563085
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -19.814
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -7.647
tors. eta vs tors. theta energy: -18.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -202.144731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.144731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.144731 (E_RNA)
where:
Base-Base interactions energy: -130.542
where: short stacking energy: -57.081
Base-Backbone interact. energy: -0.239
local terms energy: -71.363401
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -17.602
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -10.078
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: 5, replica: 7
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -188.135811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.135811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.135811 (E_RNA)
where:
Base-Base interactions energy: -114.878
where: short stacking energy: -60.056
Base-Backbone interact. energy: -0.124
local terms energy: -73.133569
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -16.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -189.005273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.005273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.005273 (E_RNA)
where:
Base-Base interactions energy: -129.931
where: short stacking energy: -65.194
Base-Backbone interact. energy: -0.123
local terms energy: -58.951000
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -7.662
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -14.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -108.937820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.937820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.937820 (E_RNA)
where:
Base-Base interactions energy: -46.184
where: short stacking energy: -46.184
Base-Backbone interact. energy: -0.103
local terms energy: -62.650513
where:
bonds (distance) C4'-P energy: -18.652
bonds (distance) P-C4' energy: -9.626
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -14.158
tors. eta vs tors. theta energy: -7.741
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: 8, replica: 3
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -140.323752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.323752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.323752 (E_RNA)
where:
Base-Base interactions energy: -88.061
where: short stacking energy: -37.988
Base-Backbone interact. energy: -0.295
local terms energy: -51.967867
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -8.832
flat angles P-C4'-P energy: -3.762
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: 9, replica: 5
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -97.029797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.029797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.029797 (E_RNA)
where:
Base-Base interactions energy: -41.579
where: short stacking energy: -26.592
Base-Backbone interact. energy: -0.633
local terms energy: -54.818481
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -11.463
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -2.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -82.259841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.259841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.259841 (E_RNA)
where:
Base-Base interactions energy: -20.836
where: short stacking energy: -21.199
Base-Backbone interact. energy: -1.547
local terms energy: -59.877027
where:
bonds (distance) C4'-P energy: -17.772
bonds (distance) P-C4' energy: -20.895
flat angles C4'-P-C4' energy: -11.264
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -0.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -227.700190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.700190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.700190 (E_RNA)
where:
Base-Base interactions energy: -147.199
where: short stacking energy: -67.483
Base-Backbone interact. energy: -0.324
local terms energy: -80.177671
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -19.541
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -14.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -229.111628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.111628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.111628 (E_RNA)
where:
Base-Base interactions energy: -147.266
where: short stacking energy: -82.737
Base-Backbone interact. energy: -0.016
local terms energy: -81.830053
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -17.832
flat angles P-C4'-P energy: -12.888
tors. eta vs tors. theta energy: -22.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -215.067881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.067881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.067881 (E_RNA)
where:
Base-Base interactions energy: -126.214
where: short stacking energy: -70.984
Base-Backbone interact. energy: -0.003
local terms energy: -88.851612
where:
bonds (distance) C4'-P energy: -18.483
bonds (distance) P-C4' energy: -19.387
flat angles C4'-P-C4' energy: -17.949
flat angles P-C4'-P energy: -12.916
tors. eta vs tors. theta energy: -20.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -196.139623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.139623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.139623 (E_RNA)
where:
Base-Base interactions energy: -126.684
where: short stacking energy: -53.931
Base-Backbone interact. energy: -0.120
local terms energy: -69.335744
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -19.013
flat angles C4'-P-C4' energy: -18.006
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -11.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -178.036758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.036758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.036758 (E_RNA)
where:
Base-Base interactions energy: -102.654
where: short stacking energy: -46.126
Base-Backbone interact. energy: -0.083
local terms energy: -75.300343
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -12.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -192.493016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.493016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.493016 (E_RNA)
where:
Base-Base interactions energy: -116.469
where: short stacking energy: -56.048
Base-Backbone interact. energy: 0.691
local terms energy: -76.715013
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -14.213
tors. eta vs tors. theta energy: -11.139
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: 3
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -173.510292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.510292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.510292 (E_RNA)
where:
Base-Base interactions energy: -101.865
where: short stacking energy: -53.697
Base-Backbone interact. energy: -0.116
local terms energy: -71.529127
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -15.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -103.965595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.965595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.965595 (E_RNA)
where:
Base-Base interactions energy: -47.156
where: short stacking energy: -38.605
Base-Backbone interact. energy: -0.111
local terms energy: -56.698621
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -18.037
flat angles P-C4'-P energy: -4.930
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: 9, replica: 5
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -92.091493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.091493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.091493 (E_RNA)
where:
Base-Base interactions energy: -37.525
where: short stacking energy: -37.525
Base-Backbone interact. energy: -0.010
local terms energy: -54.556053
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -11.821
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -4.862
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: 96
Temperature: 1.350000
Total energy: -85.289219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.289219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.289219 (E_RNA)
where:
Base-Base interactions energy: -29.530
where: short stacking energy: -28.239
Base-Backbone interact. energy: -0.117
local terms energy: -55.642320
where:
bonds (distance) C4'-P energy: -15.573
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -11.249
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: -1.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -228.232216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.232216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.232216 (E_RNA)
where:
Base-Base interactions energy: -149.827
where: short stacking energy: -69.668
Base-Backbone interact. energy: -0.303
local terms energy: -78.101430
where:
bonds (distance) C4'-P energy: -19.315
bonds (distance) P-C4' energy: -14.235
flat angles C4'-P-C4' energy: -18.064
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: -17.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -229.704772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.704772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.704772 (E_RNA)
where:
Base-Base interactions energy: -153.706
where: short stacking energy: -73.746
Base-Backbone interact. energy: -0.102
local terms energy: -75.896783
where:
bonds (distance) C4'-P energy: -10.678
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -16.940
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -20.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -215.963163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.963163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.963163 (E_RNA)
where:
Base-Base interactions energy: -134.052
where: short stacking energy: -67.502
Base-Backbone interact. energy: -0.044
local terms energy: -81.866561
where:
bonds (distance) C4'-P energy: -17.155
bonds (distance) P-C4' energy: -17.649
flat angles C4'-P-C4' energy: -17.657
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -17.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -202.892451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.892451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.892451 (E_RNA)
where:
Base-Base interactions energy: -118.323
where: short stacking energy: -61.721
Base-Backbone interact. energy: 1.058
local terms energy: -85.627231
where:
bonds (distance) C4'-P energy: -19.496
bonds (distance) P-C4' energy: -18.708
flat angles C4'-P-C4' energy: -21.651
flat angles P-C4'-P energy: -11.802
tors. eta vs tors. theta energy: -13.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -196.776479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.776479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.776479 (E_RNA)
where:
Base-Base interactions energy: -128.787
where: short stacking energy: -51.612
Base-Backbone interact. energy: -0.371
local terms energy: -67.619292
where:
bonds (distance) C4'-P energy: -17.238
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -8.157
tors. eta vs tors. theta energy: -9.110
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: 4
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -191.297020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.297020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.297020 (E_RNA)
where:
Base-Base interactions energy: -121.538
where: short stacking energy: -60.654
Base-Backbone interact. energy: -0.209
local terms energy: -69.549411
where:
bonds (distance) C4'-P energy: -12.883
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -13.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -170.244627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.244627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.244627 (E_RNA)
where:
Base-Base interactions energy: -103.373
where: short stacking energy: -54.088
Base-Backbone interact. energy: 0.471
local terms energy: -67.343153
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -17.301
flat angles C4'-P-C4' energy: -11.812
flat angles P-C4'-P energy: -14.307
tors. eta vs tors. theta energy: -10.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -91.617973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.617973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.617973 (E_RNA)
where:
Base-Base interactions energy: -41.461
where: short stacking energy: -33.849
Base-Backbone interact. energy: 0.486
local terms energy: -50.643386
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -14.583
flat angles C4'-P-C4' energy: -11.115
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -1.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -97.759424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.759424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.759424 (E_RNA)
where:
Base-Base interactions energy: -38.306
where: short stacking energy: -34.413
Base-Backbone interact. energy: -0.276
local terms energy: -59.177190
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -16.481
flat angles C4'-P-C4' energy: -11.827
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -3.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -89.283230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.283230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.283230 (E_RNA)
where:
Base-Base interactions energy: -36.906
where: short stacking energy: -34.721
Base-Backbone interact. energy: -0.426
local terms energy: -51.951335
where:
bonds (distance) C4'-P energy: -12.523
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -4.175
tors. eta vs tors. theta energy: -6.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -244.756249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.756249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.756249 (E_RNA)
where:
Base-Base interactions energy: -162.630
where: short stacking energy: -71.588
Base-Backbone interact. energy: -0.213
local terms energy: -81.913304
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -20.660
flat angles P-C4'-P energy: -6.287
tors. eta vs tors. theta energy: -22.447
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: 2, replica: 6
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -226.767270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.767270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.767270 (E_RNA)
where:
Base-Base interactions energy: -146.731
where: short stacking energy: -70.557
Base-Backbone interact. energy: -0.334
local terms energy: -79.701674
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -18.635
flat angles C4'-P-C4' energy: -17.093
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -17.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -197.745932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.745932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.745932 (E_RNA)
where:
Base-Base interactions energy: -121.036
where: short stacking energy: -61.149
Base-Backbone interact. energy: -0.281
local terms energy: -76.428653
where:
bonds (distance) C4'-P energy: -16.939
bonds (distance) P-C4' energy: -17.532
flat angles C4'-P-C4' energy: -18.210
flat angles P-C4'-P energy: -12.956
tors. eta vs tors. theta energy: -10.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -212.616094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.616094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.616094 (E_RNA)
where:
Base-Base interactions energy: -128.040
where: short stacking energy: -75.857
Base-Backbone interact. energy: -0.002
local terms energy: -84.573945
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -13.556
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: 5, replica: 4
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -206.527891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.527891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.527891 (E_RNA)
where:
Base-Base interactions energy: -137.244
where: short stacking energy: -60.026
Base-Backbone interact. energy: -0.155
local terms energy: -69.129073
where:
bonds (distance) C4'-P energy: -18.136
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -17.779
flat angles P-C4'-P energy: -7.009
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: 6, replica: 2
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -200.175990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.175990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.175990 (E_RNA)
where:
Base-Base interactions energy: -133.032
where: short stacking energy: -61.778
Base-Backbone interact. energy: -0.191
local terms energy: -66.953771
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -19.201
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -8.736
tors. eta vs tors. theta energy: -10.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -166.293287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.293287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.293287 (E_RNA)
where:
Base-Base interactions energy: -96.043
where: short stacking energy: -44.352
Base-Backbone interact. energy: -0.155
local terms energy: -70.095744
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -18.721
flat angles C4'-P-C4' energy: -16.122
flat angles P-C4'-P energy: -10.537
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: 8, replica: 5
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -97.434432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.434432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.434432 (E_RNA)
where:
Base-Base interactions energy: -41.875
where: short stacking energy: -41.875
Base-Backbone interact. energy: -0.204
local terms energy: -55.356083
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -10.149
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -14.384
tors. eta vs tors. theta energy: -6.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -81.561628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.561628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.561628 (E_RNA)
where:
Base-Base interactions energy: -30.535
where: short stacking energy: -30.535
Base-Backbone interact. energy: -0.222
local terms energy: -50.805158
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -10.888
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: 10, replica: 10
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -83.754624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.754624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.754624 (E_RNA)
where:
Base-Base interactions energy: -31.238
where: short stacking energy: -31.238
Base-Backbone interact. energy: -0.002
local terms energy: -52.514156
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -11.546
flat angles C4'-P-C4' energy: -10.358
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -7.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -237.288488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.288488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.288488 (E_RNA)
where:
Base-Base interactions energy: -154.537
where: short stacking energy: -67.303
Base-Backbone interact. energy: -0.103
local terms energy: -82.648666
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -20.638
flat angles C4'-P-C4' energy: -17.411
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -19.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -206.924901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.924901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.924901 (E_RNA)
where:
Base-Base interactions energy: -125.289
where: short stacking energy: -73.006
Base-Backbone interact. energy: -0.005
local terms energy: -81.630642
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -16.366
flat angles C4'-P-C4' energy: -20.138
flat angles P-C4'-P energy: -15.422
tors. eta vs tors. theta energy: -15.109
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: 6
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -224.036224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.036224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.036224 (E_RNA)
where:
Base-Base interactions energy: -140.771
where: short stacking energy: -72.053
Base-Backbone interact. energy: -0.109
local terms energy: -83.156380
where:
bonds (distance) C4'-P energy: -17.383
bonds (distance) P-C4' energy: -15.944
flat angles C4'-P-C4' energy: -20.470
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -17.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -215.709704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.709704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.709704 (E_RNA)
where:
Base-Base interactions energy: -135.183
where: short stacking energy: -85.060
Base-Backbone interact. energy: 0.404
local terms energy: -80.930143
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -23.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -192.783862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.783862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.783862 (E_RNA)
where:
Base-Base interactions energy: -118.495
where: short stacking energy: -66.196
Base-Backbone interact. energy: 0.030
local terms energy: -74.318837
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -9.929
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: 6, replica: 2
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -205.469860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.469860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.469860 (E_RNA)
where:
Base-Base interactions energy: -137.049
where: short stacking energy: -63.146
Base-Backbone interact. energy: -0.149
local terms energy: -68.272345
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -13.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -176.964353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.964353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.964353 (E_RNA)
where:
Base-Base interactions energy: -110.062
where: short stacking energy: -55.996
Base-Backbone interact. energy: -0.811
local terms energy: -66.091192
where:
bonds (distance) C4'-P energy: -17.301
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -7.825
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: 8, replica: 1
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -89.395332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.395332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.395332 (E_RNA)
where:
Base-Base interactions energy: -30.852
where: short stacking energy: -30.952
Base-Backbone interact. energy: 1.014
local terms energy: -59.557689
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -19.221
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: 2.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -89.683595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.683595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.683595 (E_RNA)
where:
Base-Base interactions energy: -41.548
where: short stacking energy: -37.940
Base-Backbone interact. energy: -0.316
local terms energy: -47.819105
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -17.763
flat angles C4'-P-C4' energy: -5.105
flat angles P-C4'-P energy: -6.085
tors. eta vs tors. theta energy: -2.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -96.163685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.163685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.163685 (E_RNA)
where:
Base-Base interactions energy: -34.833
where: short stacking energy: -27.363
Base-Backbone interact. energy: -0.383
local terms energy: -60.947503
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -10.698
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: 1, replica: 9
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -235.747657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.747657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.747657 (E_RNA)
where:
Base-Base interactions energy: -153.580
where: short stacking energy: -75.332
Base-Backbone interact. energy: -0.019
local terms energy: -82.148549
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -17.379
flat angles C4'-P-C4' energy: -18.228
flat angles P-C4'-P energy: -9.975
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: 2, replica: 7
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -221.614558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.614558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.614558 (E_RNA)
where:
Base-Base interactions energy: -136.212
where: short stacking energy: -78.517
Base-Backbone interact. energy: -0.001
local terms energy: -85.402007
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -19.120
flat angles P-C4'-P energy: -14.341
tors. eta vs tors. theta energy: -23.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -203.712777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.712777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.712777 (E_RNA)
where:
Base-Base interactions energy: -127.876
where: short stacking energy: -65.299
Base-Backbone interact. energy: -0.346
local terms energy: -75.490272
where:
bonds (distance) C4'-P energy: -16.900
bonds (distance) P-C4' energy: -20.048
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -13.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -212.926693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.926693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.926693 (E_RNA)
where:
Base-Base interactions energy: -129.588
where: short stacking energy: -75.960
Base-Backbone interact. energy: -0.003
local terms energy: -83.336090
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -17.532
flat angles P-C4'-P energy: -12.281
tors. eta vs tors. theta energy: -22.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -200.865159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.865159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.865159 (E_RNA)
where:
Base-Base interactions energy: -124.890
where: short stacking energy: -55.730
Base-Backbone interact. energy: -0.177
local terms energy: -75.798247
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -21.399
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -10.246
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: 4
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -189.437666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.437666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.437666 (E_RNA)
where:
Base-Base interactions energy: -117.682
where: short stacking energy: -60.907
Base-Backbone interact. energy: -0.040
local terms energy: -71.716244
where:
bonds (distance) C4'-P energy: -14.308
bonds (distance) P-C4' energy: -18.889
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -1.875
tors. eta vs tors. theta energy: -20.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -171.518387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.518387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.518387 (E_RNA)
where:
Base-Base interactions energy: -104.669
where: short stacking energy: -55.468
Base-Backbone interact. energy: 0.733
local terms energy: -67.583167
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -14.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -100.294718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.294718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.294718 (E_RNA)
where:
Base-Base interactions energy: -42.454
where: short stacking energy: -28.968
Base-Backbone interact. energy: -0.144
local terms energy: -57.696488
where:
bonds (distance) C4'-P energy: -16.889
bonds (distance) P-C4' energy: -19.049
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -8.070
tors. eta vs tors. theta energy: 1.530
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: 10
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -98.495187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.495187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.495187 (E_RNA)
where:
Base-Base interactions energy: -40.015
where: short stacking energy: -40.015
Base-Backbone interact. energy: 0.335
local terms energy: -58.815060
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -10.074
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: 10, replica: 5
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -81.276220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.276220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.276220 (E_RNA)
where:
Base-Base interactions energy: -22.987
where: short stacking energy: -22.987
Base-Backbone interact. energy: -0.165
local terms energy: -58.124301
where:
bonds (distance) C4'-P energy: -15.934
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -3.940
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: 9
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -242.374032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.374032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.374032 (E_RNA)
where:
Base-Base interactions energy: -153.813
where: short stacking energy: -76.976
Base-Backbone interact. energy: -0.167
local terms energy: -88.394468
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -17.941
flat angles P-C4'-P energy: -13.504
tors. eta vs tors. theta energy: -23.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -229.464252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.464252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.464252 (E_RNA)
where:
Base-Base interactions energy: -145.003
where: short stacking energy: -68.129
Base-Backbone interact. energy: 1.129
local terms energy: -85.590555
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -21.321
flat angles C4'-P-C4' energy: -19.200
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -18.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -225.335275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.335275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.335275 (E_RNA)
where:
Base-Base interactions energy: -139.645
where: short stacking energy: -88.446
Base-Backbone interact. energy: -0.043
local terms energy: -85.646530
where:
bonds (distance) C4'-P energy: -17.708
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -25.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -202.152993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.152993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.152993 (E_RNA)
where:
Base-Base interactions energy: -121.144
where: short stacking energy: -66.750
Base-Backbone interact. energy: -0.167
local terms energy: -80.842514
where:
bonds (distance) C4'-P energy: -9.453
bonds (distance) P-C4' energy: -20.546
flat angles C4'-P-C4' energy: -18.677
flat angles P-C4'-P energy: -15.775
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: 5, replica: 2
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -198.115891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.115891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.115891 (E_RNA)
where:
Base-Base interactions energy: -124.897
where: short stacking energy: -55.247
Base-Backbone interact. energy: -0.223
local terms energy: -72.996005
where:
bonds (distance) C4'-P energy: -18.554
bonds (distance) P-C4' energy: -16.438
flat angles C4'-P-C4' energy: -18.001
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -10.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -191.452529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.452529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.452529 (E_RNA)
where:
Base-Base interactions energy: -110.576
where: short stacking energy: -60.858
Base-Backbone interact. energy: -0.109
local terms energy: -80.767594
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -18.911
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -17.957
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: 3
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -160.021365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.021365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.021365 (E_RNA)
where:
Base-Base interactions energy: -103.873
where: short stacking energy: -46.527
Base-Backbone interact. energy: 0.367
local terms energy: -56.515618
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -18.730
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: -4.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -107.843649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.843649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.843649 (E_RNA)
where:
Base-Base interactions energy: -48.650
where: short stacking energy: -45.272
Base-Backbone interact. energy: -0.233
local terms energy: -58.960516
where:
bonds (distance) C4'-P energy: -10.203
bonds (distance) P-C4' energy: -11.489
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -12.368
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: 1
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -89.531393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.531393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.531393 (E_RNA)
where:
Base-Base interactions energy: -50.202
where: short stacking energy: -39.779
Base-Backbone interact. energy: -0.910
local terms energy: -38.419451
where:
bonds (distance) C4'-P energy: -9.098
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -7.739
flat angles P-C4'-P energy: -2.652
tors. eta vs tors. theta energy: -2.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -83.213042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.213042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.213042 (E_RNA)
where:
Base-Base interactions energy: -35.984
where: short stacking energy: -30.983
Base-Backbone interact. energy: -0.271
local terms energy: -46.957756
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -8.041
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: 8
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -236.348346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.348346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.348346 (E_RNA)
where:
Base-Base interactions energy: -152.886
where: short stacking energy: -68.159
Base-Backbone interact. energy: -0.032
local terms energy: -83.430107
where:
bonds (distance) C4'-P energy: -19.121
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -13.071
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: 2, replica: 9
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -239.548408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.548408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.548408 (E_RNA)
where:
Base-Base interactions energy: -151.631
where: short stacking energy: -72.475
Base-Backbone interact. energy: -0.306
local terms energy: -87.612261
where:
bonds (distance) C4'-P energy: -18.442
bonds (distance) P-C4' energy: -21.070
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -18.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -193.196963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.196963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.196963 (E_RNA)
where:
Base-Base interactions energy: -114.771
where: short stacking energy: -61.428
Base-Backbone interact. energy: -0.171
local terms energy: -78.255862
where:
bonds (distance) C4'-P energy: -18.387
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -13.560
tors. eta vs tors. theta energy: -13.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -202.409502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.409502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.409502 (E_RNA)
where:
Base-Base interactions energy: -130.601
where: short stacking energy: -63.899
Base-Backbone interact. energy: 0.109
local terms energy: -71.916788
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -9.502
flat angles P-C4'-P energy: -13.835
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: 5, replica: 4
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -193.603612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.603612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.603612 (E_RNA)
where:
Base-Base interactions energy: -117.273
where: short stacking energy: -58.384
Base-Backbone interact. energy: -0.060
local terms energy: -76.270356
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -20.792
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -14.127
tors. eta vs tors. theta energy: -14.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -166.866036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.866036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.866036 (E_RNA)
where:
Base-Base interactions energy: -96.022
where: short stacking energy: -47.894
Base-Backbone interact. energy: -0.615
local terms energy: -70.228541
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -12.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -168.087829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.087829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.087829 (E_RNA)
where:
Base-Base interactions energy: -96.385
where: short stacking energy: -50.581
Base-Backbone interact. energy: -0.201
local terms energy: -71.502104
where:
bonds (distance) C4'-P energy: -17.358
bonds (distance) P-C4' energy: -18.395
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -11.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -104.907709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.907709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.907709 (E_RNA)
where:
Base-Base interactions energy: -37.676
where: short stacking energy: -37.676
Base-Backbone interact. energy: -0.142
local terms energy: -67.089431
where:
bonds (distance) C4'-P energy: -17.936
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -6.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -93.932222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.932222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.932222 (E_RNA)
where:
Base-Base interactions energy: -27.582
where: short stacking energy: -27.268
Base-Backbone interact. energy: -0.044
local terms energy: -66.305863
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -18.032
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -2.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -100.034836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.034836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.034836 (E_RNA)
where:
Base-Base interactions energy: -41.986
where: short stacking energy: -32.570
Base-Backbone interact. energy: -0.154
local terms energy: -57.895145
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -16.930
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -2.254
tors. eta vs tors. theta energy: -8.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -232.074911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.074911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.074911 (E_RNA)
where:
Base-Base interactions energy: -149.141
where: short stacking energy: -73.855
Base-Backbone interact. energy: -0.054
local terms energy: -82.879271
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -17.271
flat angles C4'-P-C4' energy: -18.839
flat angles P-C4'-P energy: -14.193
tors. eta vs tors. theta energy: -16.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -240.975068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.975068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.975068 (E_RNA)
where:
Base-Base interactions energy: -158.176
where: short stacking energy: -75.191
Base-Backbone interact. energy: -0.100
local terms energy: -82.699549
where:
bonds (distance) C4'-P energy: -18.172
bonds (distance) P-C4' energy: -18.067
flat angles C4'-P-C4' energy: -17.839
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -18.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -212.194508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.194508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.194508 (E_RNA)
where:
Base-Base interactions energy: -126.066
where: short stacking energy: -69.753
Base-Backbone interact. energy: -0.819
local terms energy: -85.309581
where:
bonds (distance) C4'-P energy: -16.158
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -18.686
flat angles P-C4'-P energy: -12.657
tors. eta vs tors. theta energy: -19.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -194.542467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.542467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.542467 (E_RNA)
where:
Base-Base interactions energy: -119.684
where: short stacking energy: -59.479
Base-Backbone interact. energy: -0.684
local terms energy: -74.174124
where:
bonds (distance) C4'-P energy: -18.765
bonds (distance) P-C4' energy: -16.207
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: -14.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -188.871555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.871555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.871555 (E_RNA)
where:
Base-Base interactions energy: -117.908
where: short stacking energy: -58.095
Base-Backbone interact. energy: 0.895
local terms energy: -71.858744
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -12.751
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -16.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -168.725547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.725547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.725547 (E_RNA)
where:
Base-Base interactions energy: -96.337
where: short stacking energy: -45.077
Base-Backbone interact. energy: -0.032
local terms energy: -72.356321
where:
bonds (distance) C4'-P energy: -18.869
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -10.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -146.691688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.691688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.691688 (E_RNA)
where:
Base-Base interactions energy: -80.948
where: short stacking energy: -36.629
Base-Backbone interact. energy: 1.281
local terms energy: -67.025418
where:
bonds (distance) C4'-P energy: -17.117
bonds (distance) P-C4' energy: -19.463
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -6.231
tors. eta vs tors. theta energy: -9.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -96.480656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.480656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.480656 (E_RNA)
where:
Base-Base interactions energy: -34.981
where: short stacking energy: -33.719
Base-Backbone interact. energy: -0.488
local terms energy: -61.011018
where:
bonds (distance) C4'-P energy: -13.675
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: -5.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -84.271511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.271511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.271511 (E_RNA)
where:
Base-Base interactions energy: -22.205
where: short stacking energy: -22.205
Base-Backbone interact. energy: -0.263
local terms energy: -61.803774
where:
bonds (distance) C4'-P energy: -17.680
bonds (distance) P-C4' energy: -14.024
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -1.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -96.158314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.158314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.158314 (E_RNA)
where:
Base-Base interactions energy: -34.027
where: short stacking energy: -30.434
Base-Backbone interact. energy: 0.748
local terms energy: -62.879916
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -17.146
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -7.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -236.351819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.351819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.351819 (E_RNA)
where:
Base-Base interactions energy: -146.522
where: short stacking energy: -71.272
Base-Backbone interact. energy: -0.031
local terms energy: -89.799394
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -19.806
flat angles C4'-P-C4' energy: -18.978
flat angles P-C4'-P energy: -14.429
tors. eta vs tors. theta energy: -20.162
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: 8
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -232.327457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.327457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.327457 (E_RNA)
where:
Base-Base interactions energy: -151.751
where: short stacking energy: -74.132
Base-Backbone interact. energy: -0.091
local terms energy: -80.485345
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -19.363
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -20.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -204.181517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.181517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.181517 (E_RNA)
where:
Base-Base interactions energy: -133.648
where: short stacking energy: -65.822
Base-Backbone interact. energy: -0.203
local terms energy: -70.331032
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -18.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -202.731556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.731556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.731556 (E_RNA)
where:
Base-Base interactions energy: -128.217
where: short stacking energy: -72.513
Base-Backbone interact. energy: -0.049
local terms energy: -74.465458
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -11.145
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -21.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -175.583566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.583566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.583566 (E_RNA)
where:
Base-Base interactions energy: -105.825
where: short stacking energy: -58.373
Base-Backbone interact. energy: -0.069
local terms energy: -69.689242
where:
bonds (distance) C4'-P energy: -19.005
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -10.954
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: 6, replica: 7
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -182.135622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.135622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.135622 (E_RNA)
where:
Base-Base interactions energy: -106.129
where: short stacking energy: -65.202
Base-Backbone interact. energy: -0.413
local terms energy: -75.593450
where:
bonds (distance) C4'-P energy: -19.985
bonds (distance) P-C4' energy: -19.366
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -6.645
tors. eta vs tors. theta energy: -15.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -146.313803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.313803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.313803 (E_RNA)
where:
Base-Base interactions energy: -79.530
where: short stacking energy: -44.016
Base-Backbone interact. energy: -0.811
local terms energy: -65.972649
where:
bonds (distance) C4'-P energy: -17.498
bonds (distance) P-C4' energy: -20.104
flat angles C4'-P-C4' energy: -10.429
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -10.005
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: 8, replica: 5
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -96.583920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.583920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.583920 (E_RNA)
where:
Base-Base interactions energy: -44.217
where: short stacking energy: -36.916
Base-Backbone interact. energy: -0.200
local terms energy: -52.167131
where:
bonds (distance) C4'-P energy: -10.041
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -6.142
tors. eta vs tors. theta energy: -6.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -91.772707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.772707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.772707 (E_RNA)
where:
Base-Base interactions energy: -33.395
where: short stacking energy: -28.486
Base-Backbone interact. energy: -0.696
local terms energy: -57.681760
where:
bonds (distance) C4'-P energy: -17.896
bonds (distance) P-C4' energy: -18.298
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -5.026
tors. eta vs tors. theta energy: -1.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -85.461385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.461385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.461385 (E_RNA)
where:
Base-Base interactions energy: -30.499
where: short stacking energy: -29.189
Base-Backbone interact. energy: -0.106
local terms energy: -54.856055
where:
bonds (distance) C4'-P energy: -8.966
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -7.000
tors. eta vs tors. theta energy: -3.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -232.530309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.530309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.530309 (E_RNA)
where:
Base-Base interactions energy: -146.121
where: short stacking energy: -74.535
Base-Backbone interact. energy: -0.023
local terms energy: -86.386310
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -17.653
flat angles P-C4'-P energy: -13.833
tors. eta vs tors. theta energy: -22.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -218.530824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.530824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.530824 (E_RNA)
where:
Base-Base interactions energy: -138.260
where: short stacking energy: -75.560
Base-Backbone interact. energy: -0.345
local terms energy: -79.926571
where:
bonds (distance) C4'-P energy: -18.215
bonds (distance) P-C4' energy: -13.072
flat angles C4'-P-C4' energy: -19.362
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -19.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -221.488143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.488143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.488143 (E_RNA)
where:
Base-Base interactions energy: -143.285
where: short stacking energy: -74.187
Base-Backbone interact. energy: -0.098
local terms energy: -78.104801
where:
bonds (distance) C4'-P energy: -16.925
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -10.298
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: 4, replica: 6
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -202.395261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.395261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.395261 (E_RNA)
where:
Base-Base interactions energy: -122.374
where: short stacking energy: -62.276
Base-Backbone interact. energy: -0.085
local terms energy: -79.936528
where:
bonds (distance) C4'-P energy: -18.669
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -12.192
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: 5, replica: 3
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -168.884849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.884849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.884849 (E_RNA)
where:
Base-Base interactions energy: -110.078
where: short stacking energy: -47.924
Base-Backbone interact. energy: -0.168
local terms energy: -58.638292
where:
bonds (distance) C4'-P energy: -11.225
bonds (distance) P-C4' energy: -17.587
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -7.924
tors. eta vs tors. theta energy: -6.491
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: 105
Temperature: 1.150000
Total energy: -187.963467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.963467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.963467 (E_RNA)
where:
Base-Base interactions energy: -117.490
where: short stacking energy: -59.133
Base-Backbone interact. energy: -0.175
local terms energy: -70.298492
where:
bonds (distance) C4'-P energy: -10.539
bonds (distance) P-C4' energy: -19.108
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -14.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -171.337819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.337819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.337819 (E_RNA)
where:
Base-Base interactions energy: -98.361
where: short stacking energy: -42.276
Base-Backbone interact. energy: -0.091
local terms energy: -72.885352
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -19.019
flat angles C4'-P-C4' energy: -18.801
flat angles P-C4'-P energy: -12.522
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: 8, replica: 1
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -121.241445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.241445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.241445 (E_RNA)
where:
Base-Base interactions energy: -55.262
where: short stacking energy: -55.262
Base-Backbone interact. energy: -0.002
local terms energy: -65.977542
where:
bonds (distance) C4'-P energy: -15.592
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -6.633
tors. eta vs tors. theta energy: -13.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -92.547610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.547610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.547610 (E_RNA)
where:
Base-Base interactions energy: -30.481
where: short stacking energy: -29.121
Base-Backbone interact. energy: -0.081
local terms energy: -61.986032
where:
bonds (distance) C4'-P energy: -18.640
bonds (distance) P-C4' energy: -17.459
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: -1.777
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: 105
Temperature: 1.350000
Total energy: -100.884258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.884258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.884258 (E_RNA)
where:
Base-Base interactions energy: -41.523
where: short stacking energy: -18.609
Base-Backbone interact. energy: -0.018
local terms energy: -59.343028
where:
bonds (distance) C4'-P energy: -17.548
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -11.033
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -4.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -233.187355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.187355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.187355 (E_RNA)
where:
Base-Base interactions energy: -150.434
where: short stacking energy: -72.677
Base-Backbone interact. energy: -0.069
local terms energy: -82.684631
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -19.006
flat angles C4'-P-C4' energy: -18.953
flat angles P-C4'-P energy: -10.459
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: 2, replica: 4
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -219.222975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.222975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.222975 (E_RNA)
where:
Base-Base interactions energy: -141.972
where: short stacking energy: -75.522
Base-Backbone interact. energy: -0.815
local terms energy: -76.436030
where:
bonds (distance) C4'-P energy: -17.667
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -11.163
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: 3, replica: 8
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -227.115405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.115405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.115405 (E_RNA)
where:
Base-Base interactions energy: -144.782
where: short stacking energy: -71.808
Base-Backbone interact. energy: -0.271
local terms energy: -82.061890
where:
bonds (distance) C4'-P energy: -18.053
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -17.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -199.373074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.373074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.373074 (E_RNA)
where:
Base-Base interactions energy: -121.313
where: short stacking energy: -71.684
Base-Backbone interact. energy: -0.043
local terms energy: -78.016938
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -19.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -202.305770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.305770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.305770 (E_RNA)
where:
Base-Base interactions energy: -128.225
where: short stacking energy: -53.325
Base-Backbone interact. energy: -0.091
local terms energy: -73.989770
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -16.360
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: 106
Temperature: 1.150000
Total energy: -156.962894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.962894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.962894 (E_RNA)
where:
Base-Base interactions energy: -85.534
where: short stacking energy: -40.500
Base-Backbone interact. energy: -0.763
local terms energy: -70.665490
where:
bonds (distance) C4'-P energy: -19.539
bonds (distance) P-C4' energy: -19.380
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -5.643
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: 106
Temperature: 1.200000
Total energy: -165.236917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.236917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.236917 (E_RNA)
where:
Base-Base interactions energy: -98.623
where: short stacking energy: -44.259
Base-Backbone interact. energy: -0.154
local terms energy: -66.459433
where:
bonds (distance) C4'-P energy: -16.407
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -10.294
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: 8, replica: 1
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -105.003004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.003004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.003004 (E_RNA)
where:
Base-Base interactions energy: -53.361
where: short stacking energy: -24.483
Base-Backbone interact. energy: -0.190
local terms energy: -51.452764
where:
bonds (distance) C4'-P energy: -17.980
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -11.037
flat angles P-C4'-P energy: -6.216
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: 9, replica: 10
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -88.418446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.418446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.418446 (E_RNA)
where:
Base-Base interactions energy: -39.872
where: short stacking energy: -38.657
Base-Backbone interact. energy: -0.242
local terms energy: -48.304190
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -11.424
flat angles P-C4'-P energy: -7.504
tors. eta vs tors. theta energy: 0.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -83.736911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.736911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.736911 (E_RNA)
where:
Base-Base interactions energy: -34.305
where: short stacking energy: -34.305
Base-Backbone interact. energy: -0.058
local terms energy: -49.373291
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -8.415
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: -5.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -243.435341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.435341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.435341 (E_RNA)
where:
Base-Base interactions energy: -165.525
where: short stacking energy: -79.248
Base-Backbone interact. energy: -0.196
local terms energy: -77.714469
where:
bonds (distance) C4'-P energy: -17.614
bonds (distance) P-C4' energy: -10.146
flat angles C4'-P-C4' energy: -19.806
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -19.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -231.481599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.481599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.481599 (E_RNA)
where:
Base-Base interactions energy: -144.108
where: short stacking energy: -68.992
Base-Backbone interact. energy: -0.100
local terms energy: -87.273058
where:
bonds (distance) C4'-P energy: -20.366
bonds (distance) P-C4' energy: -19.957
flat angles C4'-P-C4' energy: -18.737
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -17.378
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: 4
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -204.405788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.405788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.405788 (E_RNA)
where:
Base-Base interactions energy: -132.198
where: short stacking energy: -75.722
Base-Backbone interact. energy: -0.221
local terms energy: -71.986781
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -12.013
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -12.108
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: 4, replica: 2
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -218.315437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.315437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.315437 (E_RNA)
where:
Base-Base interactions energy: -138.543
where: short stacking energy: -78.154
Base-Backbone interact. energy: -0.006
local terms energy: -79.765661
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: -18.859
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: 6
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -204.737721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.737721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.737721 (E_RNA)
where:
Base-Base interactions energy: -123.343
where: short stacking energy: -68.080
Base-Backbone interact. energy: -0.306
local terms energy: -81.088610
where:
bonds (distance) C4'-P energy: -18.338
bonds (distance) P-C4' energy: -17.113
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: -17.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -182.036470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.036470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.036470 (E_RNA)
where:
Base-Base interactions energy: -115.716
where: short stacking energy: -57.561
Base-Backbone interact. energy: -0.136
local terms energy: -66.184318
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -11.090
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -10.458
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: 7, replica: 3
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -184.274689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.274689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.274689 (E_RNA)
where:
Base-Base interactions energy: -108.793
where: short stacking energy: -60.936
Base-Backbone interact. energy: -0.009
local terms energy: -75.472430
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -12.365
tors. eta vs tors. theta energy: -15.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -108.522814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.522814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.522814 (E_RNA)
where:
Base-Base interactions energy: -47.447
where: short stacking energy: -47.137
Base-Backbone interact. energy: 1.851
local terms energy: -62.926938
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -11.987
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: -11.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -90.471905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.471905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.471905 (E_RNA)
where:
Base-Base interactions energy: -35.578
where: short stacking energy: -35.578
Base-Backbone interact. energy: -0.303
local terms energy: -54.590956
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -5.626
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: 5
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -98.021644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.021644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.021644 (E_RNA)
where:
Base-Base interactions energy: -44.622
where: short stacking energy: -35.711
Base-Backbone interact. energy: -0.118
local terms energy: -53.281923
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -9.973
flat angles C4'-P-C4' energy: -8.977
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -9.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -236.561644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.561644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.561644 (E_RNA)
where:
Base-Base interactions energy: -162.568
where: short stacking energy: -76.203
Base-Backbone interact. energy: -0.537
local terms energy: -73.456112
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -18.222
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -19.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -236.831878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.831878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.831878 (E_RNA)
where:
Base-Base interactions energy: -156.813
where: short stacking energy: -80.362
Base-Backbone interact. energy: -0.087
local terms energy: -79.932206
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -16.152
flat angles P-C4'-P energy: -13.572
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: 3, replica: 2
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -222.869627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.869627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.869627 (E_RNA)
where:
Base-Base interactions energy: -136.752
where: short stacking energy: -72.052
Base-Backbone interact. energy: -0.504
local terms energy: -85.614412
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -19.560
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -24.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -186.337625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.337625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.337625 (E_RNA)
where:
Base-Base interactions energy: -108.646
where: short stacking energy: -61.631
Base-Backbone interact. energy: -0.135
local terms energy: -77.556267
where:
bonds (distance) C4'-P energy: -18.577
bonds (distance) P-C4' energy: -18.984
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -17.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -202.408337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.408337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.408337 (E_RNA)
where:
Base-Base interactions energy: -128.377
where: short stacking energy: -54.494
Base-Backbone interact. energy: -0.410
local terms energy: -73.621738
where:
bonds (distance) C4'-P energy: -19.241
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -12.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -171.767620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.767620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.767620 (E_RNA)
where:
Base-Base interactions energy: -111.252
where: short stacking energy: -51.767
Base-Backbone interact. energy: -0.147
local terms energy: -60.368778
where:
bonds (distance) C4'-P energy: -16.580
bonds (distance) P-C4' energy: -12.843
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -4.171
tors. eta vs tors. theta energy: -11.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -182.526563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.526563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.526563 (E_RNA)
where:
Base-Base interactions energy: -116.237
where: short stacking energy: -53.751
Base-Backbone interact. energy: -0.133
local terms energy: -66.156734
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -12.597
flat angles P-C4'-P energy: -7.149
tors. eta vs tors. theta energy: -14.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -92.952990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.952990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.952990 (E_RNA)
where:
Base-Base interactions energy: -39.963
where: short stacking energy: -37.872
Base-Backbone interact. energy: 1.064
local terms energy: -54.054407
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -5.735
tors. eta vs tors. theta energy: -7.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -102.809175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.809175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.809175 (E_RNA)
where:
Base-Base interactions energy: -42.366
where: short stacking energy: -42.366
Base-Backbone interact. energy: -0.069
local terms energy: -60.374649
where:
bonds (distance) C4'-P energy: -11.862
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -4.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -93.804025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.804025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.804025 (E_RNA)
where:
Base-Base interactions energy: -32.913
where: short stacking energy: -32.913
Base-Backbone interact. energy: -0.134
local terms energy: -60.756894
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -17.956
flat angles P-C4'-P energy: -10.137
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: 9
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -236.450813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.450813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.450813 (E_RNA)
where:
Base-Base interactions energy: -156.609
where: short stacking energy: -72.620
Base-Backbone interact. energy: -0.120
local terms energy: -79.721818
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -20.756
flat angles P-C4'-P energy: -12.561
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: 2, replica: 8
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -238.840615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.840615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.840615 (E_RNA)
where:
Base-Base interactions energy: -155.115
where: short stacking energy: -77.917
Base-Backbone interact. energy: -0.086
local terms energy: -83.639736
where:
bonds (distance) C4'-P energy: -16.773
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -19.520
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -19.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -215.442532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.442532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.442532 (E_RNA)
where:
Base-Base interactions energy: -137.331
where: short stacking energy: -66.142
Base-Backbone interact. energy: -0.077
local terms energy: -78.034143
where:
bonds (distance) C4'-P energy: -17.688
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -18.116
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: 4
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -190.680091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.680091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.680091 (E_RNA)
where:
Base-Base interactions energy: -111.003
where: short stacking energy: -47.661
Base-Backbone interact. energy: -0.092
local terms energy: -79.585354
where:
bonds (distance) C4'-P energy: -17.308
bonds (distance) P-C4' energy: -17.571
flat angles C4'-P-C4' energy: -17.877
flat angles P-C4'-P energy: -14.199
tors. eta vs tors. theta energy: -12.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -199.230151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.230151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.230151 (E_RNA)
where:
Base-Base interactions energy: -120.623
where: short stacking energy: -53.805
Base-Backbone interact. energy: -0.243
local terms energy: -78.364132
where:
bonds (distance) C4'-P energy: -17.907
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -19.760
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -13.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -184.804238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.804238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.804238 (E_RNA)
where:
Base-Base interactions energy: -127.645
where: short stacking energy: -56.179
Base-Backbone interact. energy: 0.274
local terms energy: -57.433142
where:
bonds (distance) C4'-P energy: -8.919
bonds (distance) P-C4' energy: -9.111
flat angles C4'-P-C4' energy: -16.853
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -10.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -165.213389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.213389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.213389 (E_RNA)
where:
Base-Base interactions energy: -108.656
where: short stacking energy: -56.690
Base-Backbone interact. energy: -0.424
local terms energy: -56.133688
where:
bonds (distance) C4'-P energy: -5.247
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -11.456
flat angles P-C4'-P energy: -13.337
tors. eta vs tors. theta energy: -9.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -105.330539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.330539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.330539 (E_RNA)
where:
Base-Base interactions energy: -50.177
where: short stacking energy: -50.177
Base-Backbone interact. energy: 0.269
local terms energy: -55.422087
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -11.551
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -3.038
tors. eta vs tors. theta energy: -12.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -88.856448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.856448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.856448 (E_RNA)
where:
Base-Base interactions energy: -32.979
where: short stacking energy: -33.211
Base-Backbone interact. energy: -0.165
local terms energy: -55.712016
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -10.496
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: 10
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -78.748655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.748655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.748655 (E_RNA)
where:
Base-Base interactions energy: -26.405
where: short stacking energy: -26.405
Base-Backbone interact. energy: -0.277
local terms energy: -52.066468
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -8.611
flat angles P-C4'-P energy: -7.452
tors. eta vs tors. theta energy: -3.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -233.481088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.481088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.481088 (E_RNA)
where:
Base-Base interactions energy: -157.279
where: short stacking energy: -75.129
Base-Backbone interact. energy: -0.096
local terms energy: -76.106793
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -17.688
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: -19.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -233.030140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.030140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.030140 (E_RNA)
where:
Base-Base interactions energy: -154.398
where: short stacking energy: -74.735
Base-Backbone interact. energy: -0.075
local terms energy: -78.556512
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -17.655
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -19.739
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: 4
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -194.630999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.630999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.630999 (E_RNA)
where:
Base-Base interactions energy: -123.861
where: short stacking energy: -52.513
Base-Backbone interact. energy: -0.786
local terms energy: -69.984222
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -11.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -206.816363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.816363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.816363 (E_RNA)
where:
Base-Base interactions energy: -133.826
where: short stacking energy: -62.719
Base-Backbone interact. energy: -0.203
local terms energy: -72.787800
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -17.904
flat angles C4'-P-C4' energy: -16.526
flat angles P-C4'-P energy: -13.193
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: 5, replica: 3
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -186.115036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.115036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.115036 (E_RNA)
where:
Base-Base interactions energy: -113.267
where: short stacking energy: -63.304
Base-Backbone interact. energy: -0.208
local terms energy: -72.639925
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -17.356
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -11.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -191.652575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.652575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.652575 (E_RNA)
where:
Base-Base interactions energy: -115.429
where: short stacking energy: -60.958
Base-Backbone interact. energy: -0.038
local terms energy: -76.185696
where:
bonds (distance) C4'-P energy: -16.683
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -15.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -139.392545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.392545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.392545 (E_RNA)
where:
Base-Base interactions energy: -80.034
where: short stacking energy: -43.197
Base-Backbone interact. energy: -0.200
local terms energy: -59.158756
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -4.379
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: 5
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -97.776986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.776986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.776986 (E_RNA)
where:
Base-Base interactions energy: -45.891
where: short stacking energy: -43.940
Base-Backbone interact. energy: -0.168
local terms energy: -51.718148
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -10.087
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: -4.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -96.909431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.909431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.909431 (E_RNA)
where:
Base-Base interactions energy: -44.664
where: short stacking energy: -20.203
Base-Backbone interact. energy: 0.321
local terms energy: -52.566509
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -11.363
flat angles P-C4'-P energy: -8.543
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: 10, replica: 10
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -84.305682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.305682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.305682 (E_RNA)
where:
Base-Base interactions energy: -26.537
where: short stacking energy: -24.455
Base-Backbone interact. energy: 1.573
local terms energy: -59.340905
where:
bonds (distance) C4'-P energy: -15.392
bonds (distance) P-C4' energy: -17.306
flat angles C4'-P-C4' energy: -12.258
flat angles P-C4'-P energy: -14.711
tors. eta vs tors. theta energy: 0.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -233.857965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.857965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.857965 (E_RNA)
where:
Base-Base interactions energy: -143.815
where: short stacking energy: -70.740
Base-Backbone interact. energy: -0.052
local terms energy: -89.990989
where:
bonds (distance) C4'-P energy: -17.900
bonds (distance) P-C4' energy: -18.373
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -14.721
tors. eta vs tors. theta energy: -23.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -226.196051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.196051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.196051 (E_RNA)
where:
Base-Base interactions energy: -145.099
where: short stacking energy: -71.630
Base-Backbone interact. energy: -0.048
local terms energy: -81.048400
where:
bonds (distance) C4'-P energy: -15.753
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -13.866
tors. eta vs tors. theta energy: -18.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -209.384011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.384011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.384011 (E_RNA)
where:
Base-Base interactions energy: -131.039
where: short stacking energy: -53.812
Base-Backbone interact. energy: -0.399
local terms energy: -77.946100
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -19.573
flat angles C4'-P-C4' energy: -18.156
flat angles P-C4'-P energy: -11.737
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: 4, replica: 3
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -184.249308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.249308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.249308 (E_RNA)
where:
Base-Base interactions energy: -111.947
where: short stacking energy: -53.238
Base-Backbone interact. energy: -0.270
local terms energy: -72.032887
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -19.160
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -12.716
tors. eta vs tors. theta energy: -11.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -206.776468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.776468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.776468 (E_RNA)
where:
Base-Base interactions energy: -126.719
where: short stacking energy: -70.069
Base-Backbone interact. energy: -0.082
local terms energy: -79.975670
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -10.156
flat angles C4'-P-C4' energy: -19.909
flat angles P-C4'-P energy: -11.759
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: 6
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -159.184453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.184453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.184453 (E_RNA)
where:
Base-Base interactions energy: -90.246
where: short stacking energy: -53.319
Base-Backbone interact. energy: -0.101
local terms energy: -68.837569
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -14.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -163.015582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.015582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.015582 (E_RNA)
where:
Base-Base interactions energy: -90.937
where: short stacking energy: -50.457
Base-Backbone interact. energy: -0.123
local terms energy: -71.956242
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -18.481
flat angles C4'-P-C4' energy: -18.882
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -13.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -120.018092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.018092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.018092 (E_RNA)
where:
Base-Base interactions energy: -56.958
where: short stacking energy: -36.377
Base-Backbone interact. energy: -0.676
local terms energy: -62.383270
where:
bonds (distance) C4'-P energy: -17.185
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -17.931
flat angles P-C4'-P energy: -9.443
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: 5
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -95.085474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.085474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.085474 (E_RNA)
where:
Base-Base interactions energy: -34.626
where: short stacking energy: -34.626
Base-Backbone interact. energy: -0.079
local terms energy: -60.379989
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -11.373
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -6.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -86.354471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.354471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.354471 (E_RNA)
where:
Base-Base interactions energy: -51.438
where: short stacking energy: -16.306
Base-Backbone interact. energy: 0.527
local terms energy: -35.443192
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -6.079
flat angles P-C4'-P energy: -8.493
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: 1, replica: 9
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -236.381342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.381342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.381342 (E_RNA)
where:
Base-Base interactions energy: -161.667
where: short stacking energy: -70.286
Base-Backbone interact. energy: -0.699
local terms energy: -74.016008
where:
bonds (distance) C4'-P energy: -19.220
bonds (distance) P-C4' energy: -13.879
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -15.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -242.816807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.816807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.816807 (E_RNA)
where:
Base-Base interactions energy: -162.271
where: short stacking energy: -81.404
Base-Backbone interact. energy: -0.111
local terms energy: -80.434623
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -17.046
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -21.927
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: 4
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -198.296701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.296701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.296701 (E_RNA)
where:
Base-Base interactions energy: -128.467
where: short stacking energy: -64.356
Base-Backbone interact. energy: -0.012
local terms energy: -69.817941
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -11.854
flat angles P-C4'-P energy: -6.815
tors. eta vs tors. theta energy: -18.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -203.437054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.437054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.437054 (E_RNA)
where:
Base-Base interactions energy: -125.231
where: short stacking energy: -56.022
Base-Backbone interact. energy: -0.099
local terms energy: -78.107448
where:
bonds (distance) C4'-P energy: -17.464
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -13.721
tors. eta vs tors. theta energy: -17.671
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: 2
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -199.122022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.122022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.122022 (E_RNA)
where:
Base-Base interactions energy: -119.010
where: short stacking energy: -58.586
Base-Backbone interact. energy: -0.049
local terms energy: -80.063830
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -19.562
flat angles C4'-P-C4' energy: -18.704
flat angles P-C4'-P energy: -13.354
tors. eta vs tors. theta energy: -12.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -148.690627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.690627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.690627 (E_RNA)
where:
Base-Base interactions energy: -75.614
where: short stacking energy: -45.692
Base-Backbone interact. energy: -0.130
local terms energy: -72.946389
where:
bonds (distance) C4'-P energy: -19.444
bonds (distance) P-C4' energy: -15.826
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -11.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -175.426558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.426558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.426558 (E_RNA)
where:
Base-Base interactions energy: -107.326
where: short stacking energy: -52.708
Base-Backbone interact. energy: -0.021
local terms energy: -68.079640
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -13.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -144.579019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.579019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.579019 (E_RNA)
where:
Base-Base interactions energy: -73.693
where: short stacking energy: -35.749
Base-Backbone interact. energy: -0.192
local terms energy: -70.693256
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -13.328
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -9.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -89.874161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.874161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.874161 (E_RNA)
where:
Base-Base interactions energy: -34.371
where: short stacking energy: -19.106
Base-Backbone interact. energy: -0.433
local terms energy: -55.070641
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -19.070
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: 1.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -85.971778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.971778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.971778 (E_RNA)
where:
Base-Base interactions energy: -33.429
where: short stacking energy: -33.434
Base-Backbone interact. energy: 0.585
local terms energy: -53.127093
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -16.408
flat angles C4'-P-C4' energy: -10.604
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -1.502
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: 9
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -237.039821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.039821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.039821 (E_RNA)
where:
Base-Base interactions energy: -156.549
where: short stacking energy: -76.485
Base-Backbone interact. energy: -0.220
local terms energy: -80.270571
where:
bonds (distance) C4'-P energy: -18.778
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -11.679
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: 2, replica: 8
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -240.295055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.295055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.295055 (E_RNA)
where:
Base-Base interactions energy: -155.323
where: short stacking energy: -77.854
Base-Backbone interact. energy: -0.165
local terms energy: -84.807492
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -20.002
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -19.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -193.313239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.313239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.313239 (E_RNA)
where:
Base-Base interactions energy: -124.526
where: short stacking energy: -53.362
Base-Backbone interact. energy: -0.197
local terms energy: -68.589439
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -9.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -204.024020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.024020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.024020 (E_RNA)
where:
Base-Base interactions energy: -116.377
where: short stacking energy: -61.502
Base-Backbone interact. energy: -0.358
local terms energy: -87.288859
where:
bonds (distance) C4'-P energy: -16.510
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -13.078
tors. eta vs tors. theta energy: -22.973
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: 2
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -185.568359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.568359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.568359 (E_RNA)
where:
Base-Base interactions energy: -109.748
where: short stacking energy: -65.012
Base-Backbone interact. energy: -0.090
local terms energy: -75.731215
where:
bonds (distance) C4'-P energy: -16.273
bonds (distance) P-C4' energy: -19.693
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -14.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -180.439153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.439153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.439153 (E_RNA)
where:
Base-Base interactions energy: -110.101
where: short stacking energy: -61.473
Base-Backbone interact. energy: -0.024
local terms energy: -70.314601
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -16.809
flat angles C4'-P-C4' energy: -16.284
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -16.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -145.078637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.078637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.078637 (E_RNA)
where:
Base-Base interactions energy: -78.660
where: short stacking energy: -48.949
Base-Backbone interact. energy: -0.052
local terms energy: -66.366248
where:
bonds (distance) C4'-P energy: -9.384
bonds (distance) P-C4' energy: -20.448
flat angles C4'-P-C4' energy: -18.616
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: -6.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -140.955181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.955181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.955181 (E_RNA)
where:
Base-Base interactions energy: -80.943
where: short stacking energy: -41.194
Base-Backbone interact. energy: -0.114
local terms energy: -59.898224
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -18.107
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -7.653
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: 9, replica: 5
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -128.624402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.624402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.624402 (E_RNA)
where:
Base-Base interactions energy: -75.384
where: short stacking energy: -27.411
Base-Backbone interact. energy: -0.133
local terms energy: -53.107599
where:
bonds (distance) C4'-P energy: -16.897
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -5.089
tors. eta vs tors. theta energy: -0.673
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: 113
Temperature: 1.350000
Total energy: -85.837390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.837390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.837390 (E_RNA)
where:
Base-Base interactions energy: -31.269
where: short stacking energy: -30.714
Base-Backbone interact. energy: 0.071
local terms energy: -54.639436
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -21.110
flat angles C4'-P-C4' energy: -7.276
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -2.103
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: 1, replica: 8
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -244.473355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.473355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.473355 (E_RNA)
where:
Base-Base interactions energy: -160.124
where: short stacking energy: -79.861
Base-Backbone interact. energy: -0.199
local terms energy: -84.149591
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -18.657
flat angles C4'-P-C4' energy: -17.321
flat angles P-C4'-P energy: -10.070
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: 2, replica: 9
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -228.563022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.563022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.563022 (E_RNA)
where:
Base-Base interactions energy: -141.606
where: short stacking energy: -62.492
Base-Backbone interact. energy: -0.084
local terms energy: -86.873225
where:
bonds (distance) C4'-P energy: -18.553
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -20.092
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -18.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -201.176206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.176206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.176206 (E_RNA)
where:
Base-Base interactions energy: -125.258
where: short stacking energy: -65.224
Base-Backbone interact. energy: -0.169
local terms energy: -75.748708
where:
bonds (distance) C4'-P energy: -17.358
bonds (distance) P-C4' energy: -17.875
flat angles C4'-P-C4' energy: -16.953
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: -12.509
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: 4
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -186.771309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.771309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.771309 (E_RNA)
where:
Base-Base interactions energy: -120.020
where: short stacking energy: -42.649
Base-Backbone interact. energy: 0.279
local terms energy: -67.030151
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -19.997
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -12.533
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: 5, replica: 2
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -213.602211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.602211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.602211 (E_RNA)
where:
Base-Base interactions energy: -140.174
where: short stacking energy: -66.360
Base-Backbone interact. energy: -0.098
local terms energy: -73.330079
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: -18.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -179.912980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.912980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.912980 (E_RNA)
where:
Base-Base interactions energy: -110.726
where: short stacking energy: -58.162
Base-Backbone interact. energy: -0.165
local terms energy: -69.022436
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: -12.326
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: 1
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -149.473507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.473507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.473507 (E_RNA)
where:
Base-Base interactions energy: -81.687
where: short stacking energy: -47.497
Base-Backbone interact. energy: -0.035
local terms energy: -67.752053
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -17.666
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -11.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -142.025374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.025374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.025374 (E_RNA)
where:
Base-Base interactions energy: -83.008
where: short stacking energy: -51.459
Base-Backbone interact. energy: -0.245
local terms energy: -58.772619
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -6.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -94.124139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.124139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.124139 (E_RNA)
where:
Base-Base interactions energy: -36.384
where: short stacking energy: -28.063
Base-Backbone interact. energy: -0.202
local terms energy: -57.538966
where:
bonds (distance) C4'-P energy: -18.285
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -4.008
tors. eta vs tors. theta energy: -4.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -89.234639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.234639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.234639 (E_RNA)
where:
Base-Base interactions energy: -33.056
where: short stacking energy: -33.056
Base-Backbone interact. energy: -0.163
local terms energy: -56.015523
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -2.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -246.398088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.398088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.398088 (E_RNA)
where:
Base-Base interactions energy: -161.427
where: short stacking energy: -79.728
Base-Backbone interact. energy: -0.106
local terms energy: -84.864471
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -14.044
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: 2, replica: 9
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -237.644691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.644691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.644691 (E_RNA)
where:
Base-Base interactions energy: -156.322
where: short stacking energy: -71.218
Base-Backbone interact. energy: -0.125
local terms energy: -81.197409
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -18.728
flat angles C4'-P-C4' energy: -16.947
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -16.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -204.014940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.014940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.014940 (E_RNA)
where:
Base-Base interactions energy: -129.546
where: short stacking energy: -73.661
Base-Backbone interact. energy: 0.357
local terms energy: -74.825860
where:
bonds (distance) C4'-P energy: -12.237
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -19.580
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -17.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -215.147981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.147981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.147981 (E_RNA)
where:
Base-Base interactions energy: -129.823
where: short stacking energy: -76.456
Base-Backbone interact. energy: 0.349
local terms energy: -85.673409
where:
bonds (distance) C4'-P energy: -17.095
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -19.696
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -20.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -193.989556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.989556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.989556 (E_RNA)
where:
Base-Base interactions energy: -129.303
where: short stacking energy: -56.855
Base-Backbone interact. energy: -0.218
local terms energy: -64.468569
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -11.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -141.461474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.461474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.461474 (E_RNA)
where:
Base-Base interactions energy: -86.988
where: short stacking energy: -45.225
Base-Backbone interact. energy: -0.092
local terms energy: -54.382259
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -3.476
tors. eta vs tors. theta energy: -7.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -163.307435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.307435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.307435 (E_RNA)
where:
Base-Base interactions energy: -99.175
where: short stacking energy: -48.430
Base-Backbone interact. energy: -0.007
local terms energy: -64.125421
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -17.712
flat angles C4'-P-C4' energy: -19.507
flat angles P-C4'-P energy: -6.484
tors. eta vs tors. theta energy: -7.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -148.496415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.496415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.496415 (E_RNA)
where:
Base-Base interactions energy: -86.784
where: short stacking energy: -36.310
Base-Backbone interact. energy: -0.151
local terms energy: -61.561715
where:
bonds (distance) C4'-P energy: -11.816
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -7.716
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: 9, replica: 5
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -122.133079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.133079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.133079 (E_RNA)
where:
Base-Base interactions energy: -75.508
where: short stacking energy: -40.562
Base-Backbone interact. energy: -0.149
local terms energy: -46.475839
where:
bonds (distance) C4'-P energy: -9.413
bonds (distance) P-C4' energy: -12.239
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -3.333
tors. eta vs tors. theta energy: -5.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -81.303126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.303126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.303126 (E_RNA)
where:
Base-Base interactions energy: -21.702
where: short stacking energy: -21.702
Base-Backbone interact. energy: -0.287
local terms energy: -59.314161
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -3.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -225.884520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.884520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.884520 (E_RNA)
where:
Base-Base interactions energy: -148.188
where: short stacking energy: -78.036
Base-Backbone interact. energy: -0.094
local terms energy: -77.602783
where:
bonds (distance) C4'-P energy: -17.589
bonds (distance) P-C4' energy: -11.622
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -22.839
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: 2, replica: 8
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -234.262935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.262935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.262935 (E_RNA)
where:
Base-Base interactions energy: -150.395
where: short stacking energy: -74.918
Base-Backbone interact. energy: -0.056
local terms energy: -83.811448
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -17.938
flat angles P-C4'-P energy: -13.194
tors. eta vs tors. theta energy: -17.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -217.592462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.592462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.592462 (E_RNA)
where:
Base-Base interactions energy: -144.304
where: short stacking energy: -65.513
Base-Backbone interact. energy: -0.396
local terms energy: -72.892628
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -19.263
flat angles C4'-P-C4' energy: -17.658
flat angles P-C4'-P energy: -7.779
tors. eta vs tors. theta energy: -13.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -186.925074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.925074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.925074 (E_RNA)
where:
Base-Base interactions energy: -112.897
where: short stacking energy: -61.462
Base-Backbone interact. energy: -0.015
local terms energy: -74.012856
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -19.932
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -16.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -188.346738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.346738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.346738 (E_RNA)
where:
Base-Base interactions energy: -121.844
where: short stacking energy: -50.308
Base-Backbone interact. energy: -0.252
local terms energy: -66.250868
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -11.645
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -10.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -165.670996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.670996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.670996 (E_RNA)
where:
Base-Base interactions energy: -101.297
where: short stacking energy: -51.199
Base-Backbone interact. energy: -0.113
local terms energy: -64.260804
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: -8.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -140.728675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.728675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.728675 (E_RNA)
where:
Base-Base interactions energy: -87.130
where: short stacking energy: -34.632
Base-Backbone interact. energy: -0.692
local terms energy: -52.905973
where:
bonds (distance) C4'-P energy: -12.775
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: -3.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -159.175937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.175937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.175937 (E_RNA)
where:
Base-Base interactions energy: -100.076
where: short stacking energy: -48.869
Base-Backbone interact. energy: -0.023
local terms energy: -59.076987
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -9.324
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -12.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -89.912831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.912831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.912831 (E_RNA)
where:
Base-Base interactions energy: -28.546
where: short stacking energy: -28.019
Base-Backbone interact. energy: -0.389
local terms energy: -60.977902
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -11.612
flat angles P-C4'-P energy: -14.914
tors. eta vs tors. theta energy: -0.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -108.391955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.391955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.391955 (E_RNA)
where:
Base-Base interactions energy: -43.878
where: short stacking energy: -34.142
Base-Backbone interact. energy: 0.080
local terms energy: -64.594153
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -18.329
flat angles C4'-P-C4' energy: -11.920
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -10.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -229.370578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.370578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.370578 (E_RNA)
where:
Base-Base interactions energy: -154.488
where: short stacking energy: -73.261
Base-Backbone interact. energy: 0.554
local terms energy: -75.436350
where:
bonds (distance) C4'-P energy: -17.564
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -16.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -229.236272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.236272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.236272 (E_RNA)
where:
Base-Base interactions energy: -153.848
where: short stacking energy: -78.358
Base-Backbone interact. energy: -0.211
local terms energy: -75.177371
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -18.094
flat angles P-C4'-P energy: -5.675
tors. eta vs tors. theta energy: -18.892
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: 2
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -227.367014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.367014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.367014 (E_RNA)
where:
Base-Base interactions energy: -150.273
where: short stacking energy: -69.184
Base-Backbone interact. energy: -0.359
local terms energy: -76.734159
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -21.060
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -15.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -212.433783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.433783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.433783 (E_RNA)
where:
Base-Base interactions energy: -140.284
where: short stacking energy: -70.318
Base-Backbone interact. energy: -0.002
local terms energy: -72.147669
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -18.373
flat angles C4'-P-C4' energy: -11.891
flat angles P-C4'-P energy: -7.833
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: 5, replica: 4
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -190.779631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.779631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.779631 (E_RNA)
where:
Base-Base interactions energy: -114.703
where: short stacking energy: -53.124
Base-Backbone interact. energy: -0.197
local terms energy: -75.880377
where:
bonds (distance) C4'-P energy: -17.564
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -12.931
tors. eta vs tors. theta energy: -13.860
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: 6, replica: 6
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -179.999204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.999204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.999204 (E_RNA)
where:
Base-Base interactions energy: -110.656
where: short stacking energy: -51.932
Base-Backbone interact. energy: -0.660
local terms energy: -68.682512
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -12.560
flat angles C4'-P-C4' energy: -17.082
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -11.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -151.960261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.960261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.960261 (E_RNA)
where:
Base-Base interactions energy: -94.204
where: short stacking energy: -41.439
Base-Backbone interact. energy: -0.223
local terms energy: -57.532732
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -16.708
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -6.391
tors. eta vs tors. theta energy: -6.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -109.486240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.486240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.486240 (E_RNA)
where:
Base-Base interactions energy: -59.716
where: short stacking energy: -36.967
Base-Backbone interact. energy: -0.664
local terms energy: -49.106637
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -10.523
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -2.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -159.424041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.424041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.424041 (E_RNA)
where:
Base-Base interactions energy: -96.591
where: short stacking energy: -52.688
Base-Backbone interact. energy: -0.238
local terms energy: -62.595363
where:
bonds (distance) C4'-P energy: -7.711
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -18.050
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -9.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -84.970016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.970016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.970016 (E_RNA)
where:
Base-Base interactions energy: -34.335
where: short stacking energy: -20.258
Base-Backbone interact. energy: -0.386
local terms energy: -50.249063
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -13.192
flat angles P-C4'-P energy: -5.164
tors. eta vs tors. theta energy: -0.875
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: 8
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -240.631585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.631585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.631585 (E_RNA)
where:
Base-Base interactions energy: -155.465
where: short stacking energy: -77.174
Base-Backbone interact. energy: -0.086
local terms energy: -85.081060
where:
bonds (distance) C4'-P energy: -17.905
bonds (distance) P-C4' energy: -19.558
flat angles C4'-P-C4' energy: -19.053
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -18.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -212.879990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.879990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.879990 (E_RNA)
where:
Base-Base interactions energy: -140.255
where: short stacking energy: -65.640
Base-Backbone interact. energy: -0.122
local terms energy: -72.502957
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -17.295
flat angles P-C4'-P energy: -8.337
tors. eta vs tors. theta energy: -15.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -194.600367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.600367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.600367 (E_RNA)
where:
Base-Base interactions energy: -116.186
where: short stacking energy: -59.048
Base-Backbone interact. energy: -0.120
local terms energy: -78.294734
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -18.090
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -12.701
tors. eta vs tors. theta energy: -20.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -210.419218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.419218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.419218 (E_RNA)
where:
Base-Base interactions energy: -139.511
where: short stacking energy: -60.696
Base-Backbone interact. energy: 0.965
local terms energy: -71.873559
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -16.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -189.634060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.634060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.634060 (E_RNA)
where:
Base-Base interactions energy: -114.659
where: short stacking energy: -61.164
Base-Backbone interact. energy: -0.005
local terms energy: -74.969992
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -11.355
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: 4
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -168.870709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.870709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.870709 (E_RNA)
where:
Base-Base interactions energy: -104.289
where: short stacking energy: -44.683
Base-Backbone interact. energy: -0.174
local terms energy: -64.407683
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -18.650
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -6.108
tors. eta vs tors. theta energy: -8.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -144.384927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.384927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.384927 (E_RNA)
where:
Base-Base interactions energy: -80.926
where: short stacking energy: -48.101
Base-Backbone interact. energy: -0.196
local terms energy: -63.263369
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -14.111
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -11.552
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: 5
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -104.985911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.985911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.985911 (E_RNA)
where:
Base-Base interactions energy: -35.836
where: short stacking energy: -35.163
Base-Backbone interact. energy: -0.239
local terms energy: -68.910461
where:
bonds (distance) C4'-P energy: -17.985
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -9.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -155.936566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.936566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.936566 (E_RNA)
where:
Base-Base interactions energy: -82.103
where: short stacking energy: -37.496
Base-Backbone interact. energy: -0.141
local terms energy: -73.692736
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -20.426
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -12.724
tors. eta vs tors. theta energy: -14.498
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: 10
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -86.936436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.936436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.936436 (E_RNA)
where:
Base-Base interactions energy: -25.929
where: short stacking energy: -25.929
Base-Backbone interact. energy: -0.281
local terms energy: -60.727074
where:
bonds (distance) C4'-P energy: -16.894
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -13.035
tors. eta vs tors. theta energy: -0.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -243.345116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.345116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.345116 (E_RNA)
where:
Base-Base interactions energy: -155.226
where: short stacking energy: -80.869
Base-Backbone interact. energy: -0.105
local terms energy: -88.014229
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -18.223
flat angles C4'-P-C4' energy: -18.301
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -23.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -218.599396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.599396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.599396 (E_RNA)
where:
Base-Base interactions energy: -136.098
where: short stacking energy: -82.200
Base-Backbone interact. energy: -0.077
local terms energy: -82.424295
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -24.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -215.412671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.412671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.412671 (E_RNA)
where:
Base-Base interactions energy: -139.612
where: short stacking energy: -60.333
Base-Backbone interact. energy: -1.061
local terms energy: -74.739967
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -18.105
flat angles C4'-P-C4' energy: -14.572
flat angles P-C4'-P energy: -13.846
tors. eta vs tors. theta energy: -14.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -213.624923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.624923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.624923 (E_RNA)
where:
Base-Base interactions energy: -138.979
where: short stacking energy: -65.286
Base-Backbone interact. energy: -0.131
local terms energy: -74.514390
where:
bonds (distance) C4'-P energy: -17.887
bonds (distance) P-C4' energy: -17.801
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -7.986
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: 5, replica: 6
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -203.266042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.266042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.266042 (E_RNA)
where:
Base-Base interactions energy: -130.593
where: short stacking energy: -61.175
Base-Backbone interact. energy: -0.279
local terms energy: -72.394023
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -12.689
flat angles C4'-P-C4' energy: -16.388
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -17.690
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: 4
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -194.858178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.858178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.858178 (E_RNA)
where:
Base-Base interactions energy: -126.042
where: short stacking energy: -56.957
Base-Backbone interact. energy: 0.225
local terms energy: -69.041340
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -16.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -146.834128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.834128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.834128 (E_RNA)
where:
Base-Base interactions energy: -87.472
where: short stacking energy: -40.654
Base-Backbone interact. energy: 0.413
local terms energy: -59.775369
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -18.319
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -5.795
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: 119
Temperature: 1.250000
Total energy: -162.559578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.559578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.559578 (E_RNA)
where:
Base-Base interactions energy: -94.694
where: short stacking energy: -45.787
Base-Backbone interact. energy: 0.013
local terms energy: -67.878967
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -16.877
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -8.831
tors. eta vs tors. theta energy: -9.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -122.732435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.732435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.732435 (E_RNA)
where:
Base-Base interactions energy: -67.442
where: short stacking energy: -41.100
Base-Backbone interact. energy: -0.058
local terms energy: -55.232812
where:
bonds (distance) C4'-P energy: -11.550
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -13.310
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -5.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -88.197157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.197157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.197157 (E_RNA)
where:
Base-Base interactions energy: -39.840
where: short stacking energy: -25.973
Base-Backbone interact. energy: -0.568
local terms energy: -47.788911
where:
bonds (distance) C4'-P energy: -9.267
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -6.318
tors. eta vs tors. theta energy: -3.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -229.259014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.259014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.259014 (E_RNA)
where:
Base-Base interactions energy: -146.880
where: short stacking energy: -77.365
Base-Backbone interact. energy: 0.230
local terms energy: -82.608492
where:
bonds (distance) C4'-P energy: -17.270
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -17.786
flat angles P-C4'-P energy: -6.801
tors. eta vs tors. theta energy: -23.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -234.680512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.680512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.680512 (E_RNA)
where:
Base-Base interactions energy: -151.356
where: short stacking energy: -77.530
Base-Backbone interact. energy: -0.058
local terms energy: -83.267173
where:
bonds (distance) C4'-P energy: -17.929
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -16.986
flat angles P-C4'-P energy: -8.942
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: 2
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -209.742844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.742844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.742844 (E_RNA)
where:
Base-Base interactions energy: -137.836
where: short stacking energy: -78.168
Base-Backbone interact. energy: -0.185
local terms energy: -71.721859
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -13.246
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -19.305
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: 4, replica: 9
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -215.620905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.620905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.620905 (E_RNA)
where:
Base-Base interactions energy: -144.742
where: short stacking energy: -66.227
Base-Backbone interact. energy: -0.890
local terms energy: -69.989351
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -17.785
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -15.390
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: 6
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -196.067874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.067874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.067874 (E_RNA)
where:
Base-Base interactions energy: -125.404
where: short stacking energy: -60.723
Base-Backbone interact. energy: -0.139
local terms energy: -70.524797
where:
bonds (distance) C4'-P energy: -19.820
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -11.641
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -16.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -174.690968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.690968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.690968 (E_RNA)
where:
Base-Base interactions energy: -100.715
where: short stacking energy: -53.256
Base-Backbone interact. energy: -0.277
local terms energy: -73.699705
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -18.759
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -11.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -159.144610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.144610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.144610 (E_RNA)
where:
Base-Base interactions energy: -93.627
where: short stacking energy: -37.911
Base-Backbone interact. energy: -0.011
local terms energy: -65.506176
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -7.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -135.684937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.684937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.684937 (E_RNA)
where:
Base-Base interactions energy: -76.499
where: short stacking energy: -44.780
Base-Backbone interact. energy: -0.046
local terms energy: -59.140280
where:
bonds (distance) C4'-P energy: -11.748
bonds (distance) P-C4' energy: -19.289
flat angles C4'-P-C4' energy: -8.957
flat angles P-C4'-P energy: -12.804
tors. eta vs tors. theta energy: -6.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -135.788398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.788398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.788398 (E_RNA)
where:
Base-Base interactions energy: -80.686
where: short stacking energy: -25.670
Base-Backbone interact. energy: -0.301
local terms energy: -54.800677
where:
bonds (distance) C4'-P energy: -16.917
bonds (distance) P-C4' energy: -16.098
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: 2.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -83.826763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.826763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.826763 (E_RNA)
where:
Base-Base interactions energy: -31.248
where: short stacking energy: -31.389
Base-Backbone interact. energy: -0.250
local terms energy: -52.328115
where:
bonds (distance) C4'-P energy: -10.502
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -4.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -225.697035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.697035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.697035 (E_RNA)
where:
Base-Base interactions energy: -137.804
where: short stacking energy: -82.875
Base-Backbone interact. energy: 0.033
local terms energy: -87.925248
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -17.246
flat angles C4'-P-C4' energy: -17.994
flat angles P-C4'-P energy: -13.727
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: 2, replica: 8
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -234.047284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.047284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.047284 (E_RNA)
where:
Base-Base interactions energy: -147.212
where: short stacking energy: -69.253
Base-Backbone interact. energy: -0.132
local terms energy: -86.703788
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -16.912
flat angles C4'-P-C4' energy: -19.596
flat angles P-C4'-P energy: -13.868
tors. eta vs tors. theta energy: -21.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -215.253383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.253383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.253383 (E_RNA)
where:
Base-Base interactions energy: -133.657
where: short stacking energy: -79.176
Base-Backbone interact. energy: -0.037
local terms energy: -81.558900
where:
bonds (distance) C4'-P energy: -17.809
bonds (distance) P-C4' energy: -19.478
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -21.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -221.608598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.608598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.608598 (E_RNA)
where:
Base-Base interactions energy: -145.979
where: short stacking energy: -69.182
Base-Backbone interact. energy: -0.126
local terms energy: -75.503452
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -18.121
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -13.039
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: 5, replica: 6
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -193.652394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.652394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.652394 (E_RNA)
where:
Base-Base interactions energy: -128.618
where: short stacking energy: -44.788
Base-Backbone interact. energy: 0.263
local terms energy: -65.296981
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -18.870
flat angles P-C4'-P energy: -2.614
tors. eta vs tors. theta energy: -14.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -189.719785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.719785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.719785 (E_RNA)
where:
Base-Base interactions energy: -114.130
where: short stacking energy: -59.983
Base-Backbone interact. energy: -0.350
local terms energy: -75.239524
where:
bonds (distance) C4'-P energy: -15.691
bonds (distance) P-C4' energy: -10.478
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -15.245
tors. eta vs tors. theta energy: -15.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -159.761126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.761126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.761126 (E_RNA)
where:
Base-Base interactions energy: -92.404
where: short stacking energy: -50.197
Base-Backbone interact. energy: -0.129
local terms energy: -67.228791
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -19.675
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -11.676
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: 5
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -156.207035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.207035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.207035 (E_RNA)
where:
Base-Base interactions energy: -94.499
where: short stacking energy: -40.394
Base-Backbone interact. energy: 0.147
local terms energy: -61.855003
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -17.814
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -2.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -144.144674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.144674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.144674 (E_RNA)
where:
Base-Base interactions energy: -83.996
where: short stacking energy: -40.179
Base-Backbone interact. energy: -0.270
local terms energy: -59.879234
where:
bonds (distance) C4'-P energy: -17.138
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -4.818
tors. eta vs tors. theta energy: -7.690
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: 10, replica: 10
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -101.313140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.313140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.313140 (E_RNA)
where:
Base-Base interactions energy: -57.668
where: short stacking energy: -28.335
Base-Backbone interact. energy: -0.668
local terms energy: -42.976589
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -7.199
flat angles C4'-P-C4' energy: -9.587
flat angles P-C4'-P energy: -7.633
tors. eta vs tors. theta energy: -4.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -232.800485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.800485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.800485 (E_RNA)
where:
Base-Base interactions energy: -158.447
where: short stacking energy: -77.256
Base-Backbone interact. energy: -0.169
local terms energy: -74.184149
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -22.690
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: 2, replica: 3
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -223.217663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.217663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.217663 (E_RNA)
where:
Base-Base interactions energy: -143.123
where: short stacking energy: -72.736
Base-Backbone interact. energy: -0.106
local terms energy: -79.987969
where:
bonds (distance) C4'-P energy: -17.895
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -17.932
flat angles P-C4'-P energy: -6.739
tors. eta vs tors. theta energy: -23.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -209.734979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.734979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.734979 (E_RNA)
where:
Base-Base interactions energy: -141.157
where: short stacking energy: -61.610
Base-Backbone interact. energy: -0.281
local terms energy: -68.297178
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -17.710
flat angles P-C4'-P energy: -6.407
tors. eta vs tors. theta energy: -12.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -198.659849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.659849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.659849 (E_RNA)
where:
Base-Base interactions energy: -122.566
where: short stacking energy: -58.403
Base-Backbone interact. energy: -1.042
local terms energy: -75.051877
where:
bonds (distance) C4'-P energy: -15.996
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -17.696
flat angles P-C4'-P energy: -10.017
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: 5, replica: 6
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -203.284455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.284455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.284455 (E_RNA)
where:
Base-Base interactions energy: -129.760
where: short stacking energy: -60.024
Base-Backbone interact. energy: -0.592
local terms energy: -72.932653
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -13.527
flat angles C4'-P-C4' energy: -19.131
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -14.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -171.525347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.525347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.525347 (E_RNA)
where:
Base-Base interactions energy: -103.730
where: short stacking energy: -48.849
Base-Backbone interact. energy: -0.027
local terms energy: -67.767978
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: -14.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -163.716128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.716128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.716128 (E_RNA)
where:
Base-Base interactions energy: -97.475
where: short stacking energy: -49.150
Base-Backbone interact. energy: -0.106
local terms energy: -66.134292
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -18.584
flat angles C4'-P-C4' energy: -10.877
flat angles P-C4'-P energy: -12.967
tors. eta vs tors. theta energy: -11.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -141.519039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.519039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.519039 (E_RNA)
where:
Base-Base interactions energy: -77.771
where: short stacking energy: -44.819
Base-Backbone interact. energy: -0.064
local terms energy: -63.683757
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -7.350
tors. eta vs tors. theta energy: -7.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -121.835800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.835800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.835800 (E_RNA)
where:
Base-Base interactions energy: -69.695
where: short stacking energy: -27.530
Base-Backbone interact. energy: -0.333
local terms energy: -51.807935
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -9.781
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -3.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -85.481286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.481286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.481286 (E_RNA)
where:
Base-Base interactions energy: -34.593
where: short stacking energy: -32.740
Base-Backbone interact. energy: -1.161
local terms energy: -49.727410
where:
bonds (distance) C4'-P energy: -5.613
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -10.633
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -3.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -237.592208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.592208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.592208 (E_RNA)
where:
Base-Base interactions energy: -152.435
where: short stacking energy: -70.453
Base-Backbone interact. energy: -0.119
local terms energy: -85.038066
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -17.934
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -12.499
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: 2, replica: 9
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -210.531442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.531442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.531442 (E_RNA)
where:
Base-Base interactions energy: -138.768
where: short stacking energy: -62.381
Base-Backbone interact. energy: -0.107
local terms energy: -71.656853
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -13.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -217.268654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.268654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.268654 (E_RNA)
where:
Base-Base interactions energy: -132.986
where: short stacking energy: -63.090
Base-Backbone interact. energy: 0.479
local terms energy: -84.761358
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -17.800
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -12.155
tors. eta vs tors. theta energy: -24.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -201.410669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.410669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.410669 (E_RNA)
where:
Base-Base interactions energy: -129.302
where: short stacking energy: -62.884
Base-Backbone interact. energy: -0.216
local terms energy: -71.892753
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -17.846
flat angles C4'-P-C4' energy: -11.877
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -15.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -197.052695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.052695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.052695 (E_RNA)
where:
Base-Base interactions energy: -125.637
where: short stacking energy: -56.987
Base-Backbone interact. energy: -0.172
local terms energy: -71.243869
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -16.648
flat angles C4'-P-C4' energy: -16.982
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: -13.537
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: 123
Temperature: 1.150000
Total energy: -178.713334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.713334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.713334 (E_RNA)
where:
Base-Base interactions energy: -116.186
where: short stacking energy: -61.381
Base-Backbone interact. energy: -0.092
local terms energy: -62.435451
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -8.885
tors. eta vs tors. theta energy: -14.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -180.139929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.139929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.139929 (E_RNA)
where:
Base-Base interactions energy: -119.145
where: short stacking energy: -46.382
Base-Backbone interact. energy: -0.458
local terms energy: -60.536808
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -9.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -129.957789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.957789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.957789 (E_RNA)
where:
Base-Base interactions energy: -76.018
where: short stacking energy: -44.217
Base-Backbone interact. energy: -0.146
local terms energy: -53.793948
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -8.527
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: -5.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -105.739826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.739826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.739826 (E_RNA)
where:
Base-Base interactions energy: -50.668
where: short stacking energy: -45.985
Base-Backbone interact. energy: 0.038
local terms energy: -55.109527
where:
bonds (distance) C4'-P energy: -13.591
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -10.937
flat angles P-C4'-P energy: -5.040
tors. eta vs tors. theta energy: -10.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -85.966426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.966426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.966426 (E_RNA)
where:
Base-Base interactions energy: -32.473
where: short stacking energy: -32.473
Base-Backbone interact. energy: -0.023
local terms energy: -53.470764
where:
bonds (distance) C4'-P energy: -17.704
bonds (distance) P-C4' energy: -9.865
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -5.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -240.242846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.242846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.242846 (E_RNA)
where:
Base-Base interactions energy: -153.250
where: short stacking energy: -76.106
Base-Backbone interact. energy: -0.065
local terms energy: -86.927929
where:
bonds (distance) C4'-P energy: -16.290
bonds (distance) P-C4' energy: -18.778
flat angles C4'-P-C4' energy: -17.499
flat angles P-C4'-P energy: -13.258
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: 2, replica: 9
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -222.063210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.063210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.063210 (E_RNA)
where:
Base-Base interactions energy: -143.390
where: short stacking energy: -65.816
Base-Backbone interact. energy: -0.390
local terms energy: -78.283293
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -13.586
flat angles C4'-P-C4' energy: -18.181
flat angles P-C4'-P energy: -12.333
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: 3, replica: 2
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -208.523999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.523999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.523999 (E_RNA)
where:
Base-Base interactions energy: -127.436
where: short stacking energy: -76.400
Base-Backbone interact. energy: -0.045
local terms energy: -81.042323
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -13.962
flat angles C4'-P-C4' energy: -17.697
flat angles P-C4'-P energy: -12.700
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: 4, replica: 3
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -199.502318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.502318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.502318 (E_RNA)
where:
Base-Base interactions energy: -129.085
where: short stacking energy: -64.662
Base-Backbone interact. energy: -0.351
local terms energy: -70.066694
where:
bonds (distance) C4'-P energy: -10.920
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -16.982
flat angles P-C4'-P energy: -6.868
tors. eta vs tors. theta energy: -21.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -198.509176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.509176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.509176 (E_RNA)
where:
Base-Base interactions energy: -126.319
where: short stacking energy: -69.424
Base-Backbone interact. energy: -0.007
local terms energy: -72.183715
where:
bonds (distance) C4'-P energy: -14.017
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: -16.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -177.718575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.718575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.718575 (E_RNA)
where:
Base-Base interactions energy: -114.160
where: short stacking energy: -71.588
Base-Backbone interact. energy: -0.287
local terms energy: -63.271001
where:
bonds (distance) C4'-P energy: -12.035
bonds (distance) P-C4' energy: -13.104
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -3.136
tors. eta vs tors. theta energy: -18.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -181.115042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.115042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.115042 (E_RNA)
where:
Base-Base interactions energy: -105.350
where: short stacking energy: -57.463
Base-Backbone interact. energy: -0.110
local terms energy: -75.654730
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -19.303
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -14.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -142.112435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.112435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.112435 (E_RNA)
where:
Base-Base interactions energy: -67.722
where: short stacking energy: -37.613
Base-Backbone interact. energy: -1.094
local terms energy: -73.296418
where:
bonds (distance) C4'-P energy: -17.320
bonds (distance) P-C4' energy: -14.469
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -13.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -88.760883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.760883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.760883 (E_RNA)
where:
Base-Base interactions energy: -34.992
where: short stacking energy: -35.592
Base-Backbone interact. energy: -0.188
local terms energy: -53.581506
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -20.055
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -4.456
tors. eta vs tors. theta energy: -4.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -97.506820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.506820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.506820 (E_RNA)
where:
Base-Base interactions energy: -32.286
where: short stacking energy: -32.286
Base-Backbone interact. energy: -0.115
local terms energy: -65.106081
where:
bonds (distance) C4'-P energy: -17.952
bonds (distance) P-C4' energy: -10.388
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -11.846
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: 8
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -238.093313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.093313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.093313 (E_RNA)
where:
Base-Base interactions energy: -150.023
where: short stacking energy: -77.878
Base-Backbone interact. energy: -0.130
local terms energy: -87.940161
where:
bonds (distance) C4'-P energy: -17.708
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -18.980
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -20.780
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: 2
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -225.704276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.704276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.704276 (E_RNA)
where:
Base-Base interactions energy: -142.602
where: short stacking energy: -77.254
Base-Backbone interact. energy: -0.052
local terms energy: -83.049695
where:
bonds (distance) C4'-P energy: -19.621
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -10.456
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: 9
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -225.869071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.869071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.869071 (E_RNA)
where:
Base-Base interactions energy: -148.042
where: short stacking energy: -66.124
Base-Backbone interact. energy: -0.788
local terms energy: -77.039474
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -15.992
flat angles C4'-P-C4' energy: -17.964
flat angles P-C4'-P energy: -8.946
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: 4, replica: 6
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -218.436497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.436497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.436497 (E_RNA)
where:
Base-Base interactions energy: -127.878
where: short stacking energy: -74.926
Base-Backbone interact. energy: -0.001
local terms energy: -90.558188
where:
bonds (distance) C4'-P energy: -18.483
bonds (distance) P-C4' energy: -19.570
flat angles C4'-P-C4' energy: -16.202
flat angles P-C4'-P energy: -12.823
tors. eta vs tors. theta energy: -23.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -203.173076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.173076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.173076 (E_RNA)
where:
Base-Base interactions energy: -121.902
where: short stacking energy: -65.002
Base-Backbone interact. energy: -0.470
local terms energy: -80.801706
where:
bonds (distance) C4'-P energy: -18.499
bonds (distance) P-C4' energy: -19.383
flat angles C4'-P-C4' energy: -17.890
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -15.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -155.272978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.272978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.272978 (E_RNA)
where:
Base-Base interactions energy: -85.704
where: short stacking energy: -47.826
Base-Backbone interact. energy: -0.158
local terms energy: -69.411846
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -18.820
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -13.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -167.460235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.460235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.460235 (E_RNA)
where:
Base-Base interactions energy: -96.879
where: short stacking energy: -53.749
Base-Backbone interact. energy: -0.739
local terms energy: -69.841678
where:
bonds (distance) C4'-P energy: -16.951
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -15.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -164.770757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.770757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.770757 (E_RNA)
where:
Base-Base interactions energy: -99.145
where: short stacking energy: -40.597
Base-Backbone interact. energy: -0.827
local terms energy: -64.798847
where:
bonds (distance) C4'-P energy: -16.860
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -12.084
flat angles P-C4'-P energy: -12.416
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: 9, replica: 10
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -92.547264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.547264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.547264 (E_RNA)
where:
Base-Base interactions energy: -39.827
where: short stacking energy: -31.689
Base-Backbone interact. energy: 0.271
local terms energy: -52.991312
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -11.710
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -5.839
tors. eta vs tors. theta energy: -7.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -88.168769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.168769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.168769 (E_RNA)
where:
Base-Base interactions energy: -30.576
where: short stacking energy: -27.918
Base-Backbone interact. energy: -0.112
local terms energy: -57.480297
where:
bonds (distance) C4'-P energy: -17.493
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -11.209
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -1.304
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: 1, replica: 2
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -226.135628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.135628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.135628 (E_RNA)
where:
Base-Base interactions energy: -142.746
where: short stacking energy: -72.396
Base-Backbone interact. energy: -0.072
local terms energy: -83.317161
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -23.370
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: 8
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -234.059750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.059750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.059750 (E_RNA)
where:
Base-Base interactions energy: -153.738
where: short stacking energy: -79.192
Base-Backbone interact. energy: -0.076
local terms energy: -80.245844
where:
bonds (distance) C4'-P energy: -15.536
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -21.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -217.410519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.410519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.410519 (E_RNA)
where:
Base-Base interactions energy: -142.672
where: short stacking energy: -71.202
Base-Backbone interact. energy: -0.074
local terms energy: -74.664476
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -13.508
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -20.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -203.206752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.206752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.206752 (E_RNA)
where:
Base-Base interactions energy: -123.328
where: short stacking energy: -64.714
Base-Backbone interact. energy: -0.389
local terms energy: -79.489417
where:
bonds (distance) C4'-P energy: -19.013
bonds (distance) P-C4' energy: -18.544
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -14.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -165.550703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.550703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.550703 (E_RNA)
where:
Base-Base interactions energy: -96.614
where: short stacking energy: -61.344
Base-Backbone interact. energy: -0.077
local terms energy: -68.860036
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -12.525
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -17.282
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: 126
Temperature: 1.150000
Total energy: -167.996582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.996582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.996582 (E_RNA)
where:
Base-Base interactions energy: -99.505
where: short stacking energy: -45.901
Base-Backbone interact. energy: -0.189
local terms energy: -68.302413
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -13.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -166.553133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.553133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.553133 (E_RNA)
where:
Base-Base interactions energy: -85.336
where: short stacking energy: -42.793
Base-Backbone interact. energy: -0.099
local terms energy: -81.118016
where:
bonds (distance) C4'-P energy: -18.917
bonds (distance) P-C4' energy: -17.903
flat angles C4'-P-C4' energy: -19.600
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -12.916
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: 4
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -155.301134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.301134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.301134 (E_RNA)
where:
Base-Base interactions energy: -92.410
where: short stacking energy: -44.846
Base-Backbone interact. energy: -0.210
local terms energy: -62.680406
where:
bonds (distance) C4'-P energy: -13.849
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -6.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -96.611155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.611155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.611155 (E_RNA)
where:
Base-Base interactions energy: -38.614
where: short stacking energy: -29.255
Base-Backbone interact. energy: 0.579
local terms energy: -58.576148
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -8.376
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -11.875
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: 10, replica: 10
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -101.593205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.593205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.593205 (E_RNA)
where:
Base-Base interactions energy: -32.049
where: short stacking energy: -31.866
Base-Backbone interact. energy: -1.324
local terms energy: -68.219868
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -19.957
flat angles C4'-P-C4' energy: -18.927
flat angles P-C4'-P energy: -5.800
tors. eta vs tors. theta energy: -6.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -215.942881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.942881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.942881 (E_RNA)
where:
Base-Base interactions energy: -127.819
where: short stacking energy: -68.257
Base-Backbone interact. energy: -0.074
local terms energy: -88.049904
where:
bonds (distance) C4'-P energy: -18.119
bonds (distance) P-C4' energy: -17.024
flat angles C4'-P-C4' energy: -18.141
flat angles P-C4'-P energy: -12.676
tors. eta vs tors. theta energy: -22.089
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: 2, replica: 8
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -229.184960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.184960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.184960 (E_RNA)
where:
Base-Base interactions energy: -151.680
where: short stacking energy: -76.775
Base-Backbone interact. energy: -0.019
local terms energy: -77.485719
where:
bonds (distance) C4'-P energy: -15.938
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -18.240
flat angles P-C4'-P energy: -4.248
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: 3, replica: 6
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -230.994713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.994713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.994713 (E_RNA)
where:
Base-Base interactions energy: -150.415
where: short stacking energy: -77.137
Base-Backbone interact. energy: -0.291
local terms energy: -80.288750
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -21.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -202.199989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.199989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.199989 (E_RNA)
where:
Base-Base interactions energy: -123.077
where: short stacking energy: -68.647
Base-Backbone interact. energy: -0.627
local terms energy: -78.496203
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -14.710
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -20.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -154.658581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.658581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.658581 (E_RNA)
where:
Base-Base interactions energy: -94.937
where: short stacking energy: -51.735
Base-Backbone interact. energy: 0.320
local terms energy: -60.042000
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -10.894
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -8.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -170.803214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.803214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.803214 (E_RNA)
where:
Base-Base interactions energy: -98.604
where: short stacking energy: -49.326
Base-Backbone interact. energy: 0.358
local terms energy: -72.557282
where:
bonds (distance) C4'-P energy: -18.028
bonds (distance) P-C4' energy: -13.049
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -15.019
tors. eta vs tors. theta energy: -9.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -165.930471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.930471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.930471 (E_RNA)
where:
Base-Base interactions energy: -102.779
where: short stacking energy: -48.636
Base-Backbone interact. energy: -0.003
local terms energy: -63.148749
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -9.626
flat angles P-C4'-P energy: -15.064
tors. eta vs tors. theta energy: -8.321
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: 8, replica: 4
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -145.348064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.348064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.348064 (E_RNA)
where:
Base-Base interactions energy: -76.027
where: short stacking energy: -42.301
Base-Backbone interact. energy: 0.140
local terms energy: -69.461422
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: -9.377
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: 1
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -102.352644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.352644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.352644 (E_RNA)
where:
Base-Base interactions energy: -44.835
where: short stacking energy: -30.338
Base-Backbone interact. energy: -0.298
local terms energy: -57.220146
where:
bonds (distance) C4'-P energy: -10.004
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -12.648
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -5.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -93.032226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.032226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.032226 (E_RNA)
where:
Base-Base interactions energy: -30.511
where: short stacking energy: -26.246
Base-Backbone interact. energy: -0.109
local terms energy: -62.412184
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -18.286
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -3.600
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: 8
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -237.508375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.508375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.508375 (E_RNA)
where:
Base-Base interactions energy: -145.311
where: short stacking energy: -81.836
Base-Backbone interact. energy: 0.055
local terms energy: -92.252279
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -20.156
flat angles C4'-P-C4' energy: -19.430
flat angles P-C4'-P energy: -13.597
tors. eta vs tors. theta energy: -22.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -224.325585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.325585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.325585 (E_RNA)
where:
Base-Base interactions energy: -140.214
where: short stacking energy: -60.739
Base-Backbone interact. energy: -0.133
local terms energy: -83.978284
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -19.216
flat angles P-C4'-P energy: -12.724
tors. eta vs tors. theta energy: -19.131
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: 3, replica: 9
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -210.635618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.635618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.635618 (E_RNA)
where:
Base-Base interactions energy: -132.386
where: short stacking energy: -62.434
Base-Backbone interact. energy: -0.104
local terms energy: -78.145789
where:
bonds (distance) C4'-P energy: -19.075
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -19.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -220.355073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.355073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.355073 (E_RNA)
where:
Base-Base interactions energy: -139.821
where: short stacking energy: -63.064
Base-Backbone interact. energy: -0.099
local terms energy: -80.435394
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -15.630
flat angles C4'-P-C4' energy: -18.806
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -22.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -200.438241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.438241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.438241 (E_RNA)
where:
Base-Base interactions energy: -130.604
where: short stacking energy: -66.306
Base-Backbone interact. energy: -0.238
local terms energy: -69.596900
where:
bonds (distance) C4'-P energy: -10.633
bonds (distance) P-C4' energy: -12.083
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -11.300
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: 6, replica: 7
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -166.129606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.129606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.129606 (E_RNA)
where:
Base-Base interactions energy: -98.466
where: short stacking energy: -54.106
Base-Backbone interact. energy: -0.246
local terms energy: -67.418419
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -16.979
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -13.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -161.781294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.781294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.781294 (E_RNA)
where:
Base-Base interactions energy: -98.933
where: short stacking energy: -52.543
Base-Backbone interact. energy: -0.623
local terms energy: -62.225407
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -9.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -140.998835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.998835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.998835 (E_RNA)
where:
Base-Base interactions energy: -76.372
where: short stacking energy: -41.849
Base-Backbone interact. energy: -0.148
local terms energy: -64.478558
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -18.841
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -10.820
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: 10
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -92.306915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.306915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.306915 (E_RNA)
where:
Base-Base interactions energy: -38.781
where: short stacking energy: -38.781
Base-Backbone interact. energy: -0.336
local terms energy: -53.190189
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -11.549
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -5.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -96.456037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.456037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.456037 (E_RNA)
where:
Base-Base interactions energy: -32.953
where: short stacking energy: -32.953
Base-Backbone interact. energy: -0.010
local terms energy: -63.492646
where:
bonds (distance) C4'-P energy: -9.665
bonds (distance) P-C4' energy: -16.087
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -14.293
tors. eta vs tors. theta energy: -6.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -247.306542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.306542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.306542 (E_RNA)
where:
Base-Base interactions energy: -152.309
where: short stacking energy: -80.204
Base-Backbone interact. energy: -0.791
local terms energy: -94.206114
where:
bonds (distance) C4'-P energy: -18.236
bonds (distance) P-C4' energy: -19.996
flat angles C4'-P-C4' energy: -21.247
flat angles P-C4'-P energy: -14.907
tors. eta vs tors. theta energy: -19.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -227.141087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.141087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.141087 (E_RNA)
where:
Base-Base interactions energy: -144.625
where: short stacking energy: -75.758
Base-Backbone interact. energy: -0.022
local terms energy: -82.494410
where:
bonds (distance) C4'-P energy: -16.158
bonds (distance) P-C4' energy: -13.087
flat angles C4'-P-C4' energy: -18.865
flat angles P-C4'-P energy: -14.644
tors. eta vs tors. theta energy: -19.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -211.967966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.967966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.967966 (E_RNA)
where:
Base-Base interactions energy: -131.268
where: short stacking energy: -59.741
Base-Backbone interact. energy: -0.123
local terms energy: -80.576403
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -14.135
tors. eta vs tors. theta energy: -19.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -210.989545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.989545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.989545 (E_RNA)
where:
Base-Base interactions energy: -132.137
where: short stacking energy: -58.604
Base-Backbone interact. energy: -0.222
local terms energy: -78.630367
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -13.693
tors. eta vs tors. theta energy: -15.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -217.889006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.889006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.889006 (E_RNA)
where:
Base-Base interactions energy: -139.982
where: short stacking energy: -63.087
Base-Backbone interact. energy: -0.085
local terms energy: -77.822136
where:
bonds (distance) C4'-P energy: -17.502
bonds (distance) P-C4' energy: -17.571
flat angles C4'-P-C4' energy: -18.582
flat angles P-C4'-P energy: -5.872
tors. eta vs tors. theta energy: -18.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -167.940522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.940522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.940522 (E_RNA)
where:
Base-Base interactions energy: -105.736
where: short stacking energy: -55.630
Base-Backbone interact. energy: -0.288
local terms energy: -61.916808
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -11.567
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: 7
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -165.353758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.353758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.353758 (E_RNA)
where:
Base-Base interactions energy: -102.163
where: short stacking energy: -52.573
Base-Backbone interact. energy: -0.186
local terms energy: -63.004948
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -14.801
flat angles C4'-P-C4' energy: -15.313
flat angles P-C4'-P energy: -7.008
tors. eta vs tors. theta energy: -13.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -97.878929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.878929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.878929 (E_RNA)
where:
Base-Base interactions energy: -40.536
where: short stacking energy: -26.591
Base-Backbone interact. energy: -0.112
local terms energy: -57.230281
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -10.915
flat angles P-C4'-P energy: -7.574
tors. eta vs tors. theta energy: -8.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -98.828209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.828209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.828209 (E_RNA)
where:
Base-Base interactions energy: -43.998
where: short stacking energy: -43.998
Base-Backbone interact. energy: -0.083
local terms energy: -54.746788
where:
bonds (distance) C4'-P energy: -10.569
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -7.567
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: 1
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -84.867120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.867120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.867120 (E_RNA)
where:
Base-Base interactions energy: -29.179
where: short stacking energy: -29.179
Base-Backbone interact. energy: -0.406
local terms energy: -55.282410
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -20.634
flat angles C4'-P-C4' energy: -7.241
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: -4.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -229.940493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.940493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.940493 (E_RNA)
where:
Base-Base interactions energy: -146.334
where: short stacking energy: -78.734
Base-Backbone interact. energy: -0.199
local terms energy: -83.407482
where:
bonds (distance) C4'-P energy: -17.586
bonds (distance) P-C4' energy: -13.611
flat angles C4'-P-C4' energy: -19.496
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -20.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -225.530638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.530638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.530638 (E_RNA)
where:
Base-Base interactions energy: -134.992
where: short stacking energy: -69.862
Base-Backbone interact. energy: -0.177
local terms energy: -90.362522
where:
bonds (distance) C4'-P energy: -18.545
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -17.948
flat angles P-C4'-P energy: -14.510
tors. eta vs tors. theta energy: -21.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -190.469752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.469752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.469752 (E_RNA)
where:
Base-Base interactions energy: -109.351
where: short stacking energy: -63.640
Base-Backbone interact. energy: -0.045
local terms energy: -81.073203
where:
bonds (distance) C4'-P energy: -19.129
bonds (distance) P-C4' energy: -15.741
flat angles C4'-P-C4' energy: -18.017
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -15.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -207.327946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.327946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.327946 (E_RNA)
where:
Base-Base interactions energy: -131.382
where: short stacking energy: -61.338
Base-Backbone interact. energy: -0.163
local terms energy: -75.782460
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -18.745
flat angles C4'-P-C4' energy: -19.938
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -15.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -205.949310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.949310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.949310 (E_RNA)
where:
Base-Base interactions energy: -125.766
where: short stacking energy: -76.213
Base-Backbone interact. energy: -0.001
local terms energy: -80.181813
where:
bonds (distance) C4'-P energy: -15.592
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -19.462
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -19.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -176.706440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.706440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.706440 (E_RNA)
where:
Base-Base interactions energy: -111.318
where: short stacking energy: -60.343
Base-Backbone interact. energy: -0.175
local terms energy: -65.214192
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -10.910
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -13.644
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: 7, replica: 7
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -159.699689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.699689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.699689 (E_RNA)
where:
Base-Base interactions energy: -95.250
where: short stacking energy: -52.310
Base-Backbone interact. energy: -0.130
local terms energy: -64.320105
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -21.336
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -8.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -108.799047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.799047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.799047 (E_RNA)
where:
Base-Base interactions energy: -50.271
where: short stacking energy: -41.855
Base-Backbone interact. energy: -0.070
local terms energy: -58.457847
where:
bonds (distance) C4'-P energy: -9.442
bonds (distance) P-C4' energy: -15.530
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: -7.407
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: 1
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -94.982052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.982052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.982052 (E_RNA)
where:
Base-Base interactions energy: -39.037
where: short stacking energy: -35.323
Base-Backbone interact. energy: -0.080
local terms energy: -55.865101
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -11.490
flat angles C4'-P-C4' energy: -19.576
flat angles P-C4'-P energy: -10.417
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: 10, replica: 10
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -101.012302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.012302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.012302 (E_RNA)
where:
Base-Base interactions energy: -33.887
where: short stacking energy: -33.887
Base-Backbone interact. energy: -0.184
local terms energy: -66.940615
where:
bonds (distance) C4'-P energy: -18.731
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -4.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -234.364326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.364326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.364326 (E_RNA)
where:
Base-Base interactions energy: -152.322
where: short stacking energy: -78.464
Base-Backbone interact. energy: -0.188
local terms energy: -81.855117
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -21.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -227.407059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.407059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.407059 (E_RNA)
where:
Base-Base interactions energy: -148.887
where: short stacking energy: -75.223
Base-Backbone interact. energy: -0.357
local terms energy: -78.163550
where:
bonds (distance) C4'-P energy: -17.034
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -17.080
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: -22.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -190.287506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.287506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.287506 (E_RNA)
where:
Base-Base interactions energy: -112.725
where: short stacking energy: -59.136
Base-Backbone interact. energy: -0.064
local terms energy: -77.498099
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -13.133
tors. eta vs tors. theta energy: -16.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -208.806094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.806094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.806094 (E_RNA)
where:
Base-Base interactions energy: -127.612
where: short stacking energy: -62.183
Base-Backbone interact. energy: -0.177
local terms energy: -81.017484
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -10.978
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: 5, replica: 9
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -204.462307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.462307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.462307 (E_RNA)
where:
Base-Base interactions energy: -137.158
where: short stacking energy: -57.579
Base-Backbone interact. energy: -0.305
local terms energy: -67.000218
where:
bonds (distance) C4'-P energy: -15.714
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -6.120
tors. eta vs tors. theta energy: -9.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -176.370193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.370193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.370193 (E_RNA)
where:
Base-Base interactions energy: -112.837
where: short stacking energy: -65.178
Base-Backbone interact. energy: -0.484
local terms energy: -63.049179
where:
bonds (distance) C4'-P energy: -10.467
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -5.702
tors. eta vs tors. theta energy: -13.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -167.306603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.306603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.306603 (E_RNA)
where:
Base-Base interactions energy: -95.529
where: short stacking energy: -47.181
Base-Backbone interact. energy: 1.829
local terms energy: -73.606407
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -18.957
flat angles C4'-P-C4' energy: -17.722
flat angles P-C4'-P energy: -10.171
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: 8, replica: 1
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -96.691953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.691953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.691953 (E_RNA)
where:
Base-Base interactions energy: -40.272
where: short stacking energy: -33.745
Base-Backbone interact. energy: -0.460
local terms energy: -55.959671
where:
bonds (distance) C4'-P energy: -14.945
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -1.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -103.416212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.416212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.416212 (E_RNA)
where:
Base-Base interactions energy: -54.342
where: short stacking energy: -39.139
Base-Backbone interact. energy: -0.422
local terms energy: -48.651548
where:
bonds (distance) C4'-P energy: -10.324
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -10.251
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: -1.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -91.491368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.491368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.491368 (E_RNA)
where:
Base-Base interactions energy: -32.872
where: short stacking energy: -23.454
Base-Backbone interact. energy: -0.231
local terms energy: -58.388569
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -3.327
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: 2
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -249.302300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.302300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.302300 (E_RNA)
where:
Base-Base interactions energy: -157.842
where: short stacking energy: -82.717
Base-Backbone interact. energy: -0.649
local terms energy: -90.810876
where:
bonds (distance) C4'-P energy: -18.881
bonds (distance) P-C4' energy: -16.034
flat angles C4'-P-C4' energy: -18.504
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -26.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -234.287942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.287942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.287942 (E_RNA)
where:
Base-Base interactions energy: -153.381
where: short stacking energy: -72.246
Base-Backbone interact. energy: -0.106
local terms energy: -80.800662
where:
bonds (distance) C4'-P energy: -17.515
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -11.628
tors. eta vs tors. theta energy: -21.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -207.402655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.402655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.402655 (E_RNA)
where:
Base-Base interactions energy: -126.680
where: short stacking energy: -70.526
Base-Backbone interact. energy: -0.159
local terms energy: -80.563977
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -18.311
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -19.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -187.448675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.448675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.448675 (E_RNA)
where:
Base-Base interactions energy: -104.498
where: short stacking energy: -56.510
Base-Backbone interact. energy: -0.006
local terms energy: -82.944898
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -16.910
flat angles C4'-P-C4' energy: -18.606
flat angles P-C4'-P energy: -13.875
tors. eta vs tors. theta energy: -18.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -210.135790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.135790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.135790 (E_RNA)
where:
Base-Base interactions energy: -130.249
where: short stacking energy: -57.519
Base-Backbone interact. energy: -0.047
local terms energy: -79.839521
where:
bonds (distance) C4'-P energy: -19.440
bonds (distance) P-C4' energy: -18.824
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -13.821
tors. eta vs tors. theta energy: -11.349
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: 132
Temperature: 1.150000
Total energy: -162.377022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.377022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.377022 (E_RNA)
where:
Base-Base interactions energy: -92.226
where: short stacking energy: -46.308
Base-Backbone interact. energy: -0.278
local terms energy: -69.872831
where:
bonds (distance) C4'-P energy: -18.773
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -18.697
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -9.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -110.696786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.696786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.696786 (E_RNA)
where:
Base-Base interactions energy: -56.317
where: short stacking energy: -37.718
Base-Backbone interact. energy: 1.271
local terms energy: -55.650086
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -11.253
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -4.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -150.676447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.676447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.676447 (E_RNA)
where:
Base-Base interactions energy: -87.380
where: short stacking energy: -41.122
Base-Backbone interact. energy: -0.133
local terms energy: -63.163388
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -18.028
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -8.256
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: 10
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -86.946222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.946222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.946222 (E_RNA)
where:
Base-Base interactions energy: -35.834
where: short stacking energy: -29.688
Base-Backbone interact. energy: -0.076
local terms energy: -51.036503
where:
bonds (distance) C4'-P energy: -13.170
bonds (distance) P-C4' energy: -19.693
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -3.784
tors. eta vs tors. theta energy: -0.374
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: 4
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -89.773136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.773136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.773136 (E_RNA)
where:
Base-Base interactions energy: -35.271
where: short stacking energy: -35.271
Base-Backbone interact. energy: -0.262
local terms energy: -54.240360
where:
bonds (distance) C4'-P energy: -19.273
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -5.281
tors. eta vs tors. theta energy: -3.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -242.049272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.049272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.049272 (E_RNA)
where:
Base-Base interactions energy: -157.402
where: short stacking energy: -78.769
Base-Backbone interact. energy: -0.053
local terms energy: -84.594269
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -10.730
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: 6
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -213.325673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.325673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.325673 (E_RNA)
where:
Base-Base interactions energy: -128.256
where: short stacking energy: -57.493
Base-Backbone interact. energy: -0.084
local terms energy: -84.986082
where:
bonds (distance) C4'-P energy: -17.236
bonds (distance) P-C4' energy: -19.696
flat angles C4'-P-C4' energy: -19.574
flat angles P-C4'-P energy: -15.736
tors. eta vs tors. theta energy: -12.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -207.751662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.751662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.751662 (E_RNA)
where:
Base-Base interactions energy: -127.487
where: short stacking energy: -65.695
Base-Backbone interact. energy: -0.078
local terms energy: -80.186680
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -17.825
flat angles P-C4'-P energy: -8.740
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: 9
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -232.093950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.093950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.093950 (E_RNA)
where:
Base-Base interactions energy: -150.612
where: short stacking energy: -62.844
Base-Backbone interact. energy: -0.491
local terms energy: -80.990984
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -18.131
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -19.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -199.473977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.473977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.473977 (E_RNA)
where:
Base-Base interactions energy: -121.590
where: short stacking energy: -61.945
Base-Backbone interact. energy: -0.051
local terms energy: -77.833572
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -17.925
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -13.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -158.642704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.642704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.642704 (E_RNA)
where:
Base-Base interactions energy: -89.538
where: short stacking energy: -48.426
Base-Backbone interact. energy: -0.020
local terms energy: -69.084420
where:
bonds (distance) C4'-P energy: -13.579
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -18.160
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -11.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -109.137115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.137115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.137115 (E_RNA)
where:
Base-Base interactions energy: -42.794
where: short stacking energy: -42.794
Base-Backbone interact. energy: -0.127
local terms energy: -66.216877
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -13.834
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -10.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -98.718132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.718132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.718132 (E_RNA)
where:
Base-Base interactions energy: -34.815
where: short stacking energy: -27.153
Base-Backbone interact. energy: -0.007
local terms energy: -63.896428
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -10.201
flat angles P-C4'-P energy: -12.941
tors. eta vs tors. theta energy: -6.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -87.923059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.923059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.923059 (E_RNA)
where:
Base-Base interactions energy: -42.750
where: short stacking energy: -34.808
Base-Backbone interact. energy: -0.403
local terms energy: -44.769681
where:
bonds (distance) C4'-P energy: -4.010
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -1.918
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: 4
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -77.656422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.656422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.656422 (E_RNA)
where:
Base-Base interactions energy: -20.562
where: short stacking energy: -19.461
Base-Backbone interact. energy: -0.141
local terms energy: -56.953887
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: 4.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -245.171255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.171255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.171255 (E_RNA)
where:
Base-Base interactions energy: -157.917
where: short stacking energy: -80.010
Base-Backbone interact. energy: -0.636
local terms energy: -86.619178
where:
bonds (distance) C4'-P energy: -17.575
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -18.598
flat angles P-C4'-P energy: -13.835
tors. eta vs tors. theta energy: -23.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -224.321029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.321029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.321029 (E_RNA)
where:
Base-Base interactions energy: -142.171
where: short stacking energy: -81.421
Base-Backbone interact. energy: -0.006
local terms energy: -82.143750
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -20.304
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -21.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -217.795582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.795582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.795582 (E_RNA)
where:
Base-Base interactions energy: -135.778
where: short stacking energy: -61.380
Base-Backbone interact. energy: -0.092
local terms energy: -81.925106
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -20.430
flat angles C4'-P-C4' energy: -18.170
flat angles P-C4'-P energy: -11.972
tors. eta vs tors. theta energy: -17.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -217.617827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.617827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.617827 (E_RNA)
where:
Base-Base interactions energy: -139.708
where: short stacking energy: -69.705
Base-Backbone interact. energy: -0.287
local terms energy: -77.622931
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: -11.574
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: 5, replica: 7
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -170.774310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.774310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.774310 (E_RNA)
where:
Base-Base interactions energy: -99.419
where: short stacking energy: -49.081
Base-Backbone interact. energy: -0.251
local terms energy: -71.104135
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -19.329
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -14.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -195.082948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.082948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.082948 (E_RNA)
where:
Base-Base interactions energy: -119.000
where: short stacking energy: -55.562
Base-Backbone interact. energy: -0.011
local terms energy: -76.071916
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -20.539
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -14.381
tors. eta vs tors. theta energy: -13.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -99.236022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.236022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.236022 (E_RNA)
where:
Base-Base interactions energy: -39.886
where: short stacking energy: -33.063
Base-Backbone interact. energy: -0.090
local terms energy: -59.259988
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -1.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -99.796062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.796062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.796062 (E_RNA)
where:
Base-Base interactions energy: -41.953
where: short stacking energy: -23.687
Base-Backbone interact. energy: -0.299
local terms energy: -57.543809
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -16.571
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -1.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -93.222836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.222836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.222836 (E_RNA)
where:
Base-Base interactions energy: -29.670
where: short stacking energy: -29.670
Base-Backbone interact. energy: -0.246
local terms energy: -63.306899
where:
bonds (distance) C4'-P energy: -17.448
bonds (distance) P-C4' energy: -19.708
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -1.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -79.445689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.445689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.445689 (E_RNA)
where:
Base-Base interactions energy: -22.971
where: short stacking energy: -22.971
Base-Backbone interact. energy: -0.233
local terms energy: -56.240935
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -17.381
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: 2.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -231.654057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.654057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.654057 (E_RNA)
where:
Base-Base interactions energy: -154.518
where: short stacking energy: -67.888
Base-Backbone interact. energy: -0.288
local terms energy: -76.848515
where:
bonds (distance) C4'-P energy: -17.277
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -13.097
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: 2, replica: 9
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -237.577897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.577897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.577897 (E_RNA)
where:
Base-Base interactions energy: -158.244
where: short stacking energy: -76.250
Base-Backbone interact. energy: -0.064
local terms energy: -79.270535
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -18.595
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -7.983
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: 3, replica: 6
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -215.220062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.220062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.220062 (E_RNA)
where:
Base-Base interactions energy: -130.390
where: short stacking energy: -78.347
Base-Backbone interact. energy: -0.087
local terms energy: -84.742824
where:
bonds (distance) C4'-P energy: -17.925
bonds (distance) P-C4' energy: -14.291
flat angles C4'-P-C4' energy: -18.725
flat angles P-C4'-P energy: -12.268
tors. eta vs tors. theta energy: -21.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -210.919577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.919577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.919577 (E_RNA)
where:
Base-Base interactions energy: -130.304
where: short stacking energy: -77.143
Base-Backbone interact. energy: -0.318
local terms energy: -80.297040
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -18.746
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -25.074
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: 7
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -180.503302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.503302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.503302 (E_RNA)
where:
Base-Base interactions energy: -114.828
where: short stacking energy: -51.721
Base-Backbone interact. energy: -0.253
local terms energy: -65.422085
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -12.743
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -13.730
tors. eta vs tors. theta energy: -8.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -130.375922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.375922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.375922 (E_RNA)
where:
Base-Base interactions energy: -60.106
where: short stacking energy: -60.106
Base-Backbone interact. energy: -0.033
local terms energy: -70.236170
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -16.816
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -13.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -180.642795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.642795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.642795 (E_RNA)
where:
Base-Base interactions energy: -112.096
where: short stacking energy: -51.576
Base-Backbone interact. energy: -0.102
local terms energy: -68.444407
where:
bonds (distance) C4'-P energy: -12.383
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -13.687
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: 8, replica: 10
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -127.935016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.935016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.935016 (E_RNA)
where:
Base-Base interactions energy: -68.902
where: short stacking energy: -49.324
Base-Backbone interact. energy: -0.486
local terms energy: -58.547064
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -8.499
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: 1
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -102.546636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.546636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.546636 (E_RNA)
where:
Base-Base interactions energy: -35.623
where: short stacking energy: -21.183
Base-Backbone interact. energy: -0.141
local terms energy: -66.782365
where:
bonds (distance) C4'-P energy: -12.635
bonds (distance) P-C4' energy: -20.355
flat angles C4'-P-C4' energy: -18.838
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -3.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -94.193166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.193166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.193166 (E_RNA)
where:
Base-Base interactions energy: -39.421
where: short stacking energy: -39.202
Base-Backbone interact. energy: -0.137
local terms energy: -54.635570
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -12.770
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -6.734
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: 1, replica: 2
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -236.261136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.261136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.261136 (E_RNA)
where:
Base-Base interactions energy: -148.200
where: short stacking energy: -76.225
Base-Backbone interact. energy: -0.233
local terms energy: -87.828755
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -20.814
flat angles P-C4'-P energy: -14.846
tors. eta vs tors. theta energy: -20.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -228.112113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.112113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.112113 (E_RNA)
where:
Base-Base interactions energy: -153.694
where: short stacking energy: -77.282
Base-Backbone interact. energy: -0.125
local terms energy: -74.293050
where:
bonds (distance) C4'-P energy: -19.423
bonds (distance) P-C4' energy: -13.851
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -16.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -219.759875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.759875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.759875 (E_RNA)
where:
Base-Base interactions energy: -132.529
where: short stacking energy: -75.432
Base-Backbone interact. energy: -0.053
local terms energy: -87.177880
where:
bonds (distance) C4'-P energy: -18.226
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -24.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -208.132635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.132635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.132635 (E_RNA)
where:
Base-Base interactions energy: -126.310
where: short stacking energy: -68.463
Base-Backbone interact. energy: 0.458
local terms energy: -82.280727
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -19.303
flat angles C4'-P-C4' energy: -17.085
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -21.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -188.862606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.862606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.862606 (E_RNA)
where:
Base-Base interactions energy: -112.777
where: short stacking energy: -61.354
Base-Backbone interact. energy: -0.654
local terms energy: -75.432064
where:
bonds (distance) C4'-P energy: -18.991
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -14.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -110.789804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.789804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.789804 (E_RNA)
where:
Base-Base interactions energy: -51.161
where: short stacking energy: -45.673
Base-Backbone interact. energy: -0.135
local terms energy: -59.494246
where:
bonds (distance) C4'-P energy: -17.436
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -17.537
flat angles P-C4'-P energy: -4.753
tors. eta vs tors. theta energy: -6.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -166.151189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.151189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.151189 (E_RNA)
where:
Base-Base interactions energy: -112.798
where: short stacking energy: -54.130
Base-Backbone interact. energy: 1.443
local terms energy: -54.796813
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -14.351
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -6.915
tors. eta vs tors. theta energy: -6.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -146.211705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.211705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.211705 (E_RNA)
where:
Base-Base interactions energy: -69.562
where: short stacking energy: -49.100
Base-Backbone interact. energy: -0.346
local terms energy: -76.303102
where:
bonds (distance) C4'-P energy: -16.409
bonds (distance) P-C4' energy: -16.027
flat angles C4'-P-C4' energy: -18.649
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -13.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -90.347766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.347766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.347766 (E_RNA)
where:
Base-Base interactions energy: -35.097
where: short stacking energy: -35.097
Base-Backbone interact. energy: -0.213
local terms energy: -55.037481
where:
bonds (distance) C4'-P energy: -17.034
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -10.822
flat angles P-C4'-P energy: -6.188
tors. eta vs tors. theta energy: -5.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -96.340472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.340472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.340472 (E_RNA)
where:
Base-Base interactions energy: -33.717
where: short stacking energy: -30.735
Base-Backbone interact. energy: -0.618
local terms energy: -62.004999
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -18.154
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -5.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -231.256271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.256271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.256271 (E_RNA)
where:
Base-Base interactions energy: -146.323
where: short stacking energy: -70.653
Base-Backbone interact. energy: -0.091
local terms energy: -84.842445
where:
bonds (distance) C4'-P energy: -18.055
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -19.003
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -19.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -234.477146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.477146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.477146 (E_RNA)
where:
Base-Base interactions energy: -153.415
where: short stacking energy: -71.801
Base-Backbone interact. energy: -0.914
local terms energy: -80.147824
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -19.190
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -9.457
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: 3, replica: 8
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -212.594747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.594747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.594747 (E_RNA)
where:
Base-Base interactions energy: -125.610
where: short stacking energy: -71.155
Base-Backbone interact. energy: -0.194
local terms energy: -86.790477
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -12.162
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: 4, replica: 7
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -196.109016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.109016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.109016 (E_RNA)
where:
Base-Base interactions energy: -122.233
where: short stacking energy: -57.980
Base-Backbone interact. energy: -0.069
local terms energy: -73.807368
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -15.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -207.199960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.199960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.199960 (E_RNA)
where:
Base-Base interactions energy: -122.406
where: short stacking energy: -72.797
Base-Backbone interact. energy: -0.013
local terms energy: -84.780582
where:
bonds (distance) C4'-P energy: -17.075
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -19.973
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -17.478
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: 137
Temperature: 1.150000
Total energy: -180.470897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.470897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.470897 (E_RNA)
where:
Base-Base interactions energy: -103.067
where: short stacking energy: -51.067
Base-Backbone interact. energy: -0.077
local terms energy: -77.326878
where:
bonds (distance) C4'-P energy: -18.103
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -16.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -112.148758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.148758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.148758 (E_RNA)
where:
Base-Base interactions energy: -48.280
where: short stacking energy: -47.495
Base-Backbone interact. energy: 0.285
local terms energy: -64.153730
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -19.736
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -5.609
tors. eta vs tors. theta energy: -13.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -142.108696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.108696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.108696 (E_RNA)
where:
Base-Base interactions energy: -74.472
where: short stacking energy: -41.026
Base-Backbone interact. energy: -0.739
local terms energy: -66.897274
where:
bonds (distance) C4'-P energy: -15.358
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -7.049
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: 137
Temperature: 1.300000
Total energy: -89.551985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.551985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.551985 (E_RNA)
where:
Base-Base interactions energy: -41.882
where: short stacking energy: -31.639
Base-Backbone interact. energy: -0.023
local terms energy: -47.646513
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -17.722
flat angles C4'-P-C4' energy: -8.904
flat angles P-C4'-P energy: -4.388
tors. eta vs tors. theta energy: -3.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -78.525191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.525191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.525191 (E_RNA)
where:
Base-Base interactions energy: -31.247
where: short stacking energy: -23.037
Base-Backbone interact. energy: -0.394
local terms energy: -46.883692
where:
bonds (distance) C4'-P energy: -10.931
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: 2.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -235.325334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.325334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.325334 (E_RNA)
where:
Base-Base interactions energy: -155.734
where: short stacking energy: -74.998
Base-Backbone interact. energy: -0.078
local terms energy: -79.512831
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -17.736
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -19.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -224.087709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.087709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.087709 (E_RNA)
where:
Base-Base interactions energy: -141.890
where: short stacking energy: -66.450
Base-Backbone interact. energy: -0.033
local terms energy: -82.165049
where:
bonds (distance) C4'-P energy: -19.202
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -19.993
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -13.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -185.360490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.360490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.360490 (E_RNA)
where:
Base-Base interactions energy: -102.786
where: short stacking energy: -57.556
Base-Backbone interact. energy: -0.123
local terms energy: -82.451091
where:
bonds (distance) C4'-P energy: -18.935
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -20.323
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: -18.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -223.736671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.736671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.736671 (E_RNA)
where:
Base-Base interactions energy: -147.998
where: short stacking energy: -71.788
Base-Backbone interact. energy: -0.076
local terms energy: -75.663608
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -11.259
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: 5, replica: 5
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -212.471647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.471647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.471647 (E_RNA)
where:
Base-Base interactions energy: -131.309
where: short stacking energy: -63.065
Base-Backbone interact. energy: -0.272
local terms energy: -80.890054
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -19.792
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -19.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -191.256636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.256636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.256636 (E_RNA)
where:
Base-Base interactions energy: -112.834
where: short stacking energy: -47.804
Base-Backbone interact. energy: -0.104
local terms energy: -78.318675
where:
bonds (distance) C4'-P energy: -17.186
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -13.404
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: 10
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -152.956580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.956580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.956580 (E_RNA)
where:
Base-Base interactions energy: -87.102
where: short stacking energy: -46.022
Base-Backbone interact. energy: -0.044
local terms energy: -65.811096
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -9.167
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: 3
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -93.457553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.457553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.457553 (E_RNA)
where:
Base-Base interactions energy: -35.695
where: short stacking energy: -24.253
Base-Backbone interact. energy: -0.242
local terms energy: -57.521014
where:
bonds (distance) C4'-P energy: -18.450
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -6.360
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -7.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -103.545401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.545401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.545401 (E_RNA)
where:
Base-Base interactions energy: -42.365
where: short stacking energy: -40.335
Base-Backbone interact. energy: -0.277
local terms energy: -60.903317
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -8.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -103.465950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.465950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.465950 (E_RNA)
where:
Base-Base interactions energy: -35.823
where: short stacking energy: -35.823
Base-Backbone interact. energy: -0.640
local terms energy: -67.003498
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -17.122
flat angles P-C4'-P energy: -8.417
tors. eta vs tors. theta energy: -12.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -234.993380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.993380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.993380 (E_RNA)
where:
Base-Base interactions energy: -154.866
where: short stacking energy: -76.506
Base-Backbone interact. energy: -0.061
local terms energy: -80.066316
where:
bonds (distance) C4'-P energy: -18.445
bonds (distance) P-C4' energy: -13.150
flat angles C4'-P-C4' energy: -18.449
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -19.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -223.990120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.990120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.990120 (E_RNA)
where:
Base-Base interactions energy: -142.807
where: short stacking energy: -74.192
Base-Backbone interact. energy: -0.095
local terms energy: -81.087526
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -17.980
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -18.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -200.255783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.255783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.255783 (E_RNA)
where:
Base-Base interactions energy: -130.944
where: short stacking energy: -65.269
Base-Backbone interact. energy: -0.469
local terms energy: -68.843347
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -15.733
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: 8
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -215.224351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.224351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.224351 (E_RNA)
where:
Base-Base interactions energy: -136.027
where: short stacking energy: -64.756
Base-Backbone interact. energy: -0.102
local terms energy: -79.095456
where:
bonds (distance) C4'-P energy: -18.711
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -17.665
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: 5
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -194.013534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.013534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.013534 (E_RNA)
where:
Base-Base interactions energy: -120.364
where: short stacking energy: -61.749
Base-Backbone interact. energy: -0.087
local terms energy: -73.562733
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -16.017
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: 6, replica: 6
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -204.557705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.557705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.557705 (E_RNA)
where:
Base-Base interactions energy: -135.709
where: short stacking energy: -63.048
Base-Backbone interact. energy: -0.257
local terms energy: -68.592090
where:
bonds (distance) C4'-P energy: -11.007
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -13.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -142.614216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.614216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.614216 (E_RNA)
where:
Base-Base interactions energy: -81.525
where: short stacking energy: -34.149
Base-Backbone interact. energy: 0.734
local terms energy: -61.823794
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -9.927
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: 8, replica: 3
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -96.545264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.545264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.545264 (E_RNA)
where:
Base-Base interactions energy: -33.925
where: short stacking energy: -23.696
Base-Backbone interact. energy: -0.079
local terms energy: -62.541367
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -19.268
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -3.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -90.545540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.545540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.545540 (E_RNA)
where:
Base-Base interactions energy: -25.355
where: short stacking energy: -25.355
Base-Backbone interact. energy: -0.749
local terms energy: -64.441632
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -6.096
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: 4
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -95.465704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.465704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.465704 (E_RNA)
where:
Base-Base interactions energy: -27.960
where: short stacking energy: -30.449
Base-Backbone interact. energy: -0.069
local terms energy: -67.436805
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: -11.389
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: 1, replica: 9
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -231.718366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.718366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.718366 (E_RNA)
where:
Base-Base interactions energy: -150.403
where: short stacking energy: -75.191
Base-Backbone interact. energy: -0.102
local terms energy: -81.214265
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -20.176
flat angles C4'-P-C4' energy: -17.884
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -19.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -221.336828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.336828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.336828 (E_RNA)
where:
Base-Base interactions energy: -139.007
where: short stacking energy: -76.624
Base-Backbone interact. energy: -0.101
local terms energy: -82.228741
where:
bonds (distance) C4'-P energy: -17.917
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -12.472
tors. eta vs tors. theta energy: -19.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -222.504356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.504356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.504356 (E_RNA)
where:
Base-Base interactions energy: -145.526
where: short stacking energy: -72.095
Base-Backbone interact. energy: -0.161
local terms energy: -76.817974
where:
bonds (distance) C4'-P energy: -8.154
bonds (distance) P-C4' energy: -17.106
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -13.429
tors. eta vs tors. theta energy: -20.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -206.487309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.487309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.487309 (E_RNA)
where:
Base-Base interactions energy: -122.957
where: short stacking energy: -62.500
Base-Backbone interact. energy: -0.722
local terms energy: -82.808030
where:
bonds (distance) C4'-P energy: -18.204
bonds (distance) P-C4' energy: -17.585
flat angles C4'-P-C4' energy: -18.273
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -18.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -207.041935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.041935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.041935 (E_RNA)
where:
Base-Base interactions energy: -129.742
where: short stacking energy: -57.790
Base-Backbone interact. energy: -0.126
local terms energy: -77.173454
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -15.030
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: 6, replica: 5
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -201.948771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.948771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.948771 (E_RNA)
where:
Base-Base interactions energy: -121.016
where: short stacking energy: -59.948
Base-Backbone interact. energy: -0.157
local terms energy: -80.775316
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -20.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -152.193414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.193414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.193414 (E_RNA)
where:
Base-Base interactions energy: -97.452
where: short stacking energy: -31.400
Base-Backbone interact. energy: -0.522
local terms energy: -54.218710
where:
bonds (distance) C4'-P energy: -18.322
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: 5.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -151.837375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.837375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.837375 (E_RNA)
where:
Base-Base interactions energy: -94.945
where: short stacking energy: -53.171
Base-Backbone interact. energy: -0.110
local terms energy: -56.782383
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -6.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -98.870529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.870529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.870529 (E_RNA)
where:
Base-Base interactions energy: -40.379
where: short stacking energy: -40.379
Base-Backbone interact. energy: -0.025
local terms energy: -58.466265
where:
bonds (distance) C4'-P energy: -11.133
bonds (distance) P-C4' energy: -14.974
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -8.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -96.461932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.461932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.461932 (E_RNA)
where:
Base-Base interactions energy: -35.216
where: short stacking energy: -35.216
Base-Backbone interact. energy: -0.005
local terms energy: -61.240751
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -18.038
flat angles C4'-P-C4' energy: -11.051
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -6.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -224.321438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.321438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.321438 (E_RNA)
where:
Base-Base interactions energy: -134.541
where: short stacking energy: -77.164
Base-Backbone interact. energy: -0.147
local terms energy: -89.633420
where:
bonds (distance) C4'-P energy: -18.417
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -20.900
flat angles P-C4'-P energy: -14.047
tors. eta vs tors. theta energy: -17.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -219.927296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.927296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.927296 (E_RNA)
where:
Base-Base interactions energy: -142.631
where: short stacking energy: -65.195
Base-Backbone interact. energy: 1.614
local terms energy: -78.909925
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -19.123
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -17.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -218.223551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.223551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.223551 (E_RNA)
where:
Base-Base interactions energy: -136.731
where: short stacking energy: -66.698
Base-Backbone interact. energy: -0.016
local terms energy: -81.476062
where:
bonds (distance) C4'-P energy: -16.951
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -13.059
tors. eta vs tors. theta energy: -18.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -211.526553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.526553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.526553 (E_RNA)
where:
Base-Base interactions energy: -140.721
where: short stacking energy: -61.687
Base-Backbone interact. energy: -0.178
local terms energy: -70.627503
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -19.625
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: -10.735
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: 7
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -188.894207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.894207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.894207 (E_RNA)
where:
Base-Base interactions energy: -114.523
where: short stacking energy: -58.616
Base-Backbone interact. energy: 0.291
local terms energy: -74.661572
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -17.736
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -15.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -192.118471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.118471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.118471 (E_RNA)
where:
Base-Base interactions energy: -125.509
where: short stacking energy: -64.803
Base-Backbone interact. energy: -0.088
local terms energy: -66.522174
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: -15.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -103.563626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.563626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.563626 (E_RNA)
where:
Base-Base interactions energy: -43.599
where: short stacking energy: -43.508
Base-Backbone interact. energy: -0.264
local terms energy: -59.701148
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -6.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -168.669138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.669138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.669138 (E_RNA)
where:
Base-Base interactions energy: -110.426
where: short stacking energy: -55.223
Base-Backbone interact. energy: -0.017
local terms energy: -58.225752
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -13.301
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: -5.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -88.213355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.213355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.213355 (E_RNA)
where:
Base-Base interactions energy: -28.478
where: short stacking energy: -24.063
Base-Backbone interact. energy: -0.027
local terms energy: -59.708225
where:
bonds (distance) C4'-P energy: -18.776
bonds (distance) P-C4' energy: -16.155
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -0.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -89.387132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.387132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.387132 (E_RNA)
where:
Base-Base interactions energy: -38.080
where: short stacking energy: -34.885
Base-Backbone interact. energy: 0.916
local terms energy: -52.223195
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -5.434
tors. eta vs tors. theta energy: -1.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -240.742985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.742985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.742985 (E_RNA)
where:
Base-Base interactions energy: -164.170
where: short stacking energy: -82.231
Base-Backbone interact. energy: -0.105
local terms energy: -76.468680
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -18.839
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -18.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -234.265707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.265707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.265707 (E_RNA)
where:
Base-Base interactions energy: -145.877
where: short stacking energy: -71.632
Base-Backbone interact. energy: -0.233
local terms energy: -88.156525
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -19.731
flat angles C4'-P-C4' energy: -17.387
flat angles P-C4'-P energy: -14.392
tors. eta vs tors. theta energy: -19.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -202.710157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.710157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.710157 (E_RNA)
where:
Base-Base interactions energy: -130.027
where: short stacking energy: -67.754
Base-Backbone interact. energy: -0.102
local terms energy: -72.581366
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -14.816
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: 6
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -188.069579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.069579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.069579 (E_RNA)
where:
Base-Base interactions energy: -113.345
where: short stacking energy: -51.561
Base-Backbone interact. energy: -0.400
local terms energy: -74.324519
where:
bonds (distance) C4'-P energy: -19.225
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -18.560
flat angles P-C4'-P energy: -2.436
tors. eta vs tors. theta energy: -15.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -184.639438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.639438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.639438 (E_RNA)
where:
Base-Base interactions energy: -116.937
where: short stacking energy: -59.099
Base-Backbone interact. energy: 0.886
local terms energy: -68.589064
where:
bonds (distance) C4'-P energy: -18.723
bonds (distance) P-C4' energy: -15.683
flat angles C4'-P-C4' energy: -10.800
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -10.312
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: 7
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -183.069355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.069355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.069355 (E_RNA)
where:
Base-Base interactions energy: -113.971
where: short stacking energy: -42.812
Base-Backbone interact. energy: -0.105
local terms energy: -68.993780
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -14.208
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -12.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -165.023056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.023056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.023056 (E_RNA)
where:
Base-Base interactions energy: -94.462
where: short stacking energy: -53.031
Base-Backbone interact. energy: -0.062
local terms energy: -70.498631
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -18.255
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -11.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -102.285446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.285446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.285446 (E_RNA)
where:
Base-Base interactions energy: -41.873
where: short stacking energy: -43.373
Base-Backbone interact. energy: -0.115
local terms energy: -60.298279
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -15.302
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -4.189
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: 4
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -96.599632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.599632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.599632 (E_RNA)
where:
Base-Base interactions energy: -35.975
where: short stacking energy: -31.895
Base-Backbone interact. energy: -0.723
local terms energy: -59.901837
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -6.948
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: 1
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -80.726530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.726530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.726530 (E_RNA)
where:
Base-Base interactions energy: -34.426
where: short stacking energy: -33.558
Base-Backbone interact. energy: -0.182
local terms energy: -46.118220
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -13.580
flat angles C4'-P-C4' energy: -11.308
flat angles P-C4'-P energy: -6.268
tors. eta vs tors. theta energy: -2.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -237.741240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.741240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.741240 (E_RNA)
where:
Base-Base interactions energy: -153.323
where: short stacking energy: -71.818
Base-Backbone interact. energy: -0.493
local terms energy: -83.925469
where:
bonds (distance) C4'-P energy: -17.978
bonds (distance) P-C4' energy: -19.543
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -18.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -218.668326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.668326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.668326 (E_RNA)
where:
Base-Base interactions energy: -145.560
where: short stacking energy: -61.579
Base-Backbone interact. energy: -0.321
local terms energy: -72.787719
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -7.641
tors. eta vs tors. theta energy: -14.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -223.101330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.101330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.101330 (E_RNA)
where:
Base-Base interactions energy: -136.782
where: short stacking energy: -79.961
Base-Backbone interact. energy: -0.015
local terms energy: -86.303844
where:
bonds (distance) C4'-P energy: -19.274
bonds (distance) P-C4' energy: -12.477
flat angles C4'-P-C4' energy: -18.702
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -22.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -187.408586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.408586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.408586 (E_RNA)
where:
Base-Base interactions energy: -105.626
where: short stacking energy: -56.327
Base-Backbone interact. energy: -0.045
local terms energy: -81.738065
where:
bonds (distance) C4'-P energy: -19.866
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -18.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -179.885439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.885439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.885439 (E_RNA)
where:
Base-Base interactions energy: -112.150
where: short stacking energy: -55.126
Base-Backbone interact. energy: -0.367
local terms energy: -67.368351
where:
bonds (distance) C4'-P energy: -10.606
bonds (distance) P-C4' energy: -18.664
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -13.191
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: 6, replica: 3
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -176.542453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.542453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.542453 (E_RNA)
where:
Base-Base interactions energy: -99.359
where: short stacking energy: -55.173
Base-Backbone interact. energy: -0.348
local terms energy: -76.835728
where:
bonds (distance) C4'-P energy: -17.780
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -10.314
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: 7, replica: 7
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -189.954116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.954116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.954116 (E_RNA)
where:
Base-Base interactions energy: -124.970
where: short stacking energy: -56.569
Base-Backbone interact. energy: -0.021
local terms energy: -64.964075
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -11.112
flat angles C4'-P-C4' energy: -19.552
flat angles P-C4'-P energy: -7.252
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: 8, replica: 10
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -95.335699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.335699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.335699 (E_RNA)
where:
Base-Base interactions energy: -35.593
where: short stacking energy: -34.310
Base-Backbone interact. energy: -0.905
local terms energy: -58.837317
where:
bonds (distance) C4'-P energy: -18.113
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -5.349
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: 9, replica: 4
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -99.555341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.555341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.555341 (E_RNA)
where:
Base-Base interactions energy: -38.633
where: short stacking energy: -38.101
Base-Backbone interact. energy: -0.083
local terms energy: -60.838756
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -2.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -91.966463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.966463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.966463 (E_RNA)
where:
Base-Base interactions energy: -33.447
where: short stacking energy: -33.447
Base-Backbone interact. energy: -0.059
local terms energy: -58.460781
where:
bonds (distance) C4'-P energy: -7.851
bonds (distance) P-C4' energy: -15.792
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -10.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -242.151432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.151432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.151432 (E_RNA)
where:
Base-Base interactions energy: -158.064
where: short stacking energy: -79.410
Base-Backbone interact. energy: -0.111
local terms energy: -83.976700
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -19.883
flat angles C4'-P-C4' energy: -18.330
flat angles P-C4'-P energy: -8.625
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: 2
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -210.250076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.250076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.250076 (E_RNA)
where:
Base-Base interactions energy: -132.330
where: short stacking energy: -58.711
Base-Backbone interact. energy: -0.269
local terms energy: -77.650346
where:
bonds (distance) C4'-P energy: -19.079
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -16.735
flat angles P-C4'-P energy: -13.103
tors. eta vs tors. theta energy: -12.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -203.348177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.348177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.348177 (E_RNA)
where:
Base-Base interactions energy: -130.521
where: short stacking energy: -64.580
Base-Backbone interact. energy: 1.263
local terms energy: -74.090241
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -18.173
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -16.840
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: 9
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -214.221837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.221837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.221837 (E_RNA)
where:
Base-Base interactions energy: -139.296
where: short stacking energy: -74.173
Base-Backbone interact. energy: -0.101
local terms energy: -74.824490
where:
bonds (distance) C4'-P energy: -12.601
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -17.948
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -19.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -185.552369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.552369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.552369 (E_RNA)
where:
Base-Base interactions energy: -113.903
where: short stacking energy: -51.525
Base-Backbone interact. energy: -0.564
local terms energy: -71.085346
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -8.379
tors. eta vs tors. theta energy: -17.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -170.660022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.660022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.660022 (E_RNA)
where:
Base-Base interactions energy: -99.467
where: short stacking energy: -50.699
Base-Backbone interact. energy: -0.358
local terms energy: -70.835634
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -19.608
flat angles P-C4'-P energy: -8.724
tors. eta vs tors. theta energy: -12.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -105.843956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.843956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.843956 (E_RNA)
where:
Base-Base interactions energy: -44.061
where: short stacking energy: -44.061
Base-Backbone interact. energy: 0.149
local terms energy: -61.931843
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -5.004
tors. eta vs tors. theta energy: -10.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -166.001253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.001253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.001253 (E_RNA)
where:
Base-Base interactions energy: -103.069
where: short stacking energy: -47.763
Base-Backbone interact. energy: -0.199
local terms energy: -62.733214
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -13.316
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -11.039
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: 1
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -94.530718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.530718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.530718 (E_RNA)
where:
Base-Base interactions energy: -32.262
where: short stacking energy: -30.899
Base-Backbone interact. energy: -0.144
local terms energy: -62.125616
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -16.074
flat angles C4'-P-C4' energy: -12.497
flat angles P-C4'-P energy: -13.418
tors. eta vs tors. theta energy: -3.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -85.265004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.265004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.265004 (E_RNA)
where:
Base-Base interactions energy: -33.458
where: short stacking energy: -33.458
Base-Backbone interact. energy: -0.073
local terms energy: -51.734429
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -10.933
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -2.527
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: 1, replica: 8
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -223.283631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.283631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.283631 (E_RNA)
where:
Base-Base interactions energy: -143.032
where: short stacking energy: -70.858
Base-Backbone interact. energy: -0.097
local terms energy: -80.155241
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -19.814
flat angles C4'-P-C4' energy: -18.831
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -19.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -198.616778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.616778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.616778 (E_RNA)
where:
Base-Base interactions energy: -126.940
where: short stacking energy: -60.881
Base-Backbone interact. energy: -0.197
local terms energy: -71.479213
where:
bonds (distance) C4'-P energy: -17.287
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -18.558
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -13.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -214.482772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.482772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.482772 (E_RNA)
where:
Base-Base interactions energy: -130.717
where: short stacking energy: -62.761
Base-Backbone interact. energy: -0.106
local terms energy: -83.660028
where:
bonds (distance) C4'-P energy: -18.417
bonds (distance) P-C4' energy: -17.171
flat angles C4'-P-C4' energy: -17.372
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -19.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -200.827676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.827676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.827676 (E_RNA)
where:
Base-Base interactions energy: -122.652
where: short stacking energy: -68.408
Base-Backbone interact. energy: -0.359
local terms energy: -77.816972
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -18.341
flat angles P-C4'-P energy: -10.269
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: 5, replica: 6
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -158.629929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.629929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.629929 (E_RNA)
where:
Base-Base interactions energy: -86.291
where: short stacking energy: -47.495
Base-Backbone interact. energy: -0.191
local terms energy: -72.148080
where:
bonds (distance) C4'-P energy: -19.700
bonds (distance) P-C4' energy: -18.051
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -12.219
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: 6, replica: 3
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -179.998905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.998905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.998905 (E_RNA)
where:
Base-Base interactions energy: -105.821
where: short stacking energy: -60.766
Base-Backbone interact. energy: -0.310
local terms energy: -73.868310
where:
bonds (distance) C4'-P energy: -18.553
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -11.907
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -15.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -104.330017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.330017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.330017 (E_RNA)
where:
Base-Base interactions energy: -42.728
where: short stacking energy: -42.728
Base-Backbone interact. energy: -0.045
local terms energy: -61.556445
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -17.729
flat angles C4'-P-C4' energy: -8.496
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -11.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -168.019919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.019919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.019919 (E_RNA)
where:
Base-Base interactions energy: -104.483
where: short stacking energy: -42.181
Base-Backbone interact. energy: -0.203
local terms energy: -63.333393
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -10.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -101.340841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.340841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.340841 (E_RNA)
where:
Base-Base interactions energy: -32.107
where: short stacking energy: -32.107
Base-Backbone interact. energy: -0.204
local terms energy: -69.030596
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -13.637
tors. eta vs tors. theta energy: -5.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -94.048400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.048400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.048400 (E_RNA)
where:
Base-Base interactions energy: -38.413
where: short stacking energy: -38.413
Base-Backbone interact. energy: -0.183
local terms energy: -55.451706
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -2.334
tors. eta vs tors. theta energy: -9.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -229.868811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.868811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.868811 (E_RNA)
where:
Base-Base interactions energy: -151.426
where: short stacking energy: -76.801
Base-Backbone interact. energy: -0.168
local terms energy: -78.275743
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -17.257
flat angles C4'-P-C4' energy: -19.785
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -19.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -195.720887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.720887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.720887 (E_RNA)
where:
Base-Base interactions energy: -125.088
where: short stacking energy: -58.067
Base-Backbone interact. energy: -1.258
local terms energy: -69.375215
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -11.424
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -16.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -215.273787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.273787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.273787 (E_RNA)
where:
Base-Base interactions energy: -136.440
where: short stacking energy: -68.974
Base-Backbone interact. energy: -0.053
local terms energy: -78.781296
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -19.147
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -17.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -213.643170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.643170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.643170 (E_RNA)
where:
Base-Base interactions energy: -128.517
where: short stacking energy: -63.921
Base-Backbone interact. energy: -0.145
local terms energy: -84.981571
where:
bonds (distance) C4'-P energy: -16.964
bonds (distance) P-C4' energy: -21.113
flat angles C4'-P-C4' energy: -18.352
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -17.839
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: 5, replica: 6
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -193.400176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.400176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.400176 (E_RNA)
where:
Base-Base interactions energy: -119.802
where: short stacking energy: -58.717
Base-Backbone interact. energy: -0.218
local terms energy: -73.380186
where:
bonds (distance) C4'-P energy: -18.809
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -2.252
tors. eta vs tors. theta energy: -18.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -191.563497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.563497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.563497 (E_RNA)
where:
Base-Base interactions energy: -117.704
where: short stacking energy: -62.456
Base-Backbone interact. energy: -0.191
local terms energy: -73.669079
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: -14.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -168.318486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.318486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.318486 (E_RNA)
where:
Base-Base interactions energy: -98.590
where: short stacking energy: -49.817
Base-Backbone interact. energy: -0.147
local terms energy: -69.581510
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -17.222
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -12.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -89.443422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.443422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.443422 (E_RNA)
where:
Base-Base interactions energy: -34.076
where: short stacking energy: -30.466
Base-Backbone interact. energy: 2.041
local terms energy: -57.407877
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -16.739
flat angles C4'-P-C4' energy: -17.542
flat angles P-C4'-P energy: -8.046
tors. eta vs tors. theta energy: -1.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -88.442438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.442438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.442438 (E_RNA)
where:
Base-Base interactions energy: -32.456
where: short stacking energy: -25.423
Base-Backbone interact. energy: -0.408
local terms energy: -55.577621
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: 1.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -97.615069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.615069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.615069 (E_RNA)
where:
Base-Base interactions energy: -36.882
where: short stacking energy: -29.985
Base-Backbone interact. energy: -0.386
local terms energy: -60.346653
where:
bonds (distance) C4'-P energy: -18.947
bonds (distance) P-C4' energy: -12.343
flat angles C4'-P-C4' energy: -18.807
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: -3.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -234.270883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.270883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.270883 (E_RNA)
where:
Base-Base interactions energy: -145.817
where: short stacking energy: -77.065
Base-Backbone interact. energy: -0.217
local terms energy: -88.236566
where:
bonds (distance) C4'-P energy: -16.284
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -18.688
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: -23.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -223.993378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.993378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.993378 (E_RNA)
where:
Base-Base interactions energy: -133.589
where: short stacking energy: -81.850
Base-Backbone interact. energy: -0.072
local terms energy: -90.332445
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -18.685
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -14.928
tors. eta vs tors. theta energy: -22.325
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: 147
Temperature: 1.000000
Total energy: -196.001928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.001928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.001928 (E_RNA)
where:
Base-Base interactions energy: -124.976
where: short stacking energy: -60.853
Base-Backbone interact. energy: -0.087
local terms energy: -70.939275
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -17.146
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -10.247
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: 4, replica: 2
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -209.796558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.796558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.796558 (E_RNA)
where:
Base-Base interactions energy: -135.782
where: short stacking energy: -65.275
Base-Backbone interact. energy: -0.355
local terms energy: -73.659564
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -18.792
flat angles P-C4'-P energy: -6.859
tors. eta vs tors. theta energy: -13.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -187.095366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.095366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.095366 (E_RNA)
where:
Base-Base interactions energy: -112.376
where: short stacking energy: -57.983
Base-Backbone interact. energy: -0.952
local terms energy: -73.767846
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -20.161
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -14.441
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: 6, replica: 7
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -184.292822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.292822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.292822 (E_RNA)
where:
Base-Base interactions energy: -115.040
where: short stacking energy: -44.917
Base-Backbone interact. energy: 0.728
local terms energy: -69.980642
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -17.278
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -10.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -184.146092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.146092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.146092 (E_RNA)
where:
Base-Base interactions energy: -115.511
where: short stacking energy: -55.137
Base-Backbone interact. energy: -0.251
local terms energy: -68.385058
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -17.745
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -10.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -101.882208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.882208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.882208 (E_RNA)
where:
Base-Base interactions energy: -40.024
where: short stacking energy: -35.893
Base-Backbone interact. energy: -0.122
local terms energy: -61.736037
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -11.217
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -9.848
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: 4
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -90.009376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.009376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.009376 (E_RNA)
where:
Base-Base interactions energy: -35.130
where: short stacking energy: -24.659
Base-Backbone interact. energy: -0.280
local terms energy: -54.598744
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -18.926
flat angles C4'-P-C4' energy: -9.554
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -0.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -91.329009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.329009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.329009 (E_RNA)
where:
Base-Base interactions energy: -25.358
where: short stacking energy: -20.375
Base-Backbone interact. energy: -0.888
local terms energy: -65.082664
where:
bonds (distance) C4'-P energy: -18.225
bonds (distance) P-C4' energy: -21.128
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: 1.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -224.551656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.551656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.551656 (E_RNA)
where:
Base-Base interactions energy: -141.310
where: short stacking energy: -71.905
Base-Backbone interact. energy: -0.179
local terms energy: -83.062669
where:
bonds (distance) C4'-P energy: -18.135
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -19.634
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: -16.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -217.701920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.701920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.701920 (E_RNA)
where:
Base-Base interactions energy: -138.296
where: short stacking energy: -70.532
Base-Backbone interact. energy: -0.065
local terms energy: -79.340649
where:
bonds (distance) C4'-P energy: -20.064
bonds (distance) P-C4' energy: -17.085
flat angles C4'-P-C4' energy: -18.520
flat angles P-C4'-P energy: -5.545
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: 2
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -217.549258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.549258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.549258 (E_RNA)
where:
Base-Base interactions energy: -131.627
where: short stacking energy: -68.033
Base-Backbone interact. energy: -0.748
local terms energy: -85.173370
where:
bonds (distance) C4'-P energy: -16.301
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -15.769
tors. eta vs tors. theta energy: -18.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -199.449655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.449655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.449655 (E_RNA)
where:
Base-Base interactions energy: -125.767
where: short stacking energy: -56.426
Base-Backbone interact. energy: -0.317
local terms energy: -73.366299
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -16.574
flat angles C4'-P-C4' energy: -17.512
flat angles P-C4'-P energy: -10.290
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: 5, replica: 6
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -179.672320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.672320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.672320 (E_RNA)
where:
Base-Base interactions energy: -112.127
where: short stacking energy: -61.998
Base-Backbone interact. energy: -0.365
local terms energy: -67.180619
where:
bonds (distance) C4'-P energy: -19.924
bonds (distance) P-C4' energy: -14.066
flat angles C4'-P-C4' energy: -17.580
flat angles P-C4'-P energy: -5.978
tors. eta vs tors. theta energy: -9.633
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: 7
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -175.769721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.769721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.769721 (E_RNA)
where:
Base-Base interactions energy: -106.286
where: short stacking energy: -54.713
Base-Backbone interact. energy: -0.086
local terms energy: -69.398019
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -20.520
flat angles P-C4'-P energy: -6.868
tors. eta vs tors. theta energy: -9.871
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: 3
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -177.859893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.859893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.859893 (E_RNA)
where:
Base-Base interactions energy: -106.398
where: short stacking energy: -51.546
Base-Backbone interact. energy: 0.084
local terms energy: -71.546415
where:
bonds (distance) C4'-P energy: -8.898
bonds (distance) P-C4' energy: -19.518
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -15.605
tors. eta vs tors. theta energy: -11.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -91.632296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.632296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.632296 (E_RNA)
where:
Base-Base interactions energy: -32.233
where: short stacking energy: -28.034
Base-Backbone interact. energy: -0.014
local terms energy: -59.385706
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -18.696
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -0.014
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: 1
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -101.335206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.335206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.335206 (E_RNA)
where:
Base-Base interactions energy: -33.289
where: short stacking energy: -33.289
Base-Backbone interact. energy: -0.002
local terms energy: -68.044762
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -12.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -89.221003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.221003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.221003 (E_RNA)
where:
Base-Base interactions energy: -27.359
where: short stacking energy: -27.359
Base-Backbone interact. energy: -0.106
local terms energy: -61.755466
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -18.778
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -12.891
tors. eta vs tors. theta energy: -3.867
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: 8
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -225.500642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.500642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.500642 (E_RNA)
where:
Base-Base interactions energy: -146.704
where: short stacking energy: -76.125
Base-Backbone interact. energy: 0.046
local terms energy: -78.842847
where:
bonds (distance) C4'-P energy: -17.253
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -19.035
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: 2
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -238.037448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.037448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.037448 (E_RNA)
where:
Base-Base interactions energy: -151.393
where: short stacking energy: -79.289
Base-Backbone interact. energy: -0.320
local terms energy: -86.325191
where:
bonds (distance) C4'-P energy: -19.307
bonds (distance) P-C4' energy: -19.100
flat angles C4'-P-C4' energy: -16.970
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -17.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -225.771341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.771341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.771341 (E_RNA)
where:
Base-Base interactions energy: -147.845
where: short stacking energy: -80.060
Base-Backbone interact. energy: -0.114
local terms energy: -77.811881
where:
bonds (distance) C4'-P energy: -10.455
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -23.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -216.203119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.203119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.203119 (E_RNA)
where:
Base-Base interactions energy: -139.168
where: short stacking energy: -64.330
Base-Backbone interact. energy: -0.247
local terms energy: -76.788489
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -17.042
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -12.636
tors. eta vs tors. theta energy: -19.550
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: 5, replica: 5
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -185.918687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.918687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.918687 (E_RNA)
where:
Base-Base interactions energy: -110.201
where: short stacking energy: -63.588
Base-Backbone interact. energy: -0.113
local terms energy: -75.604853
where:
bonds (distance) C4'-P energy: -10.262
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -17.839
flat angles P-C4'-P energy: -12.240
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: 3
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -170.212474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.212474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.212474 (E_RNA)
where:
Base-Base interactions energy: -106.939
where: short stacking energy: -60.894
Base-Backbone interact. energy: -0.060
local terms energy: -63.212642
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -10.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -154.380666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.380666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.380666 (E_RNA)
where:
Base-Base interactions energy: -94.182
where: short stacking energy: -49.883
Base-Backbone interact. energy: -0.019
local terms energy: -60.180153
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -18.328
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: -5.322
tors. eta vs tors. theta energy: -9.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -103.688882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.688882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.688882 (E_RNA)
where:
Base-Base interactions energy: -48.360
where: short stacking energy: -47.127
Base-Backbone interact. energy: -0.012
local terms energy: -55.316118
where:
bonds (distance) C4'-P energy: -9.131
bonds (distance) P-C4' energy: -11.379
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -9.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -98.533383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.533383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.533383 (E_RNA)
where:
Base-Base interactions energy: -38.853
where: short stacking energy: -38.553
Base-Backbone interact. energy: -0.242
local terms energy: -59.438124
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -4.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -95.873173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.873173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.873173 (E_RNA)
where:
Base-Base interactions energy: -42.818
where: short stacking energy: -31.729
Base-Backbone interact. energy: -0.130
local terms energy: -52.925878
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -13.012
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -0.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -242.173040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.173040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.173040 (E_RNA)
where:
Base-Base interactions energy: -167.248
where: short stacking energy: -70.422
Base-Backbone interact. energy: -0.075
local terms energy: -74.849597
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -16.779
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -5.726
tors. eta vs tors. theta energy: -19.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -224.027207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.027207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.027207 (E_RNA)
where:
Base-Base interactions energy: -138.864
where: short stacking energy: -64.008
Base-Backbone interact. energy: -0.197
local terms energy: -84.966119
where:
bonds (distance) C4'-P energy: -16.600
bonds (distance) P-C4' energy: -21.039
flat angles C4'-P-C4' energy: -17.655
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: -16.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -225.130432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.130432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.130432 (E_RNA)
where:
Base-Base interactions energy: -132.633
where: short stacking energy: -72.123
Base-Backbone interact. energy: -0.035
local terms energy: -92.462915
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -21.364
flat angles C4'-P-C4' energy: -18.776
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -23.206
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: 6
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -210.139763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.139763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.139763 (E_RNA)
where:
Base-Base interactions energy: -136.423
where: short stacking energy: -66.252
Base-Backbone interact. energy: 2.767
local terms energy: -76.484013
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -17.858
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -11.046
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: 3
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -174.586701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.586701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.586701 (E_RNA)
where:
Base-Base interactions energy: -108.133
where: short stacking energy: -53.967
Base-Backbone interact. energy: -0.179
local terms energy: -66.274537
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -18.977
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -10.194
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: 6, replica: 5
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -181.025724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.025724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.025724 (E_RNA)
where:
Base-Base interactions energy: -107.087
where: short stacking energy: -56.196
Base-Backbone interact. energy: -0.077
local terms energy: -73.862574
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -17.458
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -10.688
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: 7, replica: 7
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -139.534220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.534220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.534220 (E_RNA)
where:
Base-Base interactions energy: -79.974
where: short stacking energy: -40.797
Base-Backbone interact. energy: -0.106
local terms energy: -59.453718
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -8.525
flat angles P-C4'-P energy: -9.920
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: 1
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -98.604463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.604463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.604463 (E_RNA)
where:
Base-Base interactions energy: -30.667
where: short stacking energy: -30.667
Base-Backbone interact. energy: -0.753
local terms energy: -67.184889
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -19.805
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: -4.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -88.013099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.013099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.013099 (E_RNA)
where:
Base-Base interactions energy: -31.927
where: short stacking energy: -23.550
Base-Backbone interact. energy: -0.334
local terms energy: -55.751815
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -12.044
flat angles P-C4'-P energy: -8.369
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: 10, replica: 4
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -81.304122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.304122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.304122 (E_RNA)
where:
Base-Base interactions energy: -28.437
where: short stacking energy: -23.985
Base-Backbone interact. energy: -0.315
local terms energy: -52.552375
where:
bonds (distance) C4'-P energy: -13.819
bonds (distance) P-C4' energy: -19.525
flat angles C4'-P-C4' energy: -10.583
flat angles P-C4'-P energy: -7.131
tors. eta vs tors. theta energy: -1.495
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: 2
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -237.792533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.792533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.792533 (E_RNA)
where:
Base-Base interactions energy: -158.364
where: short stacking energy: -69.918
Base-Backbone interact. energy: -0.041
local terms energy: -79.387919
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -20.154
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -18.254
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: 2, replica: 9
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -233.566610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.566610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.566610 (E_RNA)
where:
Base-Base interactions energy: -146.151
where: short stacking energy: -79.197
Base-Backbone interact. energy: -0.022
local terms energy: -87.393742
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -19.227
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -14.482
tors. eta vs tors. theta energy: -21.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -214.646316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.646316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.646316 (E_RNA)
where:
Base-Base interactions energy: -134.156
where: short stacking energy: -59.999
Base-Backbone interact. energy: -0.053
local terms energy: -80.437650
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: -16.249
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: 3
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -183.600141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.600141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.600141 (E_RNA)
where:
Base-Base interactions energy: -110.721
where: short stacking energy: -56.898
Base-Backbone interact. energy: -0.665
local terms energy: -72.214099
where:
bonds (distance) C4'-P energy: -16.569
bonds (distance) P-C4' energy: -17.244
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -12.439
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: 6
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -209.942531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.942531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.942531 (E_RNA)
where:
Base-Base interactions energy: -132.148
where: short stacking energy: -65.555
Base-Backbone interact. energy: -0.039
local terms energy: -77.755774
where:
bonds (distance) C4'-P energy: -18.164
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -16.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -191.111439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.111439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.111439 (E_RNA)
where:
Base-Base interactions energy: -121.608
where: short stacking energy: -60.721
Base-Backbone interact. energy: -0.016
local terms energy: -69.486881
where:
bonds (distance) C4'-P energy: -10.848
bonds (distance) P-C4' energy: -13.932
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -16.124
tors. eta vs tors. theta energy: -15.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -149.663780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.663780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.663780 (E_RNA)
where:
Base-Base interactions energy: -86.508
where: short stacking energy: -45.213
Base-Backbone interact. energy: -0.117
local terms energy: -63.039652
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -8.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -96.185941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.185941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.185941 (E_RNA)
where:
Base-Base interactions energy: -41.388
where: short stacking energy: -39.922
Base-Backbone interact. energy: -0.599
local terms energy: -54.198921
where:
bonds (distance) C4'-P energy: -9.177
bonds (distance) P-C4' energy: -15.556
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -5.332
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: 1
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -96.486671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.486671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.486671 (E_RNA)
where:
Base-Base interactions energy: -39.763
where: short stacking energy: -28.416
Base-Backbone interact. energy: -0.239
local terms energy: -56.485047
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: 0.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -95.308434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.308434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.308434 (E_RNA)
where:
Base-Base interactions energy: -36.920
where: short stacking energy: -36.097
Base-Backbone interact. energy: -0.276
local terms energy: -58.112293
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -12.366
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -2.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -231.645528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.645528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.645528 (E_RNA)
where:
Base-Base interactions energy: -140.450
where: short stacking energy: -70.682
Base-Backbone interact. energy: -0.102
local terms energy: -91.093890
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -19.049
flat angles C4'-P-C4' energy: -19.074
flat angles P-C4'-P energy: -15.998
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: 2, replica: 2
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -232.065158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.065158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.065158 (E_RNA)
where:
Base-Base interactions energy: -155.449
where: short stacking energy: -67.105
Base-Backbone interact. energy: 0.148
local terms energy: -76.763925
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -18.138
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -18.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -223.542810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.542810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.542810 (E_RNA)
where:
Base-Base interactions energy: -142.681
where: short stacking energy: -72.022
Base-Backbone interact. energy: -0.226
local terms energy: -80.636250
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -19.391
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -19.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -193.006503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.006503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.006503 (E_RNA)
where:
Base-Base interactions energy: -113.588
where: short stacking energy: -56.695
Base-Backbone interact. energy: -0.657
local terms energy: -78.761581
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -13.135
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: 5, replica: 6
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -215.517148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.517148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.517148 (E_RNA)
where:
Base-Base interactions energy: -148.920
where: short stacking energy: -66.480
Base-Backbone interact. energy: -0.074
local terms energy: -66.522743
where:
bonds (distance) C4'-P energy: -12.801
bonds (distance) P-C4' energy: -14.214
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -7.380
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: 6, replica: 5
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -189.261813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.261813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.261813 (E_RNA)
where:
Base-Base interactions energy: -106.311
where: short stacking energy: -58.372
Base-Backbone interact. energy: -0.403
local terms energy: -82.548142
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -12.788
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -13.913
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: 7
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -156.915545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.915545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.915545 (E_RNA)
where:
Base-Base interactions energy: -86.798
where: short stacking energy: -47.933
Base-Backbone interact. energy: 1.668
local terms energy: -71.785295
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -18.848
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -9.201
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: 8, replica: 10
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -95.601686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.601686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.601686 (E_RNA)
where:
Base-Base interactions energy: -36.825
where: short stacking energy: -36.361
Base-Backbone interact. energy: -0.201
local terms energy: -58.575578
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -5.966
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: 4
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -99.304950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.304950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.304950 (E_RNA)
where:
Base-Base interactions energy: -40.152
where: short stacking energy: -40.152
Base-Backbone interact. energy: -0.373
local terms energy: -58.779848
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -14.270
flat angles C4'-P-C4' energy: -10.034
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -10.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -109.224375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.224375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.224375 (E_RNA)
where:
Base-Base interactions energy: -47.249
where: short stacking energy: -40.057
Base-Backbone interact. energy: -0.054
local terms energy: -61.921484
where:
bonds (distance) C4'-P energy: -16.714
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -10.520
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: 1, replica: 9
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -233.477382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.477382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.477382 (E_RNA)
where:
Base-Base interactions energy: -144.972
where: short stacking energy: -84.228
Base-Backbone interact. energy: -0.339
local terms energy: -88.166746
where:
bonds (distance) C4'-P energy: -16.174
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -18.746
flat angles P-C4'-P energy: -13.228
tors. eta vs tors. theta energy: -23.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -237.192503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.192503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.192503 (E_RNA)
where:
Base-Base interactions energy: -155.752
where: short stacking energy: -79.058
Base-Backbone interact. energy: -0.057
local terms energy: -81.383997
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -17.980
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -19.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -230.640882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.640882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.640882 (E_RNA)
where:
Base-Base interactions energy: -151.442
where: short stacking energy: -67.583
Base-Backbone interact. energy: -0.176
local terms energy: -79.023705
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -19.939
flat angles P-C4'-P energy: -10.061
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: 4, replica: 6
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -217.315671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.315671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.315671 (E_RNA)
where:
Base-Base interactions energy: -141.651
where: short stacking energy: -63.391
Base-Backbone interact. energy: -0.053
local terms energy: -75.611690
where:
bonds (distance) C4'-P energy: -16.497
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -11.693
tors. eta vs tors. theta energy: -14.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -189.899168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.899168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.899168 (E_RNA)
where:
Base-Base interactions energy: -114.471
where: short stacking energy: -56.875
Base-Backbone interact. energy: -0.156
local terms energy: -75.271709
where:
bonds (distance) C4'-P energy: -15.673
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -10.946
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: 6, replica: 5
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -179.603184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.603184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.603184 (E_RNA)
where:
Base-Base interactions energy: -112.895
where: short stacking energy: -61.644
Base-Backbone interact. energy: -0.031
local terms energy: -66.676322
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -16.469
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -11.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -144.539828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.539828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.539828 (E_RNA)
where:
Base-Base interactions energy: -75.500
where: short stacking energy: -41.736
Base-Backbone interact. energy: -0.254
local terms energy: -68.785726
where:
bonds (distance) C4'-P energy: -15.965
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -18.674
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -9.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -90.241951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.241951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.241951 (E_RNA)
where:
Base-Base interactions energy: -31.875
where: short stacking energy: -31.875
Base-Backbone interact. energy: -0.022
local terms energy: -58.344558
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -20.222
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -2.685
tors. eta vs tors. theta energy: -6.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -87.418928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.418928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.418928 (E_RNA)
where:
Base-Base interactions energy: -32.272
where: short stacking energy: -23.957
Base-Backbone interact. energy: -0.129
local terms energy: -55.017980
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -6.631
flat angles C4'-P-C4' energy: -10.468
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -8.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -92.320567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.320567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.320567 (E_RNA)
where:
Base-Base interactions energy: -40.667
where: short stacking energy: -41.267
Base-Backbone interact. energy: -0.033
local terms energy: -51.620675
where:
bonds (distance) C4'-P energy: -11.355
bonds (distance) P-C4' energy: -12.082
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -7.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -230.369452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.369452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.369452 (E_RNA)
where:
Base-Base interactions energy: -140.475
where: short stacking energy: -67.041
Base-Backbone interact. energy: -0.039
local terms energy: -89.855136
where:
bonds (distance) C4'-P energy: -18.314
bonds (distance) P-C4' energy: -20.469
flat angles C4'-P-C4' energy: -20.611
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -19.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -216.295226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.295226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.295226 (E_RNA)
where:
Base-Base interactions energy: -137.434
where: short stacking energy: -64.106
Base-Backbone interact. energy: -0.336
local terms energy: -78.524852
where:
bonds (distance) C4'-P energy: -19.165
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -19.972
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -14.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -223.826409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.826409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.826409 (E_RNA)
where:
Base-Base interactions energy: -143.184
where: short stacking energy: -64.630
Base-Backbone interact. energy: -0.294
local terms energy: -80.348385
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -8.607
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: 4, replica: 2
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -231.939304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.939304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.939304 (E_RNA)
where:
Base-Base interactions energy: -153.034
where: short stacking energy: -65.901
Base-Backbone interact. energy: -0.096
local terms energy: -78.809122
where:
bonds (distance) C4'-P energy: -18.189
bonds (distance) P-C4' energy: -15.446
flat angles C4'-P-C4' energy: -19.527
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -16.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -181.232066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.232066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.232066 (E_RNA)
where:
Base-Base interactions energy: -114.662
where: short stacking energy: -52.484
Base-Backbone interact. energy: -0.012
local terms energy: -66.557714
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -12.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -176.709413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.709413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.709413 (E_RNA)
where:
Base-Base interactions energy: -117.282
where: short stacking energy: -47.985
Base-Backbone interact. energy: 1.147
local terms energy: -60.574416
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -10.984
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -9.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -159.060811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.060811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.060811 (E_RNA)
where:
Base-Base interactions energy: -90.744
where: short stacking energy: -50.457
Base-Backbone interact. energy: -0.110
local terms energy: -68.207455
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -15.174
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -11.514
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: 8, replica: 4
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -88.753945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.753945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.753945 (E_RNA)
where:
Base-Base interactions energy: -26.344
where: short stacking energy: -26.344
Base-Backbone interact. energy: -0.111
local terms energy: -62.299174
where:
bonds (distance) C4'-P energy: -19.266
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -11.770
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -2.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -93.158730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.158730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.158730 (E_RNA)
where:
Base-Base interactions energy: -35.946
where: short stacking energy: -31.976
Base-Backbone interact. energy: -0.155
local terms energy: -57.057388
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -17.258
flat angles C4'-P-C4' energy: -12.124
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -2.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -79.166831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.166831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.166831 (E_RNA)
where:
Base-Base interactions energy: -30.978
where: short stacking energy: -30.978
Base-Backbone interact. energy: 0.520
local terms energy: -48.709052
where:
bonds (distance) C4'-P energy: -11.340
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -10.222
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: 1, replica: 8
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -227.197436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.197436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.197436 (E_RNA)
where:
Base-Base interactions energy: -148.354
where: short stacking energy: -72.747
Base-Backbone interact. energy: -0.098
local terms energy: -78.745778
where:
bonds (distance) C4'-P energy: -13.239
bonds (distance) P-C4' energy: -17.723
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -19.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -213.563857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.563857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.563857 (E_RNA)
where:
Base-Base interactions energy: -125.192
where: short stacking energy: -68.069
Base-Backbone interact. energy: 0.940
local terms energy: -89.311799
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -20.611
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: -20.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -211.377864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.377864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.377864 (E_RNA)
where:
Base-Base interactions energy: -132.175
where: short stacking energy: -75.624
Base-Backbone interact. energy: 0.889
local terms energy: -80.092206
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -15.081
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -21.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -196.057205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.057205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.057205 (E_RNA)
where:
Base-Base interactions energy: -119.661
where: short stacking energy: -59.839
Base-Backbone interact. energy: -0.045
local terms energy: -76.351882
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -16.208
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -14.718
tors. eta vs tors. theta energy: -13.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -204.148236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.148236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.148236 (E_RNA)
where:
Base-Base interactions energy: -138.326
where: short stacking energy: -57.897
Base-Backbone interact. energy: 1.313
local terms energy: -67.134979
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -7.289
tors. eta vs tors. theta energy: -13.876
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: 7
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -160.252962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.252962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.252962 (E_RNA)
where:
Base-Base interactions energy: -90.936
where: short stacking energy: -49.471
Base-Backbone interact. energy: -0.259
local terms energy: -69.057104
where:
bonds (distance) C4'-P energy: -18.996
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -16.650
flat angles P-C4'-P energy: -6.623
tors. eta vs tors. theta energy: -9.441
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: 3
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -158.822875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.822875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.822875 (E_RNA)
where:
Base-Base interactions energy: -95.246
where: short stacking energy: -44.066
Base-Backbone interact. energy: 1.273
local terms energy: -64.850146
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -16.877
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -6.838
tors. eta vs tors. theta energy: -8.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -106.195604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.195604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.195604 (E_RNA)
where:
Base-Base interactions energy: -39.217
where: short stacking energy: -37.952
Base-Backbone interact. energy: -0.073
local terms energy: -66.905030
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -17.567
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -14.901
tors. eta vs tors. theta energy: -8.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -80.871974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.871974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.871974 (E_RNA)
where:
Base-Base interactions energy: -33.937
where: short stacking energy: -27.026
Base-Backbone interact. energy: -0.106
local terms energy: -46.828942
where:
bonds (distance) C4'-P energy: -10.238
bonds (distance) P-C4' energy: -12.052
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -5.423
tors. eta vs tors. theta energy: -2.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -81.324107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.324107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.324107 (E_RNA)
where:
Base-Base interactions energy: -22.483
where: short stacking energy: -18.275
Base-Backbone interact. energy: 0.151
local terms energy: -58.992415
where:
bonds (distance) C4'-P energy: -18.632
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: 1.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -230.812082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.812082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.812082 (E_RNA)
where:
Base-Base interactions energy: -151.415
where: short stacking energy: -73.606
Base-Backbone interact. energy: -0.098
local terms energy: -79.299076
where:
bonds (distance) C4'-P energy: -18.475
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -17.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -225.197034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.197034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.197034 (E_RNA)
where:
Base-Base interactions energy: -141.092
where: short stacking energy: -79.636
Base-Backbone interact. energy: -0.074
local terms energy: -84.030842
where:
bonds (distance) C4'-P energy: -17.433
bonds (distance) P-C4' energy: -17.715
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -21.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -212.007514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.007514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.007514 (E_RNA)
where:
Base-Base interactions energy: -137.995
where: short stacking energy: -73.511
Base-Backbone interact. energy: -0.157
local terms energy: -73.855130
where:
bonds (distance) C4'-P energy: -11.845
bonds (distance) P-C4' energy: -12.174
flat angles C4'-P-C4' energy: -18.612
flat angles P-C4'-P energy: -6.958
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: 4, replica: 5
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -207.481787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.481787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.481787 (E_RNA)
where:
Base-Base interactions energy: -134.482
where: short stacking energy: -63.732
Base-Backbone interact. energy: -0.020
local terms energy: -72.979188
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -20.039
flat angles C4'-P-C4' energy: -17.635
flat angles P-C4'-P energy: -6.476
tors. eta vs tors. theta energy: -13.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -161.241217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.241217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.241217 (E_RNA)
where:
Base-Base interactions energy: -86.204
where: short stacking energy: -46.198
Base-Backbone interact. energy: -0.098
local terms energy: -74.938941
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -17.064
flat angles C4'-P-C4' energy: -21.193
flat angles P-C4'-P energy: -10.005
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: 2
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -165.655304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.655304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.655304 (E_RNA)
where:
Base-Base interactions energy: -96.591
where: short stacking energy: -38.721
Base-Backbone interact. energy: 0.038
local terms energy: -69.101959
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -15.142
tors. eta vs tors. theta energy: -7.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -95.171843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.171843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.171843 (E_RNA)
where:
Base-Base interactions energy: -41.655
where: short stacking energy: -41.655
Base-Backbone interact. energy: -0.056
local terms energy: -53.461338
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -4.222
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: -12.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -167.810317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.810317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.810317 (E_RNA)
where:
Base-Base interactions energy: -95.246
where: short stacking energy: -49.121
Base-Backbone interact. energy: -0.167
local terms energy: -72.396554
where:
bonds (distance) C4'-P energy: -17.888
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -17.474
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: -13.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -91.313266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.313266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.313266 (E_RNA)
where:
Base-Base interactions energy: -40.322
where: short stacking energy: -26.080
Base-Backbone interact. energy: -0.127
local terms energy: -50.864764
where:
bonds (distance) C4'-P energy: -10.203
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -7.800
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -4.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -101.466556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.466556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.466556 (E_RNA)
where:
Base-Base interactions energy: -36.169
where: short stacking energy: -25.706
Base-Backbone interact. energy: 0.219
local terms energy: -65.516631
where:
bonds (distance) C4'-P energy: -17.055
bonds (distance) P-C4' energy: -18.675
flat angles C4'-P-C4' energy: -18.622
flat angles P-C4'-P energy: -3.509
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: 1, replica: 8
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -232.675037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.675037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.675037 (E_RNA)
where:
Base-Base interactions energy: -154.624
where: short stacking energy: -75.141
Base-Backbone interact. energy: -0.070
local terms energy: -77.981180
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -20.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -229.340487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.340487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.340487 (E_RNA)
where:
Base-Base interactions energy: -142.319
where: short stacking energy: -77.149
Base-Backbone interact. energy: -0.163
local terms energy: -86.857978
where:
bonds (distance) C4'-P energy: -17.264
bonds (distance) P-C4' energy: -18.348
flat angles C4'-P-C4' energy: -18.004
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -21.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -220.552006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.552006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.552006 (E_RNA)
where:
Base-Base interactions energy: -137.400
where: short stacking energy: -80.848
Base-Backbone interact. energy: -0.020
local terms energy: -83.132622
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -18.795
flat angles C4'-P-C4' energy: -18.085
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -23.504
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: 4, replica: 5
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -206.685017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.685017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.685017 (E_RNA)
where:
Base-Base interactions energy: -122.320
where: short stacking energy: -60.452
Base-Backbone interact. energy: -0.094
local terms energy: -84.270972
where:
bonds (distance) C4'-P energy: -19.815
bonds (distance) P-C4' energy: -16.962
flat angles C4'-P-C4' energy: -20.627
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -16.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -175.971917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.971917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.971917 (E_RNA)
where:
Base-Base interactions energy: -105.914
where: short stacking energy: -65.883
Base-Backbone interact. energy: 0.171
local terms energy: -70.228436
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -10.523
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -12.948
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: 6, replica: 2
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -173.965480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.965480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.965480 (E_RNA)
where:
Base-Base interactions energy: -110.316
where: short stacking energy: -48.590
Base-Backbone interact. energy: -0.053
local terms energy: -63.597274
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -17.123
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -8.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -105.293134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.293134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.293134 (E_RNA)
where:
Base-Base interactions energy: -34.485
where: short stacking energy: -33.233
Base-Backbone interact. energy: -0.037
local terms energy: -70.770498
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -18.480
flat angles C4'-P-C4' energy: -18.196
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -9.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -162.342465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.342465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.342465 (E_RNA)
where:
Base-Base interactions energy: -101.315
where: short stacking energy: -52.895
Base-Backbone interact. energy: -0.122
local terms energy: -60.905097
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -18.660
flat angles C4'-P-C4' energy: -16.540
flat angles P-C4'-P energy: -7.684
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: 9, replica: 1
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -91.330986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.330986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.330986 (E_RNA)
where:
Base-Base interactions energy: -27.236
where: short stacking energy: -22.491
Base-Backbone interact. energy: -0.018
local terms energy: -64.077548
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -16.518
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -6.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -83.335356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.335356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.335356 (E_RNA)
where:
Base-Base interactions energy: -30.937
where: short stacking energy: -20.921
Base-Backbone interact. energy: -0.094
local terms energy: -52.305097
where:
bonds (distance) C4'-P energy: -16.058
bonds (distance) P-C4' energy: -12.067
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -7.022
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: 9
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -221.578211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.578211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.578211 (E_RNA)
where:
Base-Base interactions energy: -144.917
where: short stacking energy: -70.307
Base-Backbone interact. energy: -0.217
local terms energy: -76.444096
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -19.606
flat angles P-C4'-P energy: -11.122
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: 2, replica: 8
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -236.360808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.360808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.360808 (E_RNA)
where:
Base-Base interactions energy: -151.140
where: short stacking energy: -63.936
Base-Backbone interact. energy: 0.034
local terms energy: -85.255136
where:
bonds (distance) C4'-P energy: -20.308
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -18.791
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: -17.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -195.866559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.866559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.866559 (E_RNA)
where:
Base-Base interactions energy: -123.722
where: short stacking energy: -59.703
Base-Backbone interact. energy: -0.217
local terms energy: -71.927277
where:
bonds (distance) C4'-P energy: -20.338
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -11.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -209.322332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.322332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.322332 (E_RNA)
where:
Base-Base interactions energy: -135.002
where: short stacking energy: -71.889
Base-Backbone interact. energy: 2.465
local terms energy: -76.785900
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -17.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -193.020820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.020820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.020820 (E_RNA)
where:
Base-Base interactions energy: -111.527
where: short stacking energy: -65.073
Base-Backbone interact. energy: -0.097
local terms energy: -81.396307
where:
bonds (distance) C4'-P energy: -17.208
bonds (distance) P-C4' energy: -18.936
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -10.027
tors. eta vs tors. theta energy: -17.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -173.019615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.019615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.019615 (E_RNA)
where:
Base-Base interactions energy: -109.869
where: short stacking energy: -54.627
Base-Backbone interact. energy: -0.046
local terms energy: -63.104344
where:
bonds (distance) C4'-P energy: -7.634
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -17.920
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: -10.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -162.660009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.660009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.660009 (E_RNA)
where:
Base-Base interactions energy: -91.737
where: short stacking energy: -45.736
Base-Backbone interact. energy: -0.213
local terms energy: -70.709182
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -20.042
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -13.246
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: 4
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -96.757069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.757069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.757069 (E_RNA)
where:
Base-Base interactions energy: -33.484
where: short stacking energy: -32.455
Base-Backbone interact. energy: -0.008
local terms energy: -63.264571
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -18.791
flat angles C4'-P-C4' energy: -12.833
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -6.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -85.825100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.825100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.825100 (E_RNA)
where:
Base-Base interactions energy: -32.065
where: short stacking energy: -31.052
Base-Backbone interact. energy: -0.107
local terms energy: -53.653448
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -1.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -96.304195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.304195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.304195 (E_RNA)
where:
Base-Base interactions energy: -41.128
where: short stacking energy: -35.421
Base-Backbone interact. energy: -0.726
local terms energy: -54.450424
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -12.115
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -10.740
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: 1, replica: 9
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -232.722835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.722835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.722835 (E_RNA)
where:
Base-Base interactions energy: -144.460
where: short stacking energy: -80.221
Base-Backbone interact. energy: -0.011
local terms energy: -88.251790
where:
bonds (distance) C4'-P energy: -15.689
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -19.973
flat angles P-C4'-P energy: -15.122
tors. eta vs tors. theta energy: -20.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -232.470067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.470067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.470067 (E_RNA)
where:
Base-Base interactions energy: -152.216
where: short stacking energy: -69.287
Base-Backbone interact. energy: -0.119
local terms energy: -80.134298
where:
bonds (distance) C4'-P energy: -17.055
bonds (distance) P-C4' energy: -19.525
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -16.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -209.767687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.767687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.767687 (E_RNA)
where:
Base-Base interactions energy: -123.860
where: short stacking energy: -64.405
Base-Backbone interact. energy: -0.037
local terms energy: -85.870959
where:
bonds (distance) C4'-P energy: -18.437
bonds (distance) P-C4' energy: -18.770
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -14.775
tors. eta vs tors. theta energy: -18.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -198.073675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.073675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.073675 (E_RNA)
where:
Base-Base interactions energy: -122.671
where: short stacking energy: -68.845
Base-Backbone interact. energy: -0.081
local terms energy: -75.321373
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: -17.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -215.094668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.094668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.094668 (E_RNA)
where:
Base-Base interactions energy: -143.870
where: short stacking energy: -64.435
Base-Backbone interact. energy: -0.049
local terms energy: -71.175267
where:
bonds (distance) C4'-P energy: -11.091
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -13.831
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: 6, replica: 3
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -181.238720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.238720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.238720 (E_RNA)
where:
Base-Base interactions energy: -104.952
where: short stacking energy: -59.508
Base-Backbone interact. energy: -0.023
local terms energy: -76.263425
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -18.701
flat angles P-C4'-P energy: -5.790
tors. eta vs tors. theta energy: -17.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -164.595899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.595899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.595899 (E_RNA)
where:
Base-Base interactions energy: -95.780
where: short stacking energy: -44.080
Base-Backbone interact. energy: -0.086
local terms energy: -68.730001
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -9.154
tors. eta vs tors. theta energy: -10.971
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: 10
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -101.223192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.223192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.223192 (E_RNA)
where:
Base-Base interactions energy: -42.604
where: short stacking energy: -35.836
Base-Backbone interact. energy: -0.142
local terms energy: -58.477091
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -9.518
tors. eta vs tors. theta energy: -3.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -95.353304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.353304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.353304 (E_RNA)
where:
Base-Base interactions energy: -39.787
where: short stacking energy: -39.742
Base-Backbone interact. energy: 1.363
local terms energy: -56.929698
where:
bonds (distance) C4'-P energy: -18.354
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -8.004
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -4.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -95.867721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.867721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.867721 (E_RNA)
where:
Base-Base interactions energy: -48.145
where: short stacking energy: -35.037
Base-Backbone interact. energy: -0.915
local terms energy: -46.808226
where:
bonds (distance) C4'-P energy: -16.505
bonds (distance) P-C4' energy: -9.770
flat angles C4'-P-C4' energy: -4.880
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -6.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -238.448720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.448720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.448720 (E_RNA)
where:
Base-Base interactions energy: -142.094
where: short stacking energy: -83.187
Base-Backbone interact. energy: -0.004
local terms energy: -96.350337
where:
bonds (distance) C4'-P energy: -19.476
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -18.129
flat angles P-C4'-P energy: -14.124
tors. eta vs tors. theta energy: -25.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -226.530493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.530493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.530493 (E_RNA)
where:
Base-Base interactions energy: -143.609
where: short stacking energy: -70.595
Base-Backbone interact. energy: -0.104
local terms energy: -82.817385
where:
bonds (distance) C4'-P energy: -16.939
bonds (distance) P-C4' energy: -17.979
flat angles C4'-P-C4' energy: -16.603
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -20.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -214.892182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.892182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.892182 (E_RNA)
where:
Base-Base interactions energy: -133.613
where: short stacking energy: -69.415
Base-Backbone interact. energy: -0.030
local terms energy: -81.249303
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -14.503
tors. eta vs tors. theta energy: -20.214
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: 7
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -205.625658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.625658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.625658 (E_RNA)
where:
Base-Base interactions energy: -128.132
where: short stacking energy: -68.750
Base-Backbone interact. energy: 0.468
local terms energy: -77.961758
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -12.083
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: 5, replica: 6
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -200.384210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.384210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.384210 (E_RNA)
where:
Base-Base interactions energy: -119.869
where: short stacking energy: -65.357
Base-Backbone interact. energy: -0.228
local terms energy: -80.287347
where:
bonds (distance) C4'-P energy: -18.359
bonds (distance) P-C4' energy: -19.457
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -16.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -188.657830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.657830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.657830 (E_RNA)
where:
Base-Base interactions energy: -111.243
where: short stacking energy: -49.669
Base-Backbone interact. energy: -0.065
local terms energy: -77.349446
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -20.599
flat angles C4'-P-C4' energy: -17.248
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -12.602
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: 2
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -144.068120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.068120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.068120 (E_RNA)
where:
Base-Base interactions energy: -84.601
where: short stacking energy: -48.552
Base-Backbone interact. energy: 3.447
local terms energy: -62.914368
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -11.131
flat angles P-C4'-P energy: -12.297
tors. eta vs tors. theta energy: -6.008
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: 10
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -91.850234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.850234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.850234 (E_RNA)
where:
Base-Base interactions energy: -32.574
where: short stacking energy: -32.574
Base-Backbone interact. energy: -0.080
local terms energy: -59.196348
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -18.110
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -6.253
tors. eta vs tors. theta energy: -5.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -111.365779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.365779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.365779 (E_RNA)
where:
Base-Base interactions energy: -49.282
where: short stacking energy: -32.274
Base-Backbone interact. energy: -0.405
local terms energy: -61.678346
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -13.328
flat angles P-C4'-P energy: -11.819
tors. eta vs tors. theta energy: -8.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -83.367237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.367237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.367237 (E_RNA)
where:
Base-Base interactions energy: -23.043
where: short stacking energy: -24.543
Base-Backbone interact. energy: 1.538
local terms energy: -61.862195
where:
bonds (distance) C4'-P energy: -18.673
bonds (distance) P-C4' energy: -19.475
flat angles C4'-P-C4' energy: -12.864
flat angles P-C4'-P energy: -11.256
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: 1, replica: 9
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -228.454445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.454445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.454445 (E_RNA)
where:
Base-Base interactions energy: -138.888
where: short stacking energy: -78.431
Base-Backbone interact. energy: 0.042
local terms energy: -89.608793
where:
bonds (distance) C4'-P energy: -16.471
bonds (distance) P-C4' energy: -16.989
flat angles C4'-P-C4' energy: -19.829
flat angles P-C4'-P energy: -13.359
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: 8
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -244.163706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.163706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.163706 (E_RNA)
where:
Base-Base interactions energy: -160.463
where: short stacking energy: -68.762
Base-Backbone interact. energy: -0.231
local terms energy: -83.470203
where:
bonds (distance) C4'-P energy: -17.729
bonds (distance) P-C4' energy: -18.500
flat angles C4'-P-C4' energy: -17.744
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -18.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -209.040808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.040808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.040808 (E_RNA)
where:
Base-Base interactions energy: -124.553
where: short stacking energy: -67.467
Base-Backbone interact. energy: -0.197
local terms energy: -84.290366
where:
bonds (distance) C4'-P energy: -17.034
bonds (distance) P-C4' energy: -16.542
flat angles C4'-P-C4' energy: -19.415
flat angles P-C4'-P energy: -13.884
tors. eta vs tors. theta energy: -17.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -210.708082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.708082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.708082 (E_RNA)
where:
Base-Base interactions energy: -133.689
where: short stacking energy: -63.927
Base-Backbone interact. energy: -0.361
local terms energy: -76.658373
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -17.124
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -15.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -198.913191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.913191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.913191 (E_RNA)
where:
Base-Base interactions energy: -123.917
where: short stacking energy: -58.203
Base-Backbone interact. energy: -0.215
local terms energy: -74.781371
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -15.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -189.928926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.928926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.928926 (E_RNA)
where:
Base-Base interactions energy: -125.789
where: short stacking energy: -58.257
Base-Backbone interact. energy: -0.042
local terms energy: -64.097960
where:
bonds (distance) C4'-P energy: -8.200
bonds (distance) P-C4' energy: -19.080
flat angles C4'-P-C4' energy: -11.782
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -15.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -140.336297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.336297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.336297 (E_RNA)
where:
Base-Base interactions energy: -77.879
where: short stacking energy: -46.104
Base-Backbone interact. energy: -0.514
local terms energy: -61.943081
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -14.224
flat angles P-C4'-P energy: -3.583
tors. eta vs tors. theta energy: -11.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -134.488357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.488357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.488357 (E_RNA)
where:
Base-Base interactions energy: -72.649
where: short stacking energy: -34.816
Base-Backbone interact. energy: -0.489
local terms energy: -61.350240
where:
bonds (distance) C4'-P energy: -18.412
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -6.593
tors. eta vs tors. theta energy: -4.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -92.750446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.750446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.750446 (E_RNA)
where:
Base-Base interactions energy: -36.131
where: short stacking energy: -32.322
Base-Backbone interact. energy: -0.914
local terms energy: -55.705658
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -9.568
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -4.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -94.981346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.981346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.981346 (E_RNA)
where:
Base-Base interactions energy: -45.861
where: short stacking energy: -30.623
Base-Backbone interact. energy: -0.613
local terms energy: -48.506767
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -6.969
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: 8
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -236.837027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.837027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.837027 (E_RNA)
where:
Base-Base interactions energy: -151.186
where: short stacking energy: -73.171
Base-Backbone interact. energy: -0.276
local terms energy: -85.375110
where:
bonds (distance) C4'-P energy: -17.662
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -17.127
flat angles P-C4'-P energy: -12.706
tors. eta vs tors. theta energy: -19.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -238.150092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.150092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.150092 (E_RNA)
where:
Base-Base interactions energy: -160.443
where: short stacking energy: -88.369
Base-Backbone interact. energy: -0.076
local terms energy: -77.630282
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -11.408
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -23.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -209.970145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.970145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.970145 (E_RNA)
where:
Base-Base interactions energy: -135.887
where: short stacking energy: -63.993
Base-Backbone interact. energy: -0.237
local terms energy: -73.845922
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -18.529
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -17.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -190.350274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.350274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.350274 (E_RNA)
where:
Base-Base interactions energy: -117.744
where: short stacking energy: -64.662
Base-Backbone interact. energy: -0.079
local terms energy: -72.527087
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -7.378
tors. eta vs tors. theta energy: -15.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -196.093867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.093867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.093867 (E_RNA)
where:
Base-Base interactions energy: -117.286
where: short stacking energy: -58.215
Base-Backbone interact. energy: -0.094
local terms energy: -78.713688
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -18.795
flat angles C4'-P-C4' energy: -17.044
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -17.797
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: 3
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -179.632964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.632964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.632964 (E_RNA)
where:
Base-Base interactions energy: -110.312
where: short stacking energy: -48.216
Base-Backbone interact. energy: -0.049
local terms energy: -69.271490
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -18.614
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -10.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -154.048445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.048445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.048445 (E_RNA)
where:
Base-Base interactions energy: -95.477
where: short stacking energy: -45.771
Base-Backbone interact. energy: 1.258
local terms energy: -59.830071
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -10.995
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -8.562
tors. eta vs tors. theta energy: -11.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -138.577320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.577320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.577320 (E_RNA)
where:
Base-Base interactions energy: -80.134
where: short stacking energy: -51.108
Base-Backbone interact. energy: -0.162
local terms energy: -58.281775
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -16.644
flat angles C4'-P-C4' energy: -10.019
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -9.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -98.915000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.915000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.915000 (E_RNA)
where:
Base-Base interactions energy: -41.497
where: short stacking energy: -37.325
Base-Backbone interact. energy: -0.135
local terms energy: -57.283100
where:
bonds (distance) C4'-P energy: -18.021
bonds (distance) P-C4' energy: -17.095
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -6.771
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: 10, replica: 10
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -84.635677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.635677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.635677 (E_RNA)
where:
Base-Base interactions energy: -27.884
where: short stacking energy: -27.401
Base-Backbone interact. energy: -0.148
local terms energy: -56.604444
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -17.643
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: -1.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -238.254384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.254384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.254384 (E_RNA)
where:
Base-Base interactions energy: -153.242
where: short stacking energy: -75.012
Base-Backbone interact. energy: -0.174
local terms energy: -84.838217
where:
bonds (distance) C4'-P energy: -16.141
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -21.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -214.652252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.652252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.652252 (E_RNA)
where:
Base-Base interactions energy: -135.169
where: short stacking energy: -73.198
Base-Backbone interact. energy: -0.149
local terms energy: -79.333958
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -20.137
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -16.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -215.489483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.489483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.489483 (E_RNA)
where:
Base-Base interactions energy: -138.139
where: short stacking energy: -71.196
Base-Backbone interact. energy: -0.024
local terms energy: -77.325858
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -16.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -207.948820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.948820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.948820 (E_RNA)
where:
Base-Base interactions energy: -123.540
where: short stacking energy: -69.879
Base-Backbone interact. energy: -0.541
local terms energy: -83.867933
where:
bonds (distance) C4'-P energy: -18.209
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -17.361
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -20.113
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: 7
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -198.714869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.714869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.714869 (E_RNA)
where:
Base-Base interactions energy: -118.963
where: short stacking energy: -56.589
Base-Backbone interact. energy: -0.030
local terms energy: -79.721245
where:
bonds (distance) C4'-P energy: -17.960
bonds (distance) P-C4' energy: -20.942
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -10.904
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: 6, replica: 3
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -182.157741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.157741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.157741 (E_RNA)
where:
Base-Base interactions energy: -109.845
where: short stacking energy: -56.841
Base-Backbone interact. energy: -0.011
local terms energy: -72.301747
where:
bonds (distance) C4'-P energy: -17.013
bonds (distance) P-C4' energy: -16.373
flat angles C4'-P-C4' energy: -8.689
flat angles P-C4'-P energy: -11.358
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: 7, replica: 2
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -140.574835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.574835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.574835 (E_RNA)
where:
Base-Base interactions energy: -82.161
where: short stacking energy: -40.993
Base-Backbone interact. energy: -0.182
local terms energy: -58.231588
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -15.768
flat angles P-C4'-P energy: -6.508
tors. eta vs tors. theta energy: -0.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -135.090872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.090872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.090872 (E_RNA)
where:
Base-Base interactions energy: -71.581
where: short stacking energy: -31.894
Base-Backbone interact. energy: -0.410
local terms energy: -63.099722
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -21.343
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -5.755
tors. eta vs tors. theta energy: -6.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -101.808383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.808383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.808383 (E_RNA)
where:
Base-Base interactions energy: -39.746
where: short stacking energy: -39.547
Base-Backbone interact. energy: -0.201
local terms energy: -61.860886
where:
bonds (distance) C4'-P energy: -17.486
bonds (distance) P-C4' energy: -13.348
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -9.803
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: 10
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -97.740784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.740784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.740784 (E_RNA)
where:
Base-Base interactions energy: -34.529
where: short stacking energy: -34.529
Base-Backbone interact. energy: -0.189
local terms energy: -63.022993
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -5.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -226.137965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.137965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.137965 (E_RNA)
where:
Base-Base interactions energy: -142.720
where: short stacking energy: -80.318
Base-Backbone interact. energy: -0.007
local terms energy: -83.411423
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -20.852
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -25.025
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: 8
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -232.510092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.510092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.510092 (E_RNA)
where:
Base-Base interactions energy: -154.173
where: short stacking energy: -80.691
Base-Backbone interact. energy: -0.098
local terms energy: -78.238996
where:
bonds (distance) C4'-P energy: -15.528
bonds (distance) P-C4' energy: -11.842
flat angles C4'-P-C4' energy: -18.676
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -21.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -219.994692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.994692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.994692 (E_RNA)
where:
Base-Base interactions energy: -143.910
where: short stacking energy: -71.757
Base-Backbone interact. energy: -0.127
local terms energy: -75.957656
where:
bonds (distance) C4'-P energy: -14.249
bonds (distance) P-C4' energy: -18.029
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -8.724
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: 4, replica: 5
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -198.493822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.493822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.493822 (E_RNA)
where:
Base-Base interactions energy: -131.433
where: short stacking energy: -67.693
Base-Backbone interact. energy: 0.708
local terms energy: -67.768986
where:
bonds (distance) C4'-P energy: -16.293
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -11.970
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -15.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -195.091361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.091361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.091361 (E_RNA)
where:
Base-Base interactions energy: -115.687
where: short stacking energy: -61.610
Base-Backbone interact. energy: -0.135
local terms energy: -79.269284
where:
bonds (distance) C4'-P energy: -18.285
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -17.677
flat angles P-C4'-P energy: -14.193
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: 6, replica: 7
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -191.399338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.399338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.399338 (E_RNA)
where:
Base-Base interactions energy: -121.062
where: short stacking energy: -55.823
Base-Backbone interact. energy: -0.097
local terms energy: -70.240739
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -16.980
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -15.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -132.557615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.557615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.557615 (E_RNA)
where:
Base-Base interactions energy: -84.638
where: short stacking energy: -39.899
Base-Backbone interact. energy: -0.230
local terms energy: -47.689368
where:
bonds (distance) C4'-P energy: -8.121
bonds (distance) P-C4' energy: -10.455
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -10.403
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: 8, replica: 2
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -152.457715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.457715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.457715 (E_RNA)
where:
Base-Base interactions energy: -94.654
where: short stacking energy: -33.435
Base-Backbone interact. energy: -0.095
local terms energy: -57.708987
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -10.788
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -3.848
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: 10
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -89.509624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.509624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.509624 (E_RNA)
where:
Base-Base interactions energy: -34.278
where: short stacking energy: -33.822
Base-Backbone interact. energy: -0.146
local terms energy: -55.085620
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -1.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -88.192619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.192619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.192619 (E_RNA)
where:
Base-Base interactions energy: -28.027
where: short stacking energy: -25.158
Base-Backbone interact. energy: -0.251
local terms energy: -59.914099
where:
bonds (distance) C4'-P energy: -14.257
bonds (distance) P-C4' energy: -16.108
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -2.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -226.410264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.410264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.410264 (E_RNA)
where:
Base-Base interactions energy: -140.736
where: short stacking energy: -74.625
Base-Backbone interact. energy: -0.138
local terms energy: -85.535970
where:
bonds (distance) C4'-P energy: -20.702
bonds (distance) P-C4' energy: -18.942
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -9.721
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: 2, replica: 9
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -225.696123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.696123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.696123 (E_RNA)
where:
Base-Base interactions energy: -144.202
where: short stacking energy: -62.948
Base-Backbone interact. energy: -0.228
local terms energy: -81.265375
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -19.953
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -15.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -219.676171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.676171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.676171 (E_RNA)
where:
Base-Base interactions energy: -142.132
where: short stacking energy: -67.388
Base-Backbone interact. energy: -0.198
local terms energy: -77.345640
where:
bonds (distance) C4'-P energy: -20.106
bonds (distance) P-C4' energy: -19.246
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -3.213
tors. eta vs tors. theta energy: -18.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -197.994544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.994544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.994544 (E_RNA)
where:
Base-Base interactions energy: -128.065
where: short stacking energy: -69.706
Base-Backbone interact. energy: 1.855
local terms energy: -71.784039
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -16.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -193.729521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.729521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.729521 (E_RNA)
where:
Base-Base interactions energy: -112.441
where: short stacking energy: -50.141
Base-Backbone interact. energy: -0.123
local terms energy: -81.166084
where:
bonds (distance) C4'-P energy: -19.629
bonds (distance) P-C4' energy: -18.026
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -15.545
tors. eta vs tors. theta energy: -12.878
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: 7
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -180.249060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.249060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.249060 (E_RNA)
where:
Base-Base interactions energy: -116.253
where: short stacking energy: -54.821
Base-Backbone interact. energy: -0.652
local terms energy: -63.343376
where:
bonds (distance) C4'-P energy: -14.800
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -12.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -126.113497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.113497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.113497 (E_RNA)
where:
Base-Base interactions energy: -71.110
where: short stacking energy: -37.594
Base-Backbone interact. energy: -0.014
local terms energy: -54.989631
where:
bonds (distance) C4'-P energy: -17.689
bonds (distance) P-C4' energy: -15.521
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -6.061
tors. eta vs tors. theta energy: -3.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -154.840662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.840662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.840662 (E_RNA)
where:
Base-Base interactions energy: -95.786
where: short stacking energy: -47.441
Base-Backbone interact. energy: -0.112
local terms energy: -58.942200
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -7.259
tors. eta vs tors. theta energy: -8.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -101.561278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.561278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.561278 (E_RNA)
where:
Base-Base interactions energy: -46.379
where: short stacking energy: -40.361
Base-Backbone interact. energy: -0.126
local terms energy: -55.056442
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -13.055
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -5.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -99.720417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.720417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.720417 (E_RNA)
where:
Base-Base interactions energy: -40.685
where: short stacking energy: -30.298
Base-Backbone interact. energy: -0.102
local terms energy: -58.934102
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -15.718
flat angles C4'-P-C4' energy: -11.818
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -9.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -236.835200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.835200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.835200 (E_RNA)
where:
Base-Base interactions energy: -152.657
where: short stacking energy: -75.013
Base-Backbone interact. energy: -0.290
local terms energy: -83.888869
where:
bonds (distance) C4'-P energy: -19.022
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -20.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -213.922996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.922996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.922996 (E_RNA)
where:
Base-Base interactions energy: -129.673
where: short stacking energy: -70.039
Base-Backbone interact. energy: -0.057
local terms energy: -84.193359
where:
bonds (distance) C4'-P energy: -16.176
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -21.609
flat angles P-C4'-P energy: -8.523
tors. eta vs tors. theta energy: -21.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -225.770312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.770312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.770312 (E_RNA)
where:
Base-Base interactions energy: -146.505
where: short stacking energy: -76.527
Base-Backbone interact. energy: -0.083
local terms energy: -79.182773
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -19.700
flat angles P-C4'-P energy: -8.637
tors. eta vs tors. theta energy: -19.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -213.480915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.480915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.480915 (E_RNA)
where:
Base-Base interactions energy: -130.316
where: short stacking energy: -71.084
Base-Backbone interact. energy: -0.006
local terms energy: -83.159091
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -18.637
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: -25.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -182.167825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.167825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.167825 (E_RNA)
where:
Base-Base interactions energy: -109.001
where: short stacking energy: -53.767
Base-Backbone interact. energy: -0.003
local terms energy: -73.164390
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -14.691
tors. eta vs tors. theta energy: -16.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -172.400838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.400838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.400838 (E_RNA)
where:
Base-Base interactions energy: -99.879
where: short stacking energy: -54.266
Base-Backbone interact. energy: -0.296
local terms energy: -72.225712
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -13.357
tors. eta vs tors. theta energy: -10.743
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: 166
Temperature: 1.200000
Total energy: -146.922758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.922758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.922758 (E_RNA)
where:
Base-Base interactions energy: -82.776
where: short stacking energy: -49.437
Base-Backbone interact. energy: 0.541
local terms energy: -64.687975
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -16.553
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -8.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -106.262018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.262018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.262018 (E_RNA)
where:
Base-Base interactions energy: -49.823
where: short stacking energy: -46.941
Base-Backbone interact. energy: -0.268
local terms energy: -56.171579
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -13.373
flat angles P-C4'-P energy: -7.026
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: 9, replica: 10
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -88.251821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.251821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.251821 (E_RNA)
where:
Base-Base interactions energy: -28.376
where: short stacking energy: -25.767
Base-Backbone interact. energy: -0.041
local terms energy: -59.835570
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -17.643
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -5.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -101.389277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.389277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.389277 (E_RNA)
where:
Base-Base interactions energy: -47.810
where: short stacking energy: -41.251
Base-Backbone interact. energy: 2.543
local terms energy: -56.123121
where:
bonds (distance) C4'-P energy: -16.428
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -12.268
tors. eta vs tors. theta energy: -1.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -231.663641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.663641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.663641 (E_RNA)
where:
Base-Base interactions energy: -149.801
where: short stacking energy: -69.849
Base-Backbone interact. energy: -0.139
local terms energy: -81.723632
where:
bonds (distance) C4'-P energy: -17.209
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -18.870
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -19.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -233.860861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.860861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.860861 (E_RNA)
where:
Base-Base interactions energy: -145.909
where: short stacking energy: -73.556
Base-Backbone interact. energy: -0.105
local terms energy: -87.846816
where:
bonds (distance) C4'-P energy: -19.133
bonds (distance) P-C4' energy: -20.802
flat angles C4'-P-C4' energy: -17.923
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -20.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -227.837221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.837221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.837221 (E_RNA)
where:
Base-Base interactions energy: -139.889
where: short stacking energy: -70.410
Base-Backbone interact. energy: -1.044
local terms energy: -86.903620
where:
bonds (distance) C4'-P energy: -15.803
bonds (distance) P-C4' energy: -19.663
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -12.538
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: 4, replica: 7
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -220.603190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.603190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.603190 (E_RNA)
where:
Base-Base interactions energy: -136.254
where: short stacking energy: -73.841
Base-Backbone interact. energy: -0.047
local terms energy: -84.302172
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -19.666
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -21.510
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: 5, replica: 5
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -177.404894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.404894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.404894 (E_RNA)
where:
Base-Base interactions energy: -113.732
where: short stacking energy: -52.536
Base-Backbone interact. energy: 0.504
local terms energy: -64.177081
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -18.632
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: -9.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -148.474848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.474848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.474848 (E_RNA)
where:
Base-Base interactions energy: -85.319
where: short stacking energy: -41.071
Base-Backbone interact. energy: -0.185
local terms energy: -62.971232
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -6.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -162.565215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.565215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.565215 (E_RNA)
where:
Base-Base interactions energy: -98.217
where: short stacking energy: -51.838
Base-Backbone interact. energy: -0.118
local terms energy: -64.229748
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -12.235
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -6.999
tors. eta vs tors. theta energy: -11.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -102.910287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.910287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.910287 (E_RNA)
where:
Base-Base interactions energy: -36.661
where: short stacking energy: -35.302
Base-Backbone interact. energy: -0.467
local terms energy: -65.782152
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -18.475
flat angles P-C4'-P energy: -11.025
tors. eta vs tors. theta energy: -5.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -107.579947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.579947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.579947 (E_RNA)
where:
Base-Base interactions energy: -51.618
where: short stacking energy: -46.822
Base-Backbone interact. energy: -0.470
local terms energy: -55.492024
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: 0.687
tors. eta vs tors. theta energy: -9.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -81.855805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.855805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.855805 (E_RNA)
where:
Base-Base interactions energy: -39.449
where: short stacking energy: -36.875
Base-Backbone interact. energy: -0.224
local terms energy: -42.182888
where:
bonds (distance) C4'-P energy: -4.300
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -11.818
flat angles P-C4'-P energy: -7.423
tors. eta vs tors. theta energy: -5.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -243.837095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.837095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.837095 (E_RNA)
where:
Base-Base interactions energy: -164.487
where: short stacking energy: -79.138
Base-Backbone interact. energy: -0.097
local terms energy: -79.253386
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -18.070
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -7.560
tors. eta vs tors. theta energy: -24.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -231.243836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.243836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.243836 (E_RNA)
where:
Base-Base interactions energy: -152.895
where: short stacking energy: -75.112
Base-Backbone interact. energy: -0.272
local terms energy: -78.076861
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -20.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -207.218447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.218447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.218447 (E_RNA)
where:
Base-Base interactions energy: -129.072
where: short stacking energy: -62.485
Base-Backbone interact. energy: -0.129
local terms energy: -78.017803
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -19.926
flat angles P-C4'-P energy: -13.041
tors. eta vs tors. theta energy: -16.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -225.447707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.447707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.447707 (E_RNA)
where:
Base-Base interactions energy: -151.023
where: short stacking energy: -71.746
Base-Backbone interact. energy: -0.155
local terms energy: -74.269288
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -13.277
tors. eta vs tors. theta energy: -12.912
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: 168
Temperature: 1.100000
Total energy: -196.683155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.683155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.683155 (E_RNA)
where:
Base-Base interactions energy: -130.478
where: short stacking energy: -62.367
Base-Backbone interact. energy: -0.033
local terms energy: -66.172018
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -18.255
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -6.559
tors. eta vs tors. theta energy: -11.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -184.580960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.580960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.580960 (E_RNA)
where:
Base-Base interactions energy: -112.185
where: short stacking energy: -47.855
Base-Backbone interact. energy: -0.215
local terms energy: -72.180622
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -19.880
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -10.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -97.268113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.268113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.268113 (E_RNA)
where:
Base-Base interactions energy: -29.202
where: short stacking energy: -29.202
Base-Backbone interact. energy: -0.181
local terms energy: -67.884919
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -17.481
flat angles P-C4'-P energy: -11.628
tors. eta vs tors. theta energy: -8.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -154.625298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.625298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.625298 (E_RNA)
where:
Base-Base interactions energy: -87.388
where: short stacking energy: -40.063
Base-Backbone interact. energy: -0.159
local terms energy: -67.077763
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -18.627
flat angles C4'-P-C4' energy: -11.824
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -8.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -92.836083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.836083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.836083 (E_RNA)
where:
Base-Base interactions energy: -30.512
where: short stacking energy: -30.512
Base-Backbone interact. energy: -0.216
local terms energy: -62.108119
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -17.712
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -4.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -85.757223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.757223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.757223 (E_RNA)
where:
Base-Base interactions energy: -27.467
where: short stacking energy: -27.467
Base-Backbone interact. energy: 0.748
local terms energy: -59.038547
where:
bonds (distance) C4'-P energy: -13.570
bonds (distance) P-C4' energy: -17.098
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -3.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -240.588767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.588767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.588767 (E_RNA)
where:
Base-Base interactions energy: -156.863
where: short stacking energy: -77.824
Base-Backbone interact. energy: -0.110
local terms energy: -83.615270
where:
bonds (distance) C4'-P energy: -19.869
bonds (distance) P-C4' energy: -18.195
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -12.342
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: 8
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -221.058507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.058507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.058507 (E_RNA)
where:
Base-Base interactions energy: -144.615
where: short stacking energy: -68.688
Base-Backbone interact. energy: -0.433
local terms energy: -76.010199
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -7.929
tors. eta vs tors. theta energy: -20.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -200.980603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.980603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.980603 (E_RNA)
where:
Base-Base interactions energy: -125.918
where: short stacking energy: -65.912
Base-Backbone interact. energy: -0.045
local terms energy: -75.017820
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -18.577
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -7.832
tors. eta vs tors. theta energy: -16.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -207.786107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.786107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.786107 (E_RNA)
where:
Base-Base interactions energy: -133.277
where: short stacking energy: -54.837
Base-Backbone interact. energy: -0.095
local terms energy: -74.414234
where:
bonds (distance) C4'-P energy: -17.890
bonds (distance) P-C4' energy: -18.784
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -7.341
tors. eta vs tors. theta energy: -14.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -194.460374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.460374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.460374 (E_RNA)
where:
Base-Base interactions energy: -125.129
where: short stacking energy: -63.735
Base-Backbone interact. energy: -0.139
local terms energy: -69.192367
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -3.771
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: 6, replica: 5
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -174.442110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.442110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.442110 (E_RNA)
where:
Base-Base interactions energy: -105.693
where: short stacking energy: -50.164
Base-Backbone interact. energy: -0.127
local terms energy: -68.621850
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -18.312
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -13.410
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: 7, replica: 10
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -98.854800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.854800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.854800 (E_RNA)
where:
Base-Base interactions energy: -42.596
where: short stacking energy: -42.596
Base-Backbone interact. energy: -0.079
local terms energy: -56.179936
where:
bonds (distance) C4'-P energy: -16.363
bonds (distance) P-C4' energy: -10.617
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -6.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -150.829707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.829707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.829707 (E_RNA)
where:
Base-Base interactions energy: -97.074
where: short stacking energy: -46.117
Base-Backbone interact. energy: 0.026
local terms energy: -53.781534
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -15.922
flat angles C4'-P-C4' energy: -9.329
flat angles P-C4'-P energy: -6.827
tors. eta vs tors. theta energy: -9.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -104.300063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.300063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.300063 (E_RNA)
where:
Base-Base interactions energy: -51.707
where: short stacking energy: -30.318
Base-Backbone interact. energy: 0.339
local terms energy: -52.932171
where:
bonds (distance) C4'-P energy: -15.449
bonds (distance) P-C4' energy: -14.530
flat angles C4'-P-C4' energy: -10.731
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -3.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -81.589799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.589799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.589799 (E_RNA)
where:
Base-Base interactions energy: -32.577
where: short stacking energy: -14.118
Base-Backbone interact. energy: -0.096
local terms energy: -48.917083
where:
bonds (distance) C4'-P energy: -17.142
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: 5.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -250.749699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.749699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.749699 (E_RNA)
where:
Base-Base interactions energy: -169.036
where: short stacking energy: -79.368
Base-Backbone interact. energy: -0.157
local terms energy: -81.556932
where:
bonds (distance) C4'-P energy: -18.186
bonds (distance) P-C4' energy: -18.259
flat angles C4'-P-C4' energy: -18.668
flat angles P-C4'-P energy: -6.227
tors. eta vs tors. theta energy: -20.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -222.730283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.730283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.730283 (E_RNA)
where:
Base-Base interactions energy: -143.083
where: short stacking energy: -72.689
Base-Backbone interact. energy: -0.093
local terms energy: -79.554995
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -12.411
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: 3, replica: 7
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -216.740221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.740221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.740221 (E_RNA)
where:
Base-Base interactions energy: -141.105
where: short stacking energy: -74.700
Base-Backbone interact. energy: 0.418
local terms energy: -76.053207
where:
bonds (distance) C4'-P energy: -13.628
bonds (distance) P-C4' energy: -15.608
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -8.842
tors. eta vs tors. theta energy: -22.976
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: 2
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -203.970410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.970410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.970410 (E_RNA)
where:
Base-Base interactions energy: -125.223
where: short stacking energy: -66.394
Base-Backbone interact. energy: -0.026
local terms energy: -78.721610
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -19.465
flat angles P-C4'-P energy: -11.534
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: 5, replica: 6
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -205.803904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.803904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.803904 (E_RNA)
where:
Base-Base interactions energy: -129.885
where: short stacking energy: -62.040
Base-Backbone interact. energy: -0.177
local terms energy: -75.741942
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -18.403
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -18.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -159.957777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.957777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.957777 (E_RNA)
where:
Base-Base interactions energy: -100.651
where: short stacking energy: -46.827
Base-Backbone interact. energy: -0.158
local terms energy: -59.149445
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -7.295
tors. eta vs tors. theta energy: -9.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -178.763735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.763735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.763735 (E_RNA)
where:
Base-Base interactions energy: -115.450
where: short stacking energy: -57.187
Base-Backbone interact. energy: -0.092
local terms energy: -63.221950
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -15.419
flat angles C4'-P-C4' energy: -10.591
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -13.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -107.676095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.676095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.676095 (E_RNA)
where:
Base-Base interactions energy: -44.232
where: short stacking energy: -44.232
Base-Backbone interact. energy: -0.012
local terms energy: -63.432274
where:
bonds (distance) C4'-P energy: -17.548
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -7.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -109.202791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.202791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.202791 (E_RNA)
where:
Base-Base interactions energy: -50.323
where: short stacking energy: -33.732
Base-Backbone interact. energy: -0.432
local terms energy: -58.448162
where:
bonds (distance) C4'-P energy: -16.914
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -5.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -84.451339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.451339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.451339 (E_RNA)
where:
Base-Base interactions energy: -36.352
where: short stacking energy: -36.352
Base-Backbone interact. energy: -0.028
local terms energy: -48.071770
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -12.963
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -2.648
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: 1, replica: 9
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -245.059837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.059837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.059837 (E_RNA)
where:
Base-Base interactions energy: -157.115
where: short stacking energy: -83.648
Base-Backbone interact. energy: -0.086
local terms energy: -87.859043
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -19.013
flat angles C4'-P-C4' energy: -21.671
flat angles P-C4'-P energy: -11.921
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: 2, replica: 8
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -219.646710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.646710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.646710 (E_RNA)
where:
Base-Base interactions energy: -133.090
where: short stacking energy: -77.624
Base-Backbone interact. energy: -0.031
local terms energy: -86.524753
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -19.070
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -22.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -221.252857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.252857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.252857 (E_RNA)
where:
Base-Base interactions energy: -137.578
where: short stacking energy: -76.362
Base-Backbone interact. energy: -0.246
local terms energy: -83.428529
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -12.775
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: 4, replica: 6
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -215.360998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.360998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.360998 (E_RNA)
where:
Base-Base interactions energy: -145.002
where: short stacking energy: -63.330
Base-Backbone interact. energy: -0.011
local terms energy: -70.347290
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -7.224
tors. eta vs tors. theta energy: -17.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -201.960490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.960490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.960490 (E_RNA)
where:
Base-Base interactions energy: -124.204
where: short stacking energy: -66.957
Base-Backbone interact. energy: -1.074
local terms energy: -76.682706
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -17.661
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -13.836
tors. eta vs tors. theta energy: -13.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -179.146132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.146132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.146132 (E_RNA)
where:
Base-Base interactions energy: -110.992
where: short stacking energy: -63.493
Base-Backbone interact. energy: -0.232
local terms energy: -67.921862
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -11.819
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -12.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -185.314093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.314093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.314093 (E_RNA)
where:
Base-Base interactions energy: -113.400
where: short stacking energy: -61.081
Base-Backbone interact. energy: -0.276
local terms energy: -71.637701
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -18.926
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -14.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -96.920472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.920472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.920472 (E_RNA)
where:
Base-Base interactions energy: -40.697
where: short stacking energy: -21.103
Base-Backbone interact. energy: -0.353
local terms energy: -55.869861
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: 2.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -100.582743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.582743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.582743 (E_RNA)
where:
Base-Base interactions energy: -43.894
where: short stacking energy: -43.894
Base-Backbone interact. energy: -0.050
local terms energy: -56.638928
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -7.928
tors. eta vs tors. theta energy: -4.606
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: 1
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -88.112236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.112236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.112236 (E_RNA)
where:
Base-Base interactions energy: -36.073
where: short stacking energy: -24.178
Base-Backbone interact. energy: 0.826
local terms energy: -52.865679
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -2.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -232.670128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.670128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.670128 (E_RNA)
where:
Base-Base interactions energy: -145.982
where: short stacking energy: -72.286
Base-Backbone interact. energy: -0.241
local terms energy: -86.447252
where:
bonds (distance) C4'-P energy: -20.172
bonds (distance) P-C4' energy: -17.096
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -16.155
tors. eta vs tors. theta energy: -17.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -219.762646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.762646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.762646 (E_RNA)
where:
Base-Base interactions energy: -135.930
where: short stacking energy: -75.205
Base-Backbone interact. energy: -0.216
local terms energy: -83.616405
where:
bonds (distance) C4'-P energy: -17.680
bonds (distance) P-C4' energy: -16.856
flat angles C4'-P-C4' energy: -18.326
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -20.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -226.293836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.293836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.293836 (E_RNA)
where:
Base-Base interactions energy: -144.395
where: short stacking energy: -75.669
Base-Backbone interact. energy: -0.097
local terms energy: -81.801863
where:
bonds (distance) C4'-P energy: -15.851
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -9.439
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: 4, replica: 6
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -200.457968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.457968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.457968 (E_RNA)
where:
Base-Base interactions energy: -121.857
where: short stacking energy: -61.981
Base-Backbone interact. energy: -0.585
local terms energy: -78.016219
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -16.518
flat angles C4'-P-C4' energy: -19.356
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -18.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -194.738307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.738307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.738307 (E_RNA)
where:
Base-Base interactions energy: -116.475
where: short stacking energy: -66.670
Base-Backbone interact. energy: -0.130
local terms energy: -78.132810
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -17.402
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -13.660
tors. eta vs tors. theta energy: -17.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -171.719752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.719752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.719752 (E_RNA)
where:
Base-Base interactions energy: -97.526
where: short stacking energy: -54.991
Base-Backbone interact. energy: -0.129
local terms energy: -74.064938
where:
bonds (distance) C4'-P energy: -17.053
bonds (distance) P-C4' energy: -19.246
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -14.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -197.928700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.928700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.928700 (E_RNA)
where:
Base-Base interactions energy: -129.483
where: short stacking energy: -63.499
Base-Backbone interact. energy: -0.009
local terms energy: -68.436194
where:
bonds (distance) C4'-P energy: -18.313
bonds (distance) P-C4' energy: -9.956
flat angles C4'-P-C4' energy: -13.310
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -16.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -109.467633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.467633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.467633 (E_RNA)
where:
Base-Base interactions energy: -45.246
where: short stacking energy: -33.239
Base-Backbone interact. energy: -0.050
local terms energy: -64.171154
where:
bonds (distance) C4'-P energy: -17.448
bonds (distance) P-C4' energy: -17.643
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -7.073
tors. eta vs tors. theta energy: -8.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -85.561596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.561596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.561596 (E_RNA)
where:
Base-Base interactions energy: -39.736
where: short stacking energy: -23.092
Base-Backbone interact. energy: -0.269
local terms energy: -45.556393
where:
bonds (distance) C4'-P energy: -18.989
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -10.252
flat angles P-C4'-P energy: -2.911
tors. eta vs tors. theta energy: 0.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -87.161416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.161416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.161416 (E_RNA)
where:
Base-Base interactions energy: -26.162
where: short stacking energy: -27.162
Base-Backbone interact. energy: 1.041
local terms energy: -62.040141
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -2.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -230.701495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.701495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.701495 (E_RNA)
where:
Base-Base interactions energy: -149.864
where: short stacking energy: -73.043
Base-Backbone interact. energy: -0.104
local terms energy: -80.733614
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -18.770
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -20.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -225.889980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.889980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.889980 (E_RNA)
where:
Base-Base interactions energy: -144.461
where: short stacking energy: -72.989
Base-Backbone interact. energy: -0.104
local terms energy: -81.324358
where:
bonds (distance) C4'-P energy: -16.608
bonds (distance) P-C4' energy: -19.035
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -17.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -215.881052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.881052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.881052 (E_RNA)
where:
Base-Base interactions energy: -131.457
where: short stacking energy: -61.787
Base-Backbone interact. energy: -0.166
local terms energy: -84.258506
where:
bonds (distance) C4'-P energy: -19.602
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -16.983
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -20.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -198.787583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.787583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.787583 (E_RNA)
where:
Base-Base interactions energy: -121.373
where: short stacking energy: -59.294
Base-Backbone interact. energy: -0.044
local terms energy: -77.369908
where:
bonds (distance) C4'-P energy: -18.355
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -17.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -196.865462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.865462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.865462 (E_RNA)
where:
Base-Base interactions energy: -122.693
where: short stacking energy: -69.773
Base-Backbone interact. energy: 0.665
local terms energy: -74.838334
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -19.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -183.738083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.738083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.738083 (E_RNA)
where:
Base-Base interactions energy: -113.240
where: short stacking energy: -52.587
Base-Backbone interact. energy: -0.112
local terms energy: -70.385678
where:
bonds (distance) C4'-P energy: -17.179
bonds (distance) P-C4' energy: -13.493
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -13.452
tors. eta vs tors. theta energy: -11.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -155.490362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.490362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.490362 (E_RNA)
where:
Base-Base interactions energy: -94.468
where: short stacking energy: -44.106
Base-Backbone interact. energy: -0.752
local terms energy: -60.269844
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -9.264
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -10.323
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: 173
Temperature: 1.250000
Total energy: -99.055505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.055505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.055505 (E_RNA)
where:
Base-Base interactions energy: -32.083
where: short stacking energy: -32.083
Base-Backbone interact. energy: -0.037
local terms energy: -66.935297
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -17.358
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -5.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -94.549659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.549659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.549659 (E_RNA)
where:
Base-Base interactions energy: -35.643
where: short stacking energy: -34.878
Base-Backbone interact. energy: -0.111
local terms energy: -58.795921
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -6.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -83.640148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.640148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.640148 (E_RNA)
where:
Base-Base interactions energy: -27.599
where: short stacking energy: -24.832
Base-Backbone interact. energy: -0.111
local terms energy: -55.929700
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -6.796
tors. eta vs tors. theta energy: -1.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -220.701926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.701926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.701926 (E_RNA)
where:
Base-Base interactions energy: -136.868
where: short stacking energy: -61.618
Base-Backbone interact. energy: -0.166
local terms energy: -83.668408
where:
bonds (distance) C4'-P energy: -19.307
bonds (distance) P-C4' energy: -18.740
flat angles C4'-P-C4' energy: -17.374
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -14.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -231.260263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.260263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.260263 (E_RNA)
where:
Base-Base interactions energy: -143.585
where: short stacking energy: -74.485
Base-Backbone interact. energy: -0.119
local terms energy: -87.555925
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -19.162
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -13.992
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: 8
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -217.668711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.668711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.668711 (E_RNA)
where:
Base-Base interactions energy: -131.848
where: short stacking energy: -80.214
Base-Backbone interact. energy: -0.350
local terms energy: -85.470830
where:
bonds (distance) C4'-P energy: -17.763
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: -24.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -202.387746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.387746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.387746 (E_RNA)
where:
Base-Base interactions energy: -131.473
where: short stacking energy: -62.782
Base-Backbone interact. energy: -0.108
local terms energy: -70.806749
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: -17.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -196.224483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.224483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.224483 (E_RNA)
where:
Base-Base interactions energy: -121.544
where: short stacking energy: -62.896
Base-Backbone interact. energy: -0.060
local terms energy: -74.620142
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -13.568
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -22.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -194.732847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.732847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.732847 (E_RNA)
where:
Base-Base interactions energy: -117.083
where: short stacking energy: -64.580
Base-Backbone interact. energy: -0.019
local terms energy: -77.630869
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -17.651
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -19.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -165.319508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.319508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.319508 (E_RNA)
where:
Base-Base interactions energy: -97.127
where: short stacking energy: -52.009
Base-Backbone interact. energy: -0.047
local terms energy: -68.145754
where:
bonds (distance) C4'-P energy: -18.056
bonds (distance) P-C4' energy: -16.824
flat angles C4'-P-C4' energy: -18.394
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -4.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -100.425990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.425990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.425990 (E_RNA)
where:
Base-Base interactions energy: -29.780
where: short stacking energy: -28.885
Base-Backbone interact. energy: -0.090
local terms energy: -70.556946
where:
bonds (distance) C4'-P energy: -18.623
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -18.178
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -5.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -89.834423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.834423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.834423 (E_RNA)
where:
Base-Base interactions energy: -25.370
where: short stacking energy: -25.370
Base-Backbone interact. energy: -0.196
local terms energy: -64.268159
where:
bonds (distance) C4'-P energy: -17.617
bonds (distance) P-C4' energy: -13.809
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -6.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -84.726907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.726907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.726907 (E_RNA)
where:
Base-Base interactions energy: -27.667
where: short stacking energy: -25.116
Base-Backbone interact. energy: -0.101
local terms energy: -56.959107
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -11.152
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -4.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -225.930886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.930886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.930886 (E_RNA)
where:
Base-Base interactions energy: -144.720
where: short stacking energy: -73.008
Base-Backbone interact. energy: -0.307
local terms energy: -80.904474
where:
bonds (distance) C4'-P energy: -18.532
bonds (distance) P-C4' energy: -19.080
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -7.595
tors. eta vs tors. theta energy: -21.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -224.944025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.944025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.944025 (E_RNA)
where:
Base-Base interactions energy: -137.376
where: short stacking energy: -77.861
Base-Backbone interact. energy: -0.004
local terms energy: -87.563090
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -18.882
flat angles P-C4'-P energy: -12.845
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: 3, replica: 9
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -221.318065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.318065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.318065 (E_RNA)
where:
Base-Base interactions energy: -135.254
where: short stacking energy: -73.818
Base-Backbone interact. energy: -0.189
local terms energy: -85.875073
where:
bonds (distance) C4'-P energy: -17.667
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: -24.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -215.458803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.458803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.458803 (E_RNA)
where:
Base-Base interactions energy: -141.459
where: short stacking energy: -69.349
Base-Backbone interact. energy: -0.089
local terms energy: -73.910348
where:
bonds (distance) C4'-P energy: -10.069
bonds (distance) P-C4' energy: -17.301
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -13.093
tors. eta vs tors. theta energy: -16.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -204.985278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.985278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.985278 (E_RNA)
where:
Base-Base interactions energy: -133.845
where: short stacking energy: -70.567
Base-Backbone interact. energy: -0.220
local terms energy: -70.919338
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -16.855
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -15.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -204.818406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.818406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.818406 (E_RNA)
where:
Base-Base interactions energy: -132.208
where: short stacking energy: -60.977
Base-Backbone interact. energy: -0.063
local terms energy: -72.547351
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -6.194
tors. eta vs tors. theta energy: -17.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -156.357310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.357310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.357310 (E_RNA)
where:
Base-Base interactions energy: -86.279
where: short stacking energy: -47.121
Base-Backbone interact. energy: -0.067
local terms energy: -70.011380
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -17.303
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -11.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -94.164309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.164309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.164309 (E_RNA)
where:
Base-Base interactions energy: -25.311
where: short stacking energy: -25.311
Base-Backbone interact. energy: 0.499
local terms energy: -69.353127
where:
bonds (distance) C4'-P energy: -18.856
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -6.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -98.944209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.944209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.944209 (E_RNA)
where:
Base-Base interactions energy: -45.123
where: short stacking energy: -35.210
Base-Backbone interact. energy: -0.132
local terms energy: -53.688823
where:
bonds (distance) C4'-P energy: -10.187
bonds (distance) P-C4' energy: -18.691
flat angles C4'-P-C4' energy: -10.739
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -3.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -85.348608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.348608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.348608 (E_RNA)
where:
Base-Base interactions energy: -29.578
where: short stacking energy: -25.541
Base-Backbone interact. energy: -0.018
local terms energy: -55.752680
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -7.123
tors. eta vs tors. theta energy: -4.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -221.220861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.220861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.220861 (E_RNA)
where:
Base-Base interactions energy: -144.558
where: short stacking energy: -64.192
Base-Backbone interact. energy: -0.330
local terms energy: -76.333702
where:
bonds (distance) C4'-P energy: -17.908
bonds (distance) P-C4' energy: -16.512
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -14.350
tors. eta vs tors. theta energy: -15.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -210.684409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.684409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.684409 (E_RNA)
where:
Base-Base interactions energy: -126.635
where: short stacking energy: -74.823
Base-Backbone interact. energy: -0.053
local terms energy: -83.996980
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -18.736
flat angles C4'-P-C4' energy: -18.168
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -22.378
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: 2
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -213.911830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.911830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.911830 (E_RNA)
where:
Base-Base interactions energy: -132.094
where: short stacking energy: -77.353
Base-Backbone interact. energy: -0.142
local terms energy: -81.675092
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -18.089
flat angles P-C4'-P energy: -13.226
tors. eta vs tors. theta energy: -19.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -207.563293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.563293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.563293 (E_RNA)
where:
Base-Base interactions energy: -127.260
where: short stacking energy: -70.944
Base-Backbone interact. energy: -0.122
local terms energy: -80.180827
where:
bonds (distance) C4'-P energy: -15.573
bonds (distance) P-C4' energy: -17.217
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -9.242
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: 176
Temperature: 1.100000
Total energy: -200.023130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.023130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.023130 (E_RNA)
where:
Base-Base interactions energy: -128.036
where: short stacking energy: -64.991
Base-Backbone interact. energy: -0.049
local terms energy: -71.937947
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -13.910
flat angles C4'-P-C4' energy: -18.269
flat angles P-C4'-P energy: -7.627
tors. eta vs tors. theta energy: -20.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -186.693803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.693803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.693803 (E_RNA)
where:
Base-Base interactions energy: -109.337
where: short stacking energy: -59.827
Base-Backbone interact. energy: 1.448
local terms energy: -78.804973
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -20.634
flat angles C4'-P-C4' energy: -18.790
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -16.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -174.860592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.860592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.860592 (E_RNA)
where:
Base-Base interactions energy: -109.350
where: short stacking energy: -54.090
Base-Backbone interact. energy: -0.269
local terms energy: -65.241650
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -14.118
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -9.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -103.810236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.810236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.810236 (E_RNA)
where:
Base-Base interactions energy: -46.207
where: short stacking energy: -36.945
Base-Backbone interact. energy: 0.303
local terms energy: -57.906195
where:
bonds (distance) C4'-P energy: -18.669
bonds (distance) P-C4' energy: -14.999
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -8.438
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: 9, replica: 10
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -94.888216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.888216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.888216 (E_RNA)
where:
Base-Base interactions energy: -42.405
where: short stacking energy: -35.288
Base-Backbone interact. energy: 0.447
local terms energy: -52.930203
where:
bonds (distance) C4'-P energy: -10.295
bonds (distance) P-C4' energy: -19.492
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -2.258
tors. eta vs tors. theta energy: -3.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -87.460426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.460426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.460426 (E_RNA)
where:
Base-Base interactions energy: -37.840
where: short stacking energy: -23.511
Base-Backbone interact. energy: 0.691
local terms energy: -50.312068
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -5.529
tors. eta vs tors. theta energy: -1.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -221.138274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.138274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.138274 (E_RNA)
where:
Base-Base interactions energy: -139.344
where: short stacking energy: -62.604
Base-Backbone interact. energy: -0.139
local terms energy: -81.654665
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -20.324
flat angles C4'-P-C4' energy: -18.065
flat angles P-C4'-P energy: -10.979
tors. eta vs tors. theta energy: -17.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -220.007391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.007391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.007391 (E_RNA)
where:
Base-Base interactions energy: -143.787
where: short stacking energy: -69.518
Base-Backbone interact. energy: -0.087
local terms energy: -76.133900
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -17.429
flat angles P-C4'-P energy: -15.442
tors. eta vs tors. theta energy: -16.848
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: 8
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -218.549393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.549393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.549393 (E_RNA)
where:
Base-Base interactions energy: -141.503
where: short stacking energy: -69.146
Base-Backbone interact. energy: -0.326
local terms energy: -76.721300
where:
bonds (distance) C4'-P energy: -10.879
bonds (distance) P-C4' energy: -17.288
flat angles C4'-P-C4' energy: -20.039
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -18.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -201.180266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.180266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.180266 (E_RNA)
where:
Base-Base interactions energy: -118.387
where: short stacking energy: -63.473
Base-Backbone interact. energy: -0.006
local terms energy: -82.787197
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -17.946
flat angles P-C4'-P energy: -15.041
tors. eta vs tors. theta energy: -15.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -203.770561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.770561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.770561 (E_RNA)
where:
Base-Base interactions energy: -133.169
where: short stacking energy: -61.333
Base-Backbone interact. energy: -0.452
local terms energy: -70.149634
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -14.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -183.953127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.953127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.953127 (E_RNA)
where:
Base-Base interactions energy: -115.328
where: short stacking energy: -51.968
Base-Backbone interact. energy: -0.313
local terms energy: -68.311588
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -17.424
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -12.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -172.322504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.322504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.322504 (E_RNA)
where:
Base-Base interactions energy: -105.878
where: short stacking energy: -54.057
Base-Backbone interact. energy: -0.105
local terms energy: -66.339974
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -12.286
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: 10
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -142.937486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.937486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.937486 (E_RNA)
where:
Base-Base interactions energy: -85.087
where: short stacking energy: -45.515
Base-Backbone interact. energy: -0.301
local terms energy: -57.548523
where:
bonds (distance) C4'-P energy: -12.051
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -9.561
flat angles P-C4'-P energy: -7.574
tors. eta vs tors. theta energy: -13.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -89.828744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.828744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.828744 (E_RNA)
where:
Base-Base interactions energy: -40.314
where: short stacking energy: -24.345
Base-Backbone interact. energy: -0.530
local terms energy: -48.984039
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -5.843
tors. eta vs tors. theta energy: -3.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -87.728574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.728574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.728574 (E_RNA)
where:
Base-Base interactions energy: -26.996
where: short stacking energy: -23.850
Base-Backbone interact. energy: -0.196
local terms energy: -60.536242
where:
bonds (distance) C4'-P energy: -17.775
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -7.059
tors. eta vs tors. theta energy: -5.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -220.686243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.686243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.686243 (E_RNA)
where:
Base-Base interactions energy: -136.855
where: short stacking energy: -73.460
Base-Backbone interact. energy: 0.378
local terms energy: -84.208853
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -19.746
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -22.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -227.560919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.560919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.560919 (E_RNA)
where:
Base-Base interactions energy: -150.397
where: short stacking energy: -80.713
Base-Backbone interact. energy: -0.137
local terms energy: -77.026670
where:
bonds (distance) C4'-P energy: -19.129
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -17.336
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -16.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -204.544661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.544661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.544661 (E_RNA)
where:
Base-Base interactions energy: -121.039
where: short stacking energy: -64.102
Base-Backbone interact. energy: -0.124
local terms energy: -83.382040
where:
bonds (distance) C4'-P energy: -16.946
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -20.188
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -17.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -187.530054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.530054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.530054 (E_RNA)
where:
Base-Base interactions energy: -117.314
where: short stacking energy: -54.325
Base-Backbone interact. energy: -0.083
local terms energy: -70.133427
where:
bonds (distance) C4'-P energy: -16.705
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -9.301
flat angles P-C4'-P energy: -9.369
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: 9
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -200.542334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.542334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.542334 (E_RNA)
where:
Base-Base interactions energy: -129.054
where: short stacking energy: -70.317
Base-Backbone interact. energy: -0.648
local terms energy: -70.839929
where:
bonds (distance) C4'-P energy: -11.371
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -18.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -156.806897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.806897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.806897 (E_RNA)
where:
Base-Base interactions energy: -95.346
where: short stacking energy: -40.148
Base-Backbone interact. energy: -0.272
local terms energy: -61.189593
where:
bonds (distance) C4'-P energy: -18.057
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -16.937
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -0.508
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: 3
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -181.219055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.219055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.219055 (E_RNA)
where:
Base-Base interactions energy: -115.988
where: short stacking energy: -65.386
Base-Backbone interact. energy: -0.110
local terms energy: -65.120500
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -7.118
tors. eta vs tors. theta energy: -14.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -157.464245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.464245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.464245 (E_RNA)
where:
Base-Base interactions energy: -102.875
where: short stacking energy: -44.317
Base-Backbone interact. energy: 2.241
local terms energy: -56.830345
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -11.664
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -4.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -98.858802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.858802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.858802 (E_RNA)
where:
Base-Base interactions energy: -37.791
where: short stacking energy: -37.791
Base-Backbone interact. energy: -0.167
local terms energy: -60.900810
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -12.951
tors. eta vs tors. theta energy: -3.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -81.768577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.768577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.768577 (E_RNA)
where:
Base-Base interactions energy: -27.969
where: short stacking energy: -26.154
Base-Backbone interact. energy: -0.145
local terms energy: -53.654496
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -11.738
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -7.282
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: 1, replica: 2
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -226.543760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.543760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.543760 (E_RNA)
where:
Base-Base interactions energy: -152.832
where: short stacking energy: -68.932
Base-Backbone interact. energy: -0.092
local terms energy: -73.618963
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -13.494
tors. eta vs tors. theta energy: -16.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -218.591992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.591992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.591992 (E_RNA)
where:
Base-Base interactions energy: -140.191
where: short stacking energy: -66.957
Base-Backbone interact. energy: -0.047
local terms energy: -78.353939
where:
bonds (distance) C4'-P energy: -18.115
bonds (distance) P-C4' energy: -18.918
flat angles C4'-P-C4' energy: -15.158
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -17.069
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: 8
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -218.827903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.827903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.827903 (E_RNA)
where:
Base-Base interactions energy: -134.116
where: short stacking energy: -71.547
Base-Backbone interact. energy: -0.051
local terms energy: -84.660906
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -17.539
flat angles C4'-P-C4' energy: -20.187
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -20.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -205.604502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.604502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.604502 (E_RNA)
where:
Base-Base interactions energy: -132.306
where: short stacking energy: -67.243
Base-Backbone interact. energy: 0.001
local terms energy: -73.299733
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -18.742
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -18.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -181.818345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.818345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.818345 (E_RNA)
where:
Base-Base interactions energy: -104.184
where: short stacking energy: -55.920
Base-Backbone interact. energy: -0.149
local terms energy: -77.485600
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -11.483
tors. eta vs tors. theta energy: -15.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -153.519329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.519329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.519329 (E_RNA)
where:
Base-Base interactions energy: -84.886
where: short stacking energy: -52.401
Base-Backbone interact. energy: 0.382
local terms energy: -69.015982
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -18.009
flat angles P-C4'-P energy: -13.585
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: 7, replica: 6
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -134.400615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.400615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.400615 (E_RNA)
where:
Base-Base interactions energy: -80.749
where: short stacking energy: -49.121
Base-Backbone interact. energy: -0.091
local terms energy: -53.560234
where:
bonds (distance) C4'-P energy: -17.298
bonds (distance) P-C4' energy: -14.055
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -5.371
tors. eta vs tors. theta energy: -3.281
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: 4
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -104.344082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.344082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.344082 (E_RNA)
where:
Base-Base interactions energy: -36.371
where: short stacking energy: -36.371
Base-Backbone interact. energy: -0.170
local terms energy: -67.802485
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -6.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -143.518540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.518540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.518540 (E_RNA)
where:
Base-Base interactions energy: -81.396
where: short stacking energy: -38.944
Base-Backbone interact. energy: -0.023
local terms energy: -62.099074
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -20.129
flat angles C4'-P-C4' energy: -15.174
flat angles P-C4'-P energy: -5.735
tors. eta vs tors. theta energy: -6.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -81.955652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.955652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.955652 (E_RNA)
where:
Base-Base interactions energy: -35.584
where: short stacking energy: -24.219
Base-Backbone interact. energy: -0.346
local terms energy: -46.025844
where:
bonds (distance) C4'-P energy: -9.727
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: 2.743
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: 7
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -220.341028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.341028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.341028 (E_RNA)
where:
Base-Base interactions energy: -134.677
where: short stacking energy: -70.525
Base-Backbone interact. energy: -0.053
local terms energy: -85.611473
where:
bonds (distance) C4'-P energy: -18.197
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -19.947
flat angles P-C4'-P energy: -8.796
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: 2
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -226.148099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.148099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.148099 (E_RNA)
where:
Base-Base interactions energy: -142.670
where: short stacking energy: -73.844
Base-Backbone interact. energy: -0.224
local terms energy: -83.254166
where:
bonds (distance) C4'-P energy: -18.020
bonds (distance) P-C4' energy: -12.536
flat angles C4'-P-C4' energy: -19.144
flat angles P-C4'-P energy: -11.213
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: 3, replica: 9
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -218.138450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.138450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.138450 (E_RNA)
where:
Base-Base interactions energy: -129.083
where: short stacking energy: -77.497
Base-Backbone interact. energy: -0.468
local terms energy: -88.587693
where:
bonds (distance) C4'-P energy: -11.889
bonds (distance) P-C4' energy: -19.873
flat angles C4'-P-C4' energy: -17.960
flat angles P-C4'-P energy: -15.269
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: 4, replica: 8
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -214.198548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.198548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.198548 (E_RNA)
where:
Base-Base interactions energy: -135.279
where: short stacking energy: -66.981
Base-Backbone interact. energy: -1.186
local terms energy: -77.733242
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -13.622
flat angles C4'-P-C4' energy: -19.161
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -18.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -183.872719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.872719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.872719 (E_RNA)
where:
Base-Base interactions energy: -112.339
where: short stacking energy: -56.534
Base-Backbone interact. energy: -0.115
local terms energy: -71.418692
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -16.993
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -15.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -179.290901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.290901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.290901 (E_RNA)
where:
Base-Base interactions energy: -105.544
where: short stacking energy: -56.343
Base-Backbone interact. energy: -0.270
local terms energy: -73.476312
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -12.030
flat angles P-C4'-P energy: -13.424
tors. eta vs tors. theta energy: -14.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -101.907614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.907614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.907614 (E_RNA)
where:
Base-Base interactions energy: -47.899
where: short stacking energy: -41.145
Base-Backbone interact. energy: -0.370
local terms energy: -53.638858
where:
bonds (distance) C4'-P energy: -10.317
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -16.537
flat angles P-C4'-P energy: -2.998
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: 6
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -150.937872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.937872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.937872 (E_RNA)
where:
Base-Base interactions energy: -87.734
where: short stacking energy: -54.225
Base-Backbone interact. energy: -0.198
local terms energy: -63.005959
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -11.660
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -12.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -148.878397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.878397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.878397 (E_RNA)
where:
Base-Base interactions energy: -87.184
where: short stacking energy: -43.924
Base-Backbone interact. energy: -0.018
local terms energy: -61.676015
where:
bonds (distance) C4'-P energy: -11.956
bonds (distance) P-C4' energy: -17.032
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -7.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -86.351026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.351026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.351026 (E_RNA)
where:
Base-Base interactions energy: -39.991
where: short stacking energy: -33.649
Base-Backbone interact. energy: -0.513
local terms energy: -45.846967
where:
bonds (distance) C4'-P energy: -9.056
bonds (distance) P-C4' energy: -19.733
flat angles C4'-P-C4' energy: -6.406
flat angles P-C4'-P energy: -6.730
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: 1, replica: 7
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -226.741614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.741614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.741614 (E_RNA)
where:
Base-Base interactions energy: -143.697
where: short stacking energy: -74.167
Base-Backbone interact. energy: -0.073
local terms energy: -82.971674
where:
bonds (distance) C4'-P energy: -19.137
bonds (distance) P-C4' energy: -19.062
flat angles C4'-P-C4' energy: -11.943
flat angles P-C4'-P energy: -12.186
tors. eta vs tors. theta energy: -20.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -215.634101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.634101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.634101 (E_RNA)
where:
Base-Base interactions energy: -131.332
where: short stacking energy: -77.671
Base-Backbone interact. energy: -0.024
local terms energy: -84.278085
where:
bonds (distance) C4'-P energy: -15.959
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -12.894
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: 3, replica: 9
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -214.662069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.662069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.662069 (E_RNA)
where:
Base-Base interactions energy: -131.184
where: short stacking energy: -75.233
Base-Backbone interact. energy: -0.128
local terms energy: -83.350651
where:
bonds (distance) C4'-P energy: -16.810
bonds (distance) P-C4' energy: -16.018
flat angles C4'-P-C4' energy: -18.951
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -22.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -223.518204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.518204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.518204 (E_RNA)
where:
Base-Base interactions energy: -143.529
where: short stacking energy: -70.161
Base-Backbone interact. energy: -0.162
local terms energy: -79.827053
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -19.181
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -13.533
tors. eta vs tors. theta energy: -16.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -185.164592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.164592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.164592 (E_RNA)
where:
Base-Base interactions energy: -108.919
where: short stacking energy: -58.583
Base-Backbone interact. energy: -0.165
local terms energy: -76.081229
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -12.045
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: 6, replica: 4
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -116.922690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.922690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.922690 (E_RNA)
where:
Base-Base interactions energy: -49.325
where: short stacking energy: -49.082
Base-Backbone interact. energy: -0.096
local terms energy: -67.501343
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -12.632
tors. eta vs tors. theta energy: -9.651
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: 7, replica: 5
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -171.669637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.669637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.669637 (E_RNA)
where:
Base-Base interactions energy: -102.792
where: short stacking energy: -52.931
Base-Backbone interact. energy: -0.150
local terms energy: -68.727937
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -12.120
tors. eta vs tors. theta energy: -10.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -160.820573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.820573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.820573 (E_RNA)
where:
Base-Base interactions energy: -97.173
where: short stacking energy: -39.884
Base-Backbone interact. energy: -0.183
local terms energy: -63.464935
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -12.515
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -9.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -92.616891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.616891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.616891 (E_RNA)
where:
Base-Base interactions energy: -37.492
where: short stacking energy: -27.329
Base-Backbone interact. energy: 1.451
local terms energy: -56.575913
where:
bonds (distance) C4'-P energy: -19.816
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: 0.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -84.131273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.131273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.131273 (E_RNA)
where:
Base-Base interactions energy: -26.829
where: short stacking energy: -19.517
Base-Backbone interact. energy: -0.214
local terms energy: -57.088547
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -19.124
flat angles C4'-P-C4' energy: -11.827
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -2.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -223.314774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.314774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.314774 (E_RNA)
where:
Base-Base interactions energy: -143.272
where: short stacking energy: -75.027
Base-Backbone interact. energy: -0.228
local terms energy: -79.814010
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -20.144
flat angles P-C4'-P energy: -6.351
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: 2, replica: 2
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -231.968272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.968272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.968272 (E_RNA)
where:
Base-Base interactions energy: -148.875
where: short stacking energy: -76.056
Base-Backbone interact. energy: -0.555
local terms energy: -82.538102
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -20.642
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -18.621
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: 8
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -223.565549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.565549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.565549 (E_RNA)
where:
Base-Base interactions energy: -139.475
where: short stacking energy: -71.237
Base-Backbone interact. energy: -0.132
local terms energy: -83.958010
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -20.609
flat angles C4'-P-C4' energy: -19.327
flat angles P-C4'-P energy: -9.783
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: 4, replica: 9
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -224.542671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.542671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.542671 (E_RNA)
where:
Base-Base interactions energy: -135.581
where: short stacking energy: -78.619
Base-Backbone interact. energy: 0.469
local terms energy: -89.431172
where:
bonds (distance) C4'-P energy: -19.468
bonds (distance) P-C4' energy: -17.873
flat angles C4'-P-C4' energy: -19.219
flat angles P-C4'-P energy: -11.626
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: 5, replica: 3
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -210.762529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.762529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.762529 (E_RNA)
where:
Base-Base interactions energy: -130.011
where: short stacking energy: -73.359
Base-Backbone interact. energy: -0.081
local terms energy: -80.670292
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -17.164
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -13.480
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: 6, replica: 4
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -122.837733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.837733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.837733 (E_RNA)
where:
Base-Base interactions energy: -54.582
where: short stacking energy: -45.046
Base-Backbone interact. energy: -2.886
local terms energy: -65.369105
where:
bonds (distance) C4'-P energy: -12.734
bonds (distance) P-C4' energy: -18.794
flat angles C4'-P-C4' energy: -18.225
flat angles P-C4'-P energy: -4.916
tors. eta vs tors. theta energy: -10.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -160.169384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.169384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.169384 (E_RNA)
where:
Base-Base interactions energy: -94.901
where: short stacking energy: -51.362
Base-Backbone interact. energy: 0.098
local terms energy: -65.366314
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -18.755
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -6.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -154.199038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.199038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.199038 (E_RNA)
where:
Base-Base interactions energy: -96.179
where: short stacking energy: -47.929
Base-Backbone interact. energy: -0.288
local terms energy: -57.731323
where:
bonds (distance) C4'-P energy: -7.153
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -9.338
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: 9, replica: 1
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -95.713903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.713903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.713903 (E_RNA)
where:
Base-Base interactions energy: -43.337
where: short stacking energy: -30.470
Base-Backbone interact. energy: -0.274
local terms energy: -52.102448
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -5.809
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -3.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -84.703359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.703359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.703359 (E_RNA)
where:
Base-Base interactions energy: -22.914
where: short stacking energy: -20.411
Base-Backbone interact. energy: 1.778
local terms energy: -63.567818
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -20.060
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -12.443
tors. eta vs tors. theta energy: -2.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -218.524733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.524733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.524733 (E_RNA)
where:
Base-Base interactions energy: -135.623
where: short stacking energy: -69.652
Base-Backbone interact. energy: 0.178
local terms energy: -83.079531
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -17.272
flat angles C4'-P-C4' energy: -17.374
flat angles P-C4'-P energy: -13.603
tors. eta vs tors. theta energy: -19.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -231.203634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.203634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.203634 (E_RNA)
where:
Base-Base interactions energy: -155.109
where: short stacking energy: -73.075
Base-Backbone interact. energy: -0.148
local terms energy: -75.946410
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -16.687
flat angles C4'-P-C4' energy: -18.352
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -16.507
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: 8
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -227.250347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.250347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.250347 (E_RNA)
where:
Base-Base interactions energy: -149.043
where: short stacking energy: -64.431
Base-Backbone interact. energy: -0.100
local terms energy: -78.107063
where:
bonds (distance) C4'-P energy: -17.236
bonds (distance) P-C4' energy: -19.070
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -16.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -202.399128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.399128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.399128 (E_RNA)
where:
Base-Base interactions energy: -120.645
where: short stacking energy: -67.846
Base-Backbone interact. energy: -0.175
local terms energy: -81.578802
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -17.253
flat angles C4'-P-C4' energy: -18.839
flat angles P-C4'-P energy: -14.308
tors. eta vs tors. theta energy: -19.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -199.621739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.621739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.621739 (E_RNA)
where:
Base-Base interactions energy: -116.753
where: short stacking energy: -62.773
Base-Backbone interact. energy: -0.060
local terms energy: -82.808748
where:
bonds (distance) C4'-P energy: -19.431
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -19.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -177.827729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.827729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.827729 (E_RNA)
where:
Base-Base interactions energy: -104.758
where: short stacking energy: -45.075
Base-Backbone interact. energy: -0.722
local terms energy: -72.348446
where:
bonds (distance) C4'-P energy: -8.981
bonds (distance) P-C4' energy: -19.236
flat angles C4'-P-C4' energy: -19.946
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -14.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -117.643351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.643351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.643351 (E_RNA)
where:
Base-Base interactions energy: -57.954
where: short stacking energy: -39.735
Base-Backbone interact. energy: -0.104
local terms energy: -59.585708
where:
bonds (distance) C4'-P energy: -11.104
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -6.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -142.829329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.829329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.829329 (E_RNA)
where:
Base-Base interactions energy: -90.633
where: short stacking energy: -43.105
Base-Backbone interact. energy: -0.047
local terms energy: -52.149782
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: -11.969
flat angles P-C4'-P energy: -6.746
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: 9, replica: 1
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -89.362659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.362659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.362659 (E_RNA)
where:
Base-Base interactions energy: -28.551
where: short stacking energy: -28.551
Base-Backbone interact. energy: -0.534
local terms energy: -60.278372
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -18.297
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -7.230
tors. eta vs tors. theta energy: -3.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -91.579758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.579758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.579758 (E_RNA)
where:
Base-Base interactions energy: -43.028
where: short stacking energy: -23.881
Base-Backbone interact. energy: -0.240
local terms energy: -48.312324
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -7.877
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -13.163
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: 1, replica: 2
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -236.034990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.034990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.034990 (E_RNA)
where:
Base-Base interactions energy: -146.206
where: short stacking energy: -71.329
Base-Backbone interact. energy: -0.157
local terms energy: -89.671671
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -19.153
flat angles C4'-P-C4' energy: -20.137
flat angles P-C4'-P energy: -16.148
tors. eta vs tors. theta energy: -16.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -222.537703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.537703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.537703 (E_RNA)
where:
Base-Base interactions energy: -133.738
where: short stacking energy: -70.761
Base-Backbone interact. energy: -0.085
local terms energy: -88.714584
where:
bonds (distance) C4'-P energy: -14.519
bonds (distance) P-C4' energy: -19.166
flat angles C4'-P-C4' energy: -18.925
flat angles P-C4'-P energy: -14.942
tors. eta vs tors. theta energy: -21.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -211.712505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.712505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.712505 (E_RNA)
where:
Base-Base interactions energy: -132.548
where: short stacking energy: -73.913
Base-Backbone interact. energy: -0.069
local terms energy: -79.095018
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -18.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -217.318767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.318767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.318767 (E_RNA)
where:
Base-Base interactions energy: -142.922
where: short stacking energy: -68.464
Base-Backbone interact. energy: -0.821
local terms energy: -73.575681
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -17.550
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -6.792
tors. eta vs tors. theta energy: -17.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -198.922502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.922502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.922502 (E_RNA)
where:
Base-Base interactions energy: -123.971
where: short stacking energy: -56.059
Base-Backbone interact. energy: -0.237
local terms energy: -74.713851
where:
bonds (distance) C4'-P energy: -12.058
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -15.356
tors. eta vs tors. theta energy: -15.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -177.542342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.542342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.542342 (E_RNA)
where:
Base-Base interactions energy: -104.854
where: short stacking energy: -46.827
Base-Backbone interact. energy: -0.146
local terms energy: -72.542660
where:
bonds (distance) C4'-P energy: -18.558
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -12.802
tors. eta vs tors. theta energy: -12.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -158.083768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.083768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.083768 (E_RNA)
where:
Base-Base interactions energy: -91.843
where: short stacking energy: -47.349
Base-Backbone interact. energy: -0.278
local terms energy: -65.962660
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: -10.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -97.426700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.426700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.426700 (E_RNA)
where:
Base-Base interactions energy: -39.161
where: short stacking energy: -24.454
Base-Backbone interact. energy: -0.112
local terms energy: -58.153284
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -3.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -88.789346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.789346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.789346 (E_RNA)
where:
Base-Base interactions energy: -32.811
where: short stacking energy: -31.929
Base-Backbone interact. energy: 0.814
local terms energy: -56.791757
where:
bonds (distance) C4'-P energy: -17.371
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -0.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -90.974309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.974309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.974309 (E_RNA)
where:
Base-Base interactions energy: -37.024
where: short stacking energy: -37.024
Base-Backbone interact. energy: -0.817
local terms energy: -53.133119
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -10.903
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -7.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -228.213218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.213218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.213218 (E_RNA)
where:
Base-Base interactions energy: -152.568
where: short stacking energy: -74.596
Base-Backbone interact. energy: -0.092
local terms energy: -75.553460
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -18.227
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -17.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -227.833848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.833848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.833848 (E_RNA)
where:
Base-Base interactions energy: -136.642
where: short stacking energy: -74.017
Base-Backbone interact. energy: -0.002
local terms energy: -91.189448
where:
bonds (distance) C4'-P energy: -18.289
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -18.668
flat angles P-C4'-P energy: -11.793
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: 3, replica: 7
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -221.297082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.297082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.297082 (E_RNA)
where:
Base-Base interactions energy: -142.633
where: short stacking energy: -69.158
Base-Backbone interact. energy: -0.212
local terms energy: -78.452586
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -16.651
flat angles C4'-P-C4' energy: -17.991
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -20.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -197.078795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.078795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.078795 (E_RNA)
where:
Base-Base interactions energy: -117.363
where: short stacking energy: -62.339
Base-Backbone interact. energy: -0.152
local terms energy: -79.563109
where:
bonds (distance) C4'-P energy: -17.468
bonds (distance) P-C4' energy: -18.065
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -12.985
tors. eta vs tors. theta energy: -16.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -209.657636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.657636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.657636 (E_RNA)
where:
Base-Base interactions energy: -137.227
where: short stacking energy: -65.669
Base-Backbone interact. energy: -0.505
local terms energy: -71.926162
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -17.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -197.773489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.773489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.773489 (E_RNA)
where:
Base-Base interactions energy: -126.249
where: short stacking energy: -56.330
Base-Backbone interact. energy: 0.055
local terms energy: -71.579531
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -17.387
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -10.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -147.224230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.224230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.224230 (E_RNA)
where:
Base-Base interactions energy: -83.937
where: short stacking energy: -43.735
Base-Backbone interact. energy: -0.144
local terms energy: -63.143534
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -11.815
flat angles P-C4'-P energy: -12.265
tors. eta vs tors. theta energy: -7.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -95.803554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.803554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.803554 (E_RNA)
where:
Base-Base interactions energy: -42.342
where: short stacking energy: -28.015
Base-Backbone interact. energy: -0.092
local terms energy: -53.369777
where:
bonds (distance) C4'-P energy: -8.480
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -3.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -89.725845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.725845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.725845 (E_RNA)
where:
Base-Base interactions energy: -33.974
where: short stacking energy: -32.059
Base-Backbone interact. energy: -0.081
local terms energy: -55.670858
where:
bonds (distance) C4'-P energy: -9.385
bonds (distance) P-C4' energy: -14.301
flat angles C4'-P-C4' energy: -10.924
flat angles P-C4'-P energy: -12.131
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: 10, replica: 1
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -93.500365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.500365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.500365 (E_RNA)
where:
Base-Base interactions energy: -40.876
where: short stacking energy: -21.065
Base-Backbone interact. energy: -0.688
local terms energy: -51.936306
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -9.575
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -2.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -237.377634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.377634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.377634 (E_RNA)
where:
Base-Base interactions energy: -149.216
where: short stacking energy: -74.813
Base-Backbone interact. energy: -0.112
local terms energy: -88.049362
where:
bonds (distance) C4'-P energy: -18.144
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -19.268
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -23.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -224.951576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.951576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.951576 (E_RNA)
where:
Base-Base interactions energy: -142.937
where: short stacking energy: -74.426
Base-Backbone interact. energy: -0.157
local terms energy: -81.857380
where:
bonds (distance) C4'-P energy: -19.215
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -10.240
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: 3, replica: 10
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -205.190332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.190332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.190332 (E_RNA)
where:
Base-Base interactions energy: -125.577
where: short stacking energy: -60.436
Base-Backbone interact. energy: -0.164
local terms energy: -79.449493
where:
bonds (distance) C4'-P energy: -16.934
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -12.637
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: 4, replica: 7
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -203.150870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.150870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.150870 (E_RNA)
where:
Base-Base interactions energy: -127.438
where: short stacking energy: -65.135
Base-Backbone interact. energy: -0.216
local terms energy: -75.496609
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -19.941
flat angles C4'-P-C4' energy: -9.479
flat angles P-C4'-P energy: -14.999
tors. eta vs tors. theta energy: -16.698
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: 9
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -208.835028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.835028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.835028 (E_RNA)
where:
Base-Base interactions energy: -127.783
where: short stacking energy: -68.874
Base-Backbone interact. energy: -0.040
local terms energy: -81.011297
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -19.028
flat angles P-C4'-P energy: -6.909
tors. eta vs tors. theta energy: -23.159
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: 186
Temperature: 1.150000
Total energy: -219.794324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.794324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.794324 (E_RNA)
where:
Base-Base interactions energy: -136.208
where: short stacking energy: -79.923
Base-Backbone interact. energy: -0.388
local terms energy: -83.199060
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -17.557
flat angles C4'-P-C4' energy: -15.641
flat angles P-C4'-P energy: -10.787
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: 7, replica: 5
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -147.462305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.462305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.462305 (E_RNA)
where:
Base-Base interactions energy: -83.959
where: short stacking energy: -41.763
Base-Backbone interact. energy: -0.247
local terms energy: -63.256550
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -6.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -98.562865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.562865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.562865 (E_RNA)
where:
Base-Base interactions energy: -34.981
where: short stacking energy: -34.981
Base-Backbone interact. energy: -0.216
local terms energy: -63.365779
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -13.040
tors. eta vs tors. theta energy: -6.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -89.280901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.280901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.280901 (E_RNA)
where:
Base-Base interactions energy: -22.113
where: short stacking energy: -22.033
Base-Backbone interact. energy: -1.854
local terms energy: -65.314291
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -19.057
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: 0.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -88.790507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.790507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.790507 (E_RNA)
where:
Base-Base interactions energy: -26.000
where: short stacking energy: -24.532
Base-Backbone interact. energy: -0.345
local terms energy: -62.446060
where:
bonds (distance) C4'-P energy: -16.199
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -4.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -230.194897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.194897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.194897 (E_RNA)
where:
Base-Base interactions energy: -144.930
where: short stacking energy: -75.730
Base-Backbone interact. energy: -0.036
local terms energy: -85.228670
where:
bonds (distance) C4'-P energy: -17.348
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -19.039
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -20.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -210.086139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.086139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.086139 (E_RNA)
where:
Base-Base interactions energy: -129.794
where: short stacking energy: -61.862
Base-Backbone interact. energy: 0.547
local terms energy: -80.839218
where:
bonds (distance) C4'-P energy: -19.220
bonds (distance) P-C4' energy: -18.136
flat angles C4'-P-C4' energy: -18.426
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -14.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -233.367422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.367422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.367422 (E_RNA)
where:
Base-Base interactions energy: -147.248
where: short stacking energy: -72.188
Base-Backbone interact. energy: -0.057
local terms energy: -86.062334
where:
bonds (distance) C4'-P energy: -18.871
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -21.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -205.119805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.119805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.119805 (E_RNA)
where:
Base-Base interactions energy: -134.414
where: short stacking energy: -65.023
Base-Backbone interact. energy: 3.373
local terms energy: -74.079298
where:
bonds (distance) C4'-P energy: -17.048
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -15.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -192.850438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.850438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.850438 (E_RNA)
where:
Base-Base interactions energy: -120.105
where: short stacking energy: -54.331
Base-Backbone interact. energy: 0.310
local terms energy: -73.055980
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -4.543
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: 6, replica: 8
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -192.568173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.568173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.568173 (E_RNA)
where:
Base-Base interactions energy: -117.353
where: short stacking energy: -66.929
Base-Backbone interact. energy: -0.025
local terms energy: -75.190117
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -17.919
flat angles C4'-P-C4' energy: -19.617
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -12.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -169.578660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.578660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.578660 (E_RNA)
where:
Base-Base interactions energy: -101.381
where: short stacking energy: -56.911
Base-Backbone interact. energy: -0.094
local terms energy: -68.103457
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -12.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -110.654954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.654954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.654954 (E_RNA)
where:
Base-Base interactions energy: -44.836
where: short stacking energy: -44.836
Base-Backbone interact. energy: -0.241
local terms energy: -65.577773
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -6.398
tors. eta vs tors. theta energy: -13.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -92.876011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.876011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.876011 (E_RNA)
where:
Base-Base interactions energy: -30.742
where: short stacking energy: -30.742
Base-Backbone interact. energy: -0.056
local terms energy: -62.078264
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -18.226
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -10.153
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: 1
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -95.932411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.932411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.932411 (E_RNA)
where:
Base-Base interactions energy: -36.140
where: short stacking energy: -36.140
Base-Backbone interact. energy: -0.197
local terms energy: -59.595880
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -11.522
flat angles P-C4'-P energy: -8.592
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: 1, replica: 3
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -233.648921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.648921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.648921 (E_RNA)
where:
Base-Base interactions energy: -153.267
where: short stacking energy: -78.566
Base-Backbone interact. energy: -0.079
local terms energy: -80.302583
where:
bonds (distance) C4'-P energy: -18.350
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -16.555
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -16.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -197.101702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.101702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.101702 (E_RNA)
where:
Base-Base interactions energy: -121.938
where: short stacking energy: -68.613
Base-Backbone interact. energy: 0.128
local terms energy: -75.291455
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -16.599
flat angles C4'-P-C4' energy: -18.558
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -14.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -221.361579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.361579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.361579 (E_RNA)
where:
Base-Base interactions energy: -138.261
where: short stacking energy: -69.739
Base-Backbone interact. energy: -0.136
local terms energy: -82.964530
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -20.666
flat angles C4'-P-C4' energy: -19.654
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -18.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -209.083777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.083777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.083777 (E_RNA)
where:
Base-Base interactions energy: -122.683
where: short stacking energy: -67.946
Base-Backbone interact. energy: -0.134
local terms energy: -86.266406
where:
bonds (distance) C4'-P energy: -18.243
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -19.555
flat angles P-C4'-P energy: -14.086
tors. eta vs tors. theta energy: -18.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -191.306774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.306774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.306774 (E_RNA)
where:
Base-Base interactions energy: -119.377
where: short stacking energy: -68.888
Base-Backbone interact. energy: -0.077
local terms energy: -71.852167
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -10.337
flat angles P-C4'-P energy: -11.665
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: 6, replica: 7
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -168.934816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.934816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.934816 (E_RNA)
where:
Base-Base interactions energy: -100.687
where: short stacking energy: -57.425
Base-Backbone interact. energy: -0.246
local terms energy: -68.001649
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -18.291
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -12.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -158.831757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.831757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.831757 (E_RNA)
where:
Base-Base interactions energy: -89.331
where: short stacking energy: -45.522
Base-Backbone interact. energy: -0.295
local terms energy: -69.205293
where:
bonds (distance) C4'-P energy: -17.895
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -17.329
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -7.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -98.605925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.605925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.605925 (E_RNA)
where:
Base-Base interactions energy: -44.229
where: short stacking energy: -26.392
Base-Backbone interact. energy: 0.290
local terms energy: -54.667327
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -3.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -85.409897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.409897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.409897 (E_RNA)
where:
Base-Base interactions energy: -27.892
where: short stacking energy: -27.760
Base-Backbone interact. energy: -0.112
local terms energy: -57.406385
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -6.615
tors. eta vs tors. theta energy: -5.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -83.386493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.386493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.386493 (E_RNA)
where:
Base-Base interactions energy: -33.878
where: short stacking energy: -22.119
Base-Backbone interact. energy: -0.371
local terms energy: -49.137796
where:
bonds (distance) C4'-P energy: -9.729
bonds (distance) P-C4' energy: -17.990
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -5.440
tors. eta vs tors. theta energy: -2.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -236.966754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.966754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.966754 (E_RNA)
where:
Base-Base interactions energy: -147.373
where: short stacking energy: -80.610
Base-Backbone interact. energy: 0.396
local terms energy: -89.989236
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -18.984
flat angles C4'-P-C4' energy: -19.504
flat angles P-C4'-P energy: -13.941
tors. eta vs tors. theta energy: -21.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -223.580426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.580426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.580426 (E_RNA)
where:
Base-Base interactions energy: -140.724
where: short stacking energy: -69.429
Base-Backbone interact. energy: -0.072
local terms energy: -82.784351
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -13.254
tors. eta vs tors. theta energy: -20.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -205.892205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.892205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.892205 (E_RNA)
where:
Base-Base interactions energy: -131.260
where: short stacking energy: -62.906
Base-Backbone interact. energy: -0.001
local terms energy: -74.630501
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -16.931
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -13.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -212.672656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.672656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.672656 (E_RNA)
where:
Base-Base interactions energy: -132.199
where: short stacking energy: -79.643
Base-Backbone interact. energy: -0.033
local terms energy: -80.441433
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -17.280
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -22.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -205.318863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.318863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.318863 (E_RNA)
where:
Base-Base interactions energy: -126.608
where: short stacking energy: -64.589
Base-Backbone interact. energy: -0.244
local terms energy: -78.466631
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -19.414
flat angles P-C4'-P energy: -11.109
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: 6, replica: 5
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -159.870824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.870824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.870824 (E_RNA)
where:
Base-Base interactions energy: -89.908
where: short stacking energy: -50.504
Base-Backbone interact. energy: -0.985
local terms energy: -68.978179
where:
bonds (distance) C4'-P energy: -17.406
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -6.105
tors. eta vs tors. theta energy: -12.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -182.085143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.085143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.085143 (E_RNA)
where:
Base-Base interactions energy: -118.774
where: short stacking energy: -62.065
Base-Backbone interact. energy: -0.642
local terms energy: -62.668922
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -10.908
flat angles C4'-P-C4' energy: -13.809
flat angles P-C4'-P energy: -13.376
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: 8, replica: 1
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -100.762129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.762129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.762129 (E_RNA)
where:
Base-Base interactions energy: -34.948
where: short stacking energy: -32.566
Base-Backbone interact. energy: -0.058
local terms energy: -65.756531
where:
bonds (distance) C4'-P energy: -19.165
bonds (distance) P-C4' energy: -18.827
flat angles C4'-P-C4' energy: -12.257
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -5.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -90.037494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.037494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.037494 (E_RNA)
where:
Base-Base interactions energy: -39.990
where: short stacking energy: -23.820
Base-Backbone interact. energy: -0.142
local terms energy: -49.905518
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -18.249
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -7.408
tors. eta vs tors. theta energy: 3.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -94.259532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.259532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.259532 (E_RNA)
where:
Base-Base interactions energy: -35.231
where: short stacking energy: -35.231
Base-Backbone interact. energy: -0.104
local terms energy: -58.924385
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -15.686
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -4.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -243.607430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.607430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.607430 (E_RNA)
where:
Base-Base interactions energy: -152.086
where: short stacking energy: -74.288
Base-Backbone interact. energy: -0.026
local terms energy: -91.494877
where:
bonds (distance) C4'-P energy: -18.798
bonds (distance) P-C4' energy: -19.281
flat angles C4'-P-C4' energy: -18.557
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -24.498
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: 3
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -214.030989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.030989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.030989 (E_RNA)
where:
Base-Base interactions energy: -138.878
where: short stacking energy: -70.075
Base-Backbone interact. energy: 0.104
local terms energy: -75.256175
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -18.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -209.213115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.213115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.213115 (E_RNA)
where:
Base-Base interactions energy: -123.813
where: short stacking energy: -63.642
Base-Backbone interact. energy: -0.034
local terms energy: -85.365227
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -18.707
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -21.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -196.521084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.521084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.521084 (E_RNA)
where:
Base-Base interactions energy: -126.518
where: short stacking energy: -57.227
Base-Backbone interact. energy: -0.500
local terms energy: -69.502871
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -14.935
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -16.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -211.043332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.043332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.043332 (E_RNA)
where:
Base-Base interactions energy: -135.851
where: short stacking energy: -63.339
Base-Backbone interact. energy: -0.007
local terms energy: -75.185250
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -20.013
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: -15.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -163.098690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.098690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.098690 (E_RNA)
where:
Base-Base interactions energy: -102.441
where: short stacking energy: -53.091
Base-Backbone interact. energy: -0.113
local terms energy: -60.545302
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -10.347
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: 7, replica: 7
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -172.269329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.269329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.269329 (E_RNA)
where:
Base-Base interactions energy: -115.332
where: short stacking energy: -52.537
Base-Backbone interact. energy: 0.300
local terms energy: -57.236611
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -8.853
flat angles C4'-P-C4' energy: -7.898
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -13.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -88.993060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.993060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.993060 (E_RNA)
where:
Base-Base interactions energy: -37.768
where: short stacking energy: -22.159
Base-Backbone interact. energy: -0.354
local terms energy: -50.871296
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: 3.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -93.845502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.845502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.845502 (E_RNA)
where:
Base-Base interactions energy: -37.815
where: short stacking energy: -36.108
Base-Backbone interact. energy: -0.166
local terms energy: -55.864446
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -6.977
tors. eta vs tors. theta energy: -6.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -90.195122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.195122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.195122 (E_RNA)
where:
Base-Base interactions energy: -42.081
where: short stacking energy: -23.271
Base-Backbone interact. energy: -1.158
local terms energy: -46.956324
where:
bonds (distance) C4'-P energy: -11.622
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -11.388
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: 1.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -238.658000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.658000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.658000 (E_RNA)
where:
Base-Base interactions energy: -154.813
where: short stacking energy: -76.846
Base-Backbone interact. energy: -0.078
local terms energy: -83.766624
where:
bonds (distance) C4'-P energy: -9.195
bonds (distance) P-C4' energy: -18.322
flat angles C4'-P-C4' energy: -18.554
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -25.127
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: 8
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -214.049437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.049437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.049437 (E_RNA)
where:
Base-Base interactions energy: -132.689
where: short stacking energy: -71.069
Base-Backbone interact. energy: -0.432
local terms energy: -80.928485
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -11.483
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: 3, replica: 3
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -217.663751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.663751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.663751 (E_RNA)
where:
Base-Base interactions energy: -142.976
where: short stacking energy: -66.770
Base-Backbone interact. energy: -0.190
local terms energy: -74.498031
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -8.349
tors. eta vs tors. theta energy: -17.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -186.028842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.028842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.028842 (E_RNA)
where:
Base-Base interactions energy: -116.786
where: short stacking energy: -58.404
Base-Backbone interact. energy: -0.535
local terms energy: -68.708059
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -18.613
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -11.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -187.109854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.109854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.109854 (E_RNA)
where:
Base-Base interactions energy: -115.023
where: short stacking energy: -56.653
Base-Backbone interact. energy: -0.174
local terms energy: -71.912652
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -18.942
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -17.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -168.232079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.232079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.232079 (E_RNA)
where:
Base-Base interactions energy: -97.054
where: short stacking energy: -43.855
Base-Backbone interact. energy: 0.168
local terms energy: -71.346671
where:
bonds (distance) C4'-P energy: -17.207
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -11.611
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: 191
Temperature: 1.200000
Total energy: -167.592500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.592500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.592500 (E_RNA)
where:
Base-Base interactions energy: -99.331
where: short stacking energy: -43.547
Base-Backbone interact. energy: -0.008
local terms energy: -68.253951
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -13.245
flat angles C4'-P-C4' energy: -17.788
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -11.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -111.039279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.039279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.039279 (E_RNA)
where:
Base-Base interactions energy: -49.059
where: short stacking energy: -30.656
Base-Backbone interact. energy: -0.301
local terms energy: -61.679819
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -16.200
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: -7.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -125.034759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.034759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.034759 (E_RNA)
where:
Base-Base interactions energy: -63.228
where: short stacking energy: -29.151
Base-Backbone interact. energy: -0.159
local terms energy: -61.647490
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -3.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -88.852718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.852718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.852718 (E_RNA)
where:
Base-Base interactions energy: -31.811
where: short stacking energy: -31.005
Base-Backbone interact. energy: -0.307
local terms energy: -56.734244
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -9.698
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -4.233
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: 1, replica: 2
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -249.400675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.400675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.400675 (E_RNA)
where:
Base-Base interactions energy: -160.701
where: short stacking energy: -87.455
Base-Backbone interact. energy: -0.098
local terms energy: -88.601544
where:
bonds (distance) C4'-P energy: -17.156
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -21.892
flat angles P-C4'-P energy: -12.247
tors. eta vs tors. theta energy: -22.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -218.603593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.603593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.603593 (E_RNA)
where:
Base-Base interactions energy: -140.041
where: short stacking energy: -70.192
Base-Backbone interact. energy: 0.943
local terms energy: -79.506248
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -19.560
flat angles C4'-P-C4' energy: -20.014
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: -16.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -216.903068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.903068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.903068 (E_RNA)
where:
Base-Base interactions energy: -134.506
where: short stacking energy: -73.119
Base-Backbone interact. energy: -0.034
local terms energy: -82.363342
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -16.074
flat angles C4'-P-C4' energy: -17.937
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -18.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -207.428400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.428400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.428400 (E_RNA)
where:
Base-Base interactions energy: -128.989
where: short stacking energy: -62.874
Base-Backbone interact. energy: -0.011
local terms energy: -78.428056
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -18.949
flat angles P-C4'-P energy: -7.739
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: 5, replica: 7
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -172.529367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.529367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.529367 (E_RNA)
where:
Base-Base interactions energy: -105.535
where: short stacking energy: -58.006
Base-Backbone interact. energy: 0.113
local terms energy: -67.107307
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -17.512
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -12.216
tors. eta vs tors. theta energy: -10.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -180.056031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.056031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.056031 (E_RNA)
where:
Base-Base interactions energy: -107.379
where: short stacking energy: -55.555
Base-Backbone interact. energy: -0.003
local terms energy: -72.673907
where:
bonds (distance) C4'-P energy: -19.290
bonds (distance) P-C4' energy: -18.424
flat angles C4'-P-C4' energy: -12.131
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -10.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -184.559483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.559483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.559483 (E_RNA)
where:
Base-Base interactions energy: -115.517
where: short stacking energy: -53.771
Base-Backbone interact. energy: -0.036
local terms energy: -69.006831
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -14.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -86.016925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.016925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.016925 (E_RNA)
where:
Base-Base interactions energy: -33.878
where: short stacking energy: -33.878
Base-Backbone interact. energy: 0.327
local terms energy: -52.466391
where:
bonds (distance) C4'-P energy: -9.134
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -11.498
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: 6
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -144.177750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.177750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.177750 (E_RNA)
where:
Base-Base interactions energy: -77.914
where: short stacking energy: -45.104
Base-Backbone interact. energy: -0.034
local terms energy: -66.229476
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -18.368
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: -6.303
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: 4
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -92.827299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.827299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.827299 (E_RNA)
where:
Base-Base interactions energy: -36.127
where: short stacking energy: -28.804
Base-Backbone interact. energy: 2.805
local terms energy: -59.505324
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -6.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -232.184855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.184855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.184855 (E_RNA)
where:
Base-Base interactions energy: -144.459
where: short stacking energy: -71.061
Base-Backbone interact. energy: -0.102
local terms energy: -87.624364
where:
bonds (distance) C4'-P energy: -15.714
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -23.278
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: 9
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -223.290244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.290244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.290244 (E_RNA)
where:
Base-Base interactions energy: -144.692
where: short stacking energy: -78.270
Base-Backbone interact. energy: -0.071
local terms energy: -78.527036
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -16.074
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -13.930
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: 3, replica: 8
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -217.734121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.734121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.734121 (E_RNA)
where:
Base-Base interactions energy: -137.046
where: short stacking energy: -72.430
Base-Backbone interact. energy: -0.178
local terms energy: -80.510944
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -18.628
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -18.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -218.137326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.137326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.137326 (E_RNA)
where:
Base-Base interactions energy: -136.316
where: short stacking energy: -71.710
Base-Backbone interact. energy: -0.022
local terms energy: -81.799944
where:
bonds (distance) C4'-P energy: -18.048
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -22.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -179.427018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.427018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.427018 (E_RNA)
where:
Base-Base interactions energy: -109.246
where: short stacking energy: -48.232
Base-Backbone interact. energy: 0.202
local terms energy: -70.382942
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -19.890
flat angles C4'-P-C4' energy: -17.316
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -11.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -175.863409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.863409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.863409 (E_RNA)
where:
Base-Base interactions energy: -112.303
where: short stacking energy: -58.085
Base-Backbone interact. energy: 2.374
local terms energy: -65.935026
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -16.845
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -4.219
tors. eta vs tors. theta energy: -16.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -177.358100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.358100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.358100 (E_RNA)
where:
Base-Base interactions energy: -102.689
where: short stacking energy: -56.341
Base-Backbone interact. energy: -0.017
local terms energy: -74.651915
where:
bonds (distance) C4'-P energy: -18.935
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -13.990
tors. eta vs tors. theta energy: -12.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -152.185749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.185749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.185749 (E_RNA)
where:
Base-Base interactions energy: -84.508
where: short stacking energy: -46.171
Base-Backbone interact. energy: -0.118
local terms energy: -67.559635
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -18.607
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: -10.824
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: 1
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -113.382247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.382247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.382247 (E_RNA)
where:
Base-Base interactions energy: -64.007
where: short stacking energy: -33.864
Base-Backbone interact. energy: -0.610
local terms energy: -48.765348
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -11.078
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -1.545
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: 4
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -87.574510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.574510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.574510 (E_RNA)
where:
Base-Base interactions energy: -29.874
where: short stacking energy: -27.758
Base-Backbone interact. energy: -0.209
local terms energy: -57.491536
where:
bonds (distance) C4'-P energy: -14.561
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -3.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -234.551385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.551385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.551385 (E_RNA)
where:
Base-Base interactions energy: -154.606
where: short stacking energy: -69.175
Base-Backbone interact. energy: -0.103
local terms energy: -79.841766
where:
bonds (distance) C4'-P energy: -17.275
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -6.961
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: 2, replica: 9
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -219.525850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.525850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.525850 (E_RNA)
where:
Base-Base interactions energy: -132.015
where: short stacking energy: -73.860
Base-Backbone interact. energy: -0.321
local terms energy: -87.189597
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -19.546
flat angles C4'-P-C4' energy: -17.334
flat angles P-C4'-P energy: -14.304
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: 3, replica: 3
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -210.571015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.571015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.571015 (E_RNA)
where:
Base-Base interactions energy: -130.300
where: short stacking energy: -68.899
Base-Backbone interact. energy: -0.282
local terms energy: -79.988210
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -18.109
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -20.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -197.966382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.966382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.966382 (E_RNA)
where:
Base-Base interactions energy: -126.933
where: short stacking energy: -58.631
Base-Backbone interact. energy: 0.541
local terms energy: -71.573876
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -13.025
tors. eta vs tors. theta energy: -16.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -178.362746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.362746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.362746 (E_RNA)
where:
Base-Base interactions energy: -107.581
where: short stacking energy: -41.146
Base-Backbone interact. energy: -0.454
local terms energy: -70.327609
where:
bonds (distance) C4'-P energy: -17.401
bonds (distance) P-C4' energy: -20.430
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -6.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -175.163359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.163359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.163359 (E_RNA)
where:
Base-Base interactions energy: -109.808
where: short stacking energy: -55.201
Base-Backbone interact. energy: 1.671
local terms energy: -67.026863
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -6.804
tors. eta vs tors. theta energy: -13.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -177.756520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.756520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.756520 (E_RNA)
where:
Base-Base interactions energy: -104.249
where: short stacking energy: -56.169
Base-Backbone interact. energy: -0.015
local terms energy: -73.492052
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -18.025
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -15.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -159.710164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.710164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.710164 (E_RNA)
where:
Base-Base interactions energy: -87.530
where: short stacking energy: -48.876
Base-Backbone interact. energy: -0.087
local terms energy: -72.093088
where:
bonds (distance) C4'-P energy: -16.600
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -10.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -141.665022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.665022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.665022 (E_RNA)
where:
Base-Base interactions energy: -79.205
where: short stacking energy: -43.553
Base-Backbone interact. energy: -0.230
local terms energy: -62.230064
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: -8.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -94.990697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.990697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.990697 (E_RNA)
where:
Base-Base interactions energy: -40.485
where: short stacking energy: -37.567
Base-Backbone interact. energy: -0.067
local terms energy: -54.438452
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -12.724
flat angles P-C4'-P energy: -6.014
tors. eta vs tors. theta energy: -5.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -249.248497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.248497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.248497 (E_RNA)
where:
Base-Base interactions energy: -163.184
where: short stacking energy: -80.395
Base-Backbone interact. energy: -0.109
local terms energy: -85.955601
where:
bonds (distance) C4'-P energy: -19.858
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -22.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -221.951318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.951318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.951318 (E_RNA)
where:
Base-Base interactions energy: -138.375
where: short stacking energy: -71.244
Base-Backbone interact. energy: -0.079
local terms energy: -83.497976
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -18.242
flat angles P-C4'-P energy: -7.792
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: 3, replica: 9
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -206.070520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.070520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.070520 (E_RNA)
where:
Base-Base interactions energy: -123.833
where: short stacking energy: -70.371
Base-Backbone interact. energy: -0.343
local terms energy: -81.894472
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -16.292
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -13.165
tors. eta vs tors. theta energy: -20.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -217.052751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.052751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.052751 (E_RNA)
where:
Base-Base interactions energy: -142.459
where: short stacking energy: -64.846
Base-Backbone interact. energy: -0.114
local terms energy: -74.479728
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -17.829
flat angles P-C4'-P energy: -14.504
tors. eta vs tors. theta energy: -16.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -167.445500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.445500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.445500 (E_RNA)
where:
Base-Base interactions energy: -106.966
where: short stacking energy: -53.095
Base-Backbone interact. energy: -0.070
local terms energy: -60.408768
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -11.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -188.382277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.382277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.382277 (E_RNA)
where:
Base-Base interactions energy: -108.524
where: short stacking energy: -42.620
Base-Backbone interact. energy: -0.061
local terms energy: -79.796837
where:
bonds (distance) C4'-P energy: -18.710
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -18.552
flat angles P-C4'-P energy: -13.401
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: 7, replica: 7
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -157.199131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.199131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.199131 (E_RNA)
where:
Base-Base interactions energy: -93.637
where: short stacking energy: -57.506
Base-Backbone interact. energy: -0.118
local terms energy: -63.443974
where:
bonds (distance) C4'-P energy: -12.392
bonds (distance) P-C4' energy: -13.049
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: -12.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -164.191373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.191373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.191373 (E_RNA)
where:
Base-Base interactions energy: -102.563
where: short stacking energy: -59.268
Base-Backbone interact. energy: -0.003
local terms energy: -61.625565
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -10.778
flat angles C4'-P-C4' energy: -17.082
flat angles P-C4'-P energy: -6.976
tors. eta vs tors. theta energy: -13.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -130.451930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.451930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.451930 (E_RNA)
where:
Base-Base interactions energy: -71.015
where: short stacking energy: -35.062
Base-Backbone interact. energy: -0.117
local terms energy: -59.320641
where:
bonds (distance) C4'-P energy: -17.651
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -5.383
tors. eta vs tors. theta energy: -7.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -82.088307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.088307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.088307 (E_RNA)
where:
Base-Base interactions energy: -36.326
where: short stacking energy: -27.454
Base-Backbone interact. energy: 0.174
local terms energy: -45.936343
where:
bonds (distance) C4'-P energy: -17.543
bonds (distance) P-C4' energy: -11.486
flat angles C4'-P-C4' energy: -9.455
flat angles P-C4'-P energy: -6.729
tors. eta vs tors. theta energy: -0.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -253.530928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.530928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.530928 (E_RNA)
where:
Base-Base interactions energy: -171.269
where: short stacking energy: -84.834
Base-Backbone interact. energy: -0.102
local terms energy: -82.159503
where:
bonds (distance) C4'-P energy: -12.751
bonds (distance) P-C4' energy: -18.548
flat angles C4'-P-C4' energy: -17.397
flat angles P-C4'-P energy: -12.319
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: 196
Temperature: 0.950000
Total energy: -218.901332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.901332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.901332 (E_RNA)
where:
Base-Base interactions energy: -136.668
where: short stacking energy: -73.767
Base-Backbone interact. energy: -0.285
local terms energy: -81.948278
where:
bonds (distance) C4'-P energy: -18.188
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -14.047
tors. eta vs tors. theta energy: -18.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -232.470396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.470396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.470396 (E_RNA)
where:
Base-Base interactions energy: -147.350
where: short stacking energy: -70.020
Base-Backbone interact. energy: -0.028
local terms energy: -85.092429
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -19.690
flat angles C4'-P-C4' energy: -17.736
flat angles P-C4'-P energy: -9.375
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: 4, replica: 9
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -214.477683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.477683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.477683 (E_RNA)
where:
Base-Base interactions energy: -129.941
where: short stacking energy: -70.450
Base-Backbone interact. energy: -0.024
local terms energy: -84.512559
where:
bonds (distance) C4'-P energy: -19.196
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -21.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -186.699522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.699522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.699522 (E_RNA)
where:
Base-Base interactions energy: -120.486
where: short stacking energy: -59.897
Base-Backbone interact. energy: -0.167
local terms energy: -66.046520
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -10.924
flat angles P-C4'-P energy: -12.631
tors. eta vs tors. theta energy: -10.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -169.157455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.157455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.157455 (E_RNA)
where:
Base-Base interactions energy: -100.433
where: short stacking energy: -54.756
Base-Backbone interact. energy: -0.047
local terms energy: -68.677197
where:
bonds (distance) C4'-P energy: -18.567
bonds (distance) P-C4' energy: -18.983
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -11.166
tors. eta vs tors. theta energy: -7.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -162.776352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.776352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.776352 (E_RNA)
where:
Base-Base interactions energy: -94.096
where: short stacking energy: -48.389
Base-Backbone interact. energy: -0.013
local terms energy: -68.667291
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -12.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -161.567381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.567381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.567381 (E_RNA)
where:
Base-Base interactions energy: -91.631
where: short stacking energy: -44.265
Base-Backbone interact. energy: -0.134
local terms energy: -69.802195
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -18.760
flat angles P-C4'-P energy: -8.720
tors. eta vs tors. theta energy: -10.216
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: 1
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -87.913048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.913048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.913048 (E_RNA)
where:
Base-Base interactions energy: -39.403
where: short stacking energy: -39.403
Base-Backbone interact. energy: -0.011
local terms energy: -48.498729
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -12.417
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -6.496
tors. eta vs tors. theta energy: -0.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -83.425966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.425966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.425966 (E_RNA)
where:
Base-Base interactions energy: -35.996
where: short stacking energy: -24.944
Base-Backbone interact. energy: -0.721
local terms energy: -46.708975
where:
bonds (distance) C4'-P energy: -9.872
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -6.412
flat angles P-C4'-P energy: -15.894
tors. eta vs tors. theta energy: -1.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -241.862744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.862744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.862744 (E_RNA)
where:
Base-Base interactions energy: -153.294
where: short stacking energy: -77.913
Base-Backbone interact. energy: -0.030
local terms energy: -88.538900
where:
bonds (distance) C4'-P energy: -16.986
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -18.907
flat angles P-C4'-P energy: -9.521
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: 2, replica: 8
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -227.656529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.656529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.656529 (E_RNA)
where:
Base-Base interactions energy: -137.334
where: short stacking energy: -69.640
Base-Backbone interact. energy: -0.155
local terms energy: -90.166657
where:
bonds (distance) C4'-P energy: -19.084
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -14.317
tors. eta vs tors. theta energy: -22.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -219.872596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.872596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.872596 (E_RNA)
where:
Base-Base interactions energy: -145.845
where: short stacking energy: -71.532
Base-Backbone interact. energy: -0.015
local terms energy: -74.012253
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -14.270
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -10.494
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: 4, replica: 9
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -208.202729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.202729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.202729 (E_RNA)
where:
Base-Base interactions energy: -133.032
where: short stacking energy: -69.984
Base-Backbone interact. energy: -0.101
local terms energy: -75.069059
where:
bonds (distance) C4'-P energy: -16.766
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -17.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -179.607224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.607224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.607224 (E_RNA)
where:
Base-Base interactions energy: -117.880
where: short stacking energy: -54.409
Base-Backbone interact. energy: -0.274
local terms energy: -61.453245
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -12.689
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -6.770
tors. eta vs tors. theta energy: -16.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -162.830332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.830332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.830332 (E_RNA)
where:
Base-Base interactions energy: -86.085
where: short stacking energy: -45.126
Base-Backbone interact. energy: 0.111
local terms energy: -76.856573
where:
bonds (distance) C4'-P energy: -17.750
bonds (distance) P-C4' energy: -18.926
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -10.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -177.368870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.368870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.368870 (E_RNA)
where:
Base-Base interactions energy: -110.381
where: short stacking energy: -51.619
Base-Backbone interact. energy: -0.279
local terms energy: -66.708582
where:
bonds (distance) C4'-P energy: -15.822
bonds (distance) P-C4' energy: -15.292
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -5.911
tors. eta vs tors. theta energy: -13.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -156.718185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.718185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.718185 (E_RNA)
where:
Base-Base interactions energy: -98.138
where: short stacking energy: -45.520
Base-Backbone interact. energy: -0.127
local terms energy: -58.452974
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -12.131
tors. eta vs tors. theta energy: -2.115
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: 1
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -88.649679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.649679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.649679 (E_RNA)
where:
Base-Base interactions energy: -30.787
where: short stacking energy: -30.684
Base-Backbone interact. energy: 0.279
local terms energy: -58.141421
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -17.945
flat angles P-C4'-P energy: -7.257
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: 4
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -88.946105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.946105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.946105 (E_RNA)
where:
Base-Base interactions energy: -30.286
where: short stacking energy: -30.286
Base-Backbone interact. energy: -0.092
local terms energy: -58.569006
where:
bonds (distance) C4'-P energy: -18.185
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -8.019
flat angles P-C4'-P energy: -7.347
tors. eta vs tors. theta energy: -7.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -243.603806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.603806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.603806 (E_RNA)
where:
Base-Base interactions energy: -156.671
where: short stacking energy: -80.400
Base-Backbone interact. energy: 0.205
local terms energy: -87.137799
where:
bonds (distance) C4'-P energy: -19.169
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -20.906
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -21.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -223.322345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.322345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.322345 (E_RNA)
where:
Base-Base interactions energy: -146.734
where: short stacking energy: -75.747
Base-Backbone interact. energy: -0.206
local terms energy: -76.382365
where:
bonds (distance) C4'-P energy: -17.604
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -17.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -206.072966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.072966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.072966 (E_RNA)
where:
Base-Base interactions energy: -125.786
where: short stacking energy: -64.834
Base-Backbone interact. energy: -0.116
local terms energy: -80.171002
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -19.846
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -17.630
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: 3
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -206.092765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.092765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.092765 (E_RNA)
where:
Base-Base interactions energy: -129.772
where: short stacking energy: -66.710
Base-Backbone interact. energy: 0.759
local terms energy: -77.080184
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -18.287
flat angles C4'-P-C4' energy: -16.759
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -15.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -174.023991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.023991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.023991 (E_RNA)
where:
Base-Base interactions energy: -104.008
where: short stacking energy: -60.989
Base-Backbone interact. energy: -0.053
local terms energy: -69.963318
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -15.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -170.704463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.704463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.704463 (E_RNA)
where:
Base-Base interactions energy: -97.479
where: short stacking energy: -42.487
Base-Backbone interact. energy: -0.380
local terms energy: -72.845963
where:
bonds (distance) C4'-P energy: -15.645
bonds (distance) P-C4' energy: -13.164
flat angles C4'-P-C4' energy: -20.260
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -14.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -168.622953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.622953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.622953 (E_RNA)
where:
Base-Base interactions energy: -102.356
where: short stacking energy: -54.930
Base-Backbone interact. energy: -0.138
local terms energy: -66.128809
where:
bonds (distance) C4'-P energy: -12.520
bonds (distance) P-C4' energy: -16.408
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -14.149
tors. eta vs tors. theta energy: -8.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -168.129487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.129487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.129487 (E_RNA)
where:
Base-Base interactions energy: -102.311
where: short stacking energy: -52.032
Base-Backbone interact. energy: -0.240
local terms energy: -65.578837
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -10.868
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -14.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -90.081720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.081720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.081720 (E_RNA)
where:
Base-Base interactions energy: -28.037
where: short stacking energy: -28.037
Base-Backbone interact. energy: 1.756
local terms energy: -63.801230
where:
bonds (distance) C4'-P energy: -16.313
bonds (distance) P-C4' energy: -19.606
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -4.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -96.734831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.734831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.734831 (E_RNA)
where:
Base-Base interactions energy: -48.433
where: short stacking energy: -27.491
Base-Backbone interact. energy: -0.827
local terms energy: -47.474653
where:
bonds (distance) C4'-P energy: -9.024
bonds (distance) P-C4' energy: -18.510
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -3.866
tors. eta vs tors. theta energy: -2.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -244.061328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.061328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.061328 (E_RNA)
where:
Base-Base interactions energy: -149.266
where: short stacking energy: -78.237
Base-Backbone interact. energy: -0.265
local terms energy: -94.530307
where:
bonds (distance) C4'-P energy: -19.078
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -19.320
flat angles P-C4'-P energy: -16.613
tors. eta vs tors. theta energy: -22.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -220.723433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.723433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.723433 (E_RNA)
where:
Base-Base interactions energy: -144.897
where: short stacking energy: -63.966
Base-Backbone interact. energy: -0.415
local terms energy: -75.411434
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -13.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -217.522959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.522959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.522959 (E_RNA)
where:
Base-Base interactions energy: -139.271
where: short stacking energy: -68.812
Base-Backbone interact. energy: -0.181
local terms energy: -78.071045
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -13.646
tors. eta vs tors. theta energy: -18.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -208.160895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.160895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.160895 (E_RNA)
where:
Base-Base interactions energy: -128.057
where: short stacking energy: -74.816
Base-Backbone interact. energy: -0.033
local terms energy: -80.070834
where:
bonds (distance) C4'-P energy: -18.521
bonds (distance) P-C4' energy: -19.567
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -16.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -163.659482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.659482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.659482 (E_RNA)
where:
Base-Base interactions energy: -88.835
where: short stacking energy: -48.159
Base-Backbone interact. energy: 0.153
local terms energy: -74.977727
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -18.594
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -13.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -188.334692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.334692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.334692 (E_RNA)
where:
Base-Base interactions energy: -117.549
where: short stacking energy: -59.053
Base-Backbone interact. energy: -0.031
local terms energy: -70.754856
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -8.937
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: 5
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -173.404929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.404929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.404929 (E_RNA)
where:
Base-Base interactions energy: -97.138
where: short stacking energy: -47.750
Base-Backbone interact. energy: -0.105
local terms energy: -76.162078
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -19.464
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -12.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -147.603236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.603236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.603236 (E_RNA)
where:
Base-Base interactions energy: -95.179
where: short stacking energy: -48.768
Base-Backbone interact. energy: 0.798
local terms energy: -53.222064
where:
bonds (distance) C4'-P energy: -9.039
bonds (distance) P-C4' energy: -19.402
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -6.107
tors. eta vs tors. theta energy: -4.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -89.254818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.254818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.254818 (E_RNA)
where:
Base-Base interactions energy: -26.227
where: short stacking energy: -25.133
Base-Backbone interact. energy: -0.175
local terms energy: -62.853132
where:
bonds (distance) C4'-P energy: -16.699
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -11.549
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: 1
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -87.997531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.997531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.997531 (E_RNA)
where:
Base-Base interactions energy: -41.817
where: short stacking energy: -23.880
Base-Backbone interact. energy: 0.003
local terms energy: -46.182996
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -8.445
flat angles C4'-P-C4' energy: -11.459
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -0.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -231.784992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.784992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.784992 (E_RNA)
where:
Base-Base interactions energy: -150.214
where: short stacking energy: -80.348
Base-Backbone interact. energy: -0.100
local terms energy: -81.470586
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -18.346
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -8.285
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: 8
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -220.521011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.521011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.521011 (E_RNA)
where:
Base-Base interactions energy: -134.972
where: short stacking energy: -83.546
Base-Backbone interact. energy: -0.268
local terms energy: -85.280828
where:
bonds (distance) C4'-P energy: -17.161
bonds (distance) P-C4' energy: -18.722
flat angles C4'-P-C4' energy: -17.276
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -22.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -220.862339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.862339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.862339 (E_RNA)
where:
Base-Base interactions energy: -136.021
where: short stacking energy: -61.239
Base-Backbone interact. energy: -0.183
local terms energy: -84.657904
where:
bonds (distance) C4'-P energy: -20.508
bonds (distance) P-C4' energy: -17.363
flat angles C4'-P-C4' energy: -18.924
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: -14.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -189.372305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.372305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.372305 (E_RNA)
where:
Base-Base interactions energy: -117.056
where: short stacking energy: -57.617
Base-Backbone interact. energy: -0.450
local terms energy: -71.866945
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -18.532
flat angles P-C4'-P energy: -6.925
tors. eta vs tors. theta energy: -15.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -183.755486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.755486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.755486 (E_RNA)
where:
Base-Base interactions energy: -110.314
where: short stacking energy: -51.344
Base-Backbone interact. energy: -0.038
local terms energy: -73.404376
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -16.212
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -15.162
tors. eta vs tors. theta energy: -12.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -183.609809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.609809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.609809 (E_RNA)
where:
Base-Base interactions energy: -106.254
where: short stacking energy: -52.635
Base-Backbone interact. energy: -0.977
local terms energy: -76.378871
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -19.862
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -13.428
tors. eta vs tors. theta energy: -15.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -170.805540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.805540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.805540 (E_RNA)
where:
Base-Base interactions energy: -101.861
where: short stacking energy: -47.348
Base-Backbone interact. energy: -0.089
local terms energy: -68.855514
where:
bonds (distance) C4'-P energy: -16.327
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -13.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -157.191494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.191494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.191494 (E_RNA)
where:
Base-Base interactions energy: -97.762
where: short stacking energy: -54.798
Base-Backbone interact. energy: -0.609
local terms energy: -58.821365
where:
bonds (distance) C4'-P energy: -11.251
bonds (distance) P-C4' energy: -18.600
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -8.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -96.841781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.841781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.841781 (E_RNA)
where:
Base-Base interactions energy: -39.773
where: short stacking energy: -35.208
Base-Backbone interact. energy: -0.177
local terms energy: -56.891992
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -15.101
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -13.614
tors. eta vs tors. theta energy: 3.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -86.148294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.148294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.148294 (E_RNA)
where:
Base-Base interactions energy: -35.877
where: short stacking energy: -35.793
Base-Backbone interact. energy: -0.119
local terms energy: -50.152528
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -15.338
flat angles C4'-P-C4' energy: -11.782
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -1.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -230.434608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.434608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.434608 (E_RNA)
where:
Base-Base interactions energy: -147.202
where: short stacking energy: -67.261
Base-Backbone interact. energy: -0.141
local terms energy: -83.092042
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -19.247
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -21.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -221.677802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.677802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.677802 (E_RNA)
where:
Base-Base interactions energy: -138.484
where: short stacking energy: -75.225
Base-Backbone interact. energy: -0.172
local terms energy: -83.021899
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: -21.882
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: 9
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -215.567818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.567818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.567818 (E_RNA)
where:
Base-Base interactions energy: -136.220
where: short stacking energy: -63.442
Base-Backbone interact. energy: -0.826
local terms energy: -78.521184
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -12.675
tors. eta vs tors. theta energy: -17.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -204.485197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.485197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.485197 (E_RNA)
where:
Base-Base interactions energy: -125.066
where: short stacking energy: -61.399
Base-Backbone interact. energy: -0.586
local terms energy: -78.833333
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -17.791
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -8.048
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: 10
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -197.136490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.136490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.136490 (E_RNA)
where:
Base-Base interactions energy: -119.875
where: short stacking energy: -66.376
Base-Backbone interact. energy: -0.154
local terms energy: -77.107575
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -11.054
flat angles C4'-P-C4' energy: -17.250
flat angles P-C4'-P energy: -13.838
tors. eta vs tors. theta energy: -20.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -184.863739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.863739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.863739 (E_RNA)
where:
Base-Base interactions energy: -119.229
where: short stacking energy: -60.547
Base-Backbone interact. energy: -0.175
local terms energy: -65.459411
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -11.470
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -14.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -182.417450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.417450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.417450 (E_RNA)
where:
Base-Base interactions energy: -105.178
where: short stacking energy: -50.986
Base-Backbone interact. energy: -0.007
local terms energy: -77.232518
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -16.939
flat angles P-C4'-P energy: -13.808
tors. eta vs tors. theta energy: -17.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -154.012360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.012360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.012360 (E_RNA)
where:
Base-Base interactions energy: -89.801
where: short stacking energy: -46.350
Base-Backbone interact. energy: -0.003
local terms energy: -64.208437
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -6.604
tors. eta vs tors. theta energy: -12.688
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: 9, replica: 1
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -101.837306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.837306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.837306 (E_RNA)
where:
Base-Base interactions energy: -37.992
where: short stacking energy: -29.501
Base-Backbone interact. energy: 2.267
local terms energy: -66.112756
where:
bonds (distance) C4'-P energy: -16.273
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -14.030
tors. eta vs tors. theta energy: -4.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -91.592235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.592235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.592235 (E_RNA)
where:
Base-Base interactions energy: -44.319
where: short stacking energy: -34.781
Base-Backbone interact. energy: -0.520
local terms energy: -46.753269
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -12.189
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -3.518
tors. eta vs tors. theta energy: -2.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -236.953555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.953555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.953555 (E_RNA)
where:
Base-Base interactions energy: -154.762
where: short stacking energy: -77.506
Base-Backbone interact. energy: -0.327
local terms energy: -81.864673
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -20.415
flat angles C4'-P-C4' energy: -18.130
flat angles P-C4'-P energy: -12.700
tors. eta vs tors. theta energy: -18.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -220.193820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.193820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.193820 (E_RNA)
where:
Base-Base interactions energy: -134.837
where: short stacking energy: -73.826
Base-Backbone interact. energy: 0.352
local terms energy: -85.708861
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -19.740
flat angles P-C4'-P energy: -12.835
tors. eta vs tors. theta energy: -23.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -221.393760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.393760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.393760 (E_RNA)
where:
Base-Base interactions energy: -137.309
where: short stacking energy: -70.971
Base-Backbone interact. energy: -0.056
local terms energy: -84.028664
where:
bonds (distance) C4'-P energy: -18.098
bonds (distance) P-C4' energy: -17.730
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -19.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -205.872831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.872831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.872831 (E_RNA)
where:
Base-Base interactions energy: -127.052
where: short stacking energy: -58.774
Base-Backbone interact. energy: -0.507
local terms energy: -78.313716
where:
bonds (distance) C4'-P energy: -17.745
bonds (distance) P-C4' energy: -16.009
flat angles C4'-P-C4' energy: -17.298
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -13.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -188.755488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.755488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.755488 (E_RNA)
where:
Base-Base interactions energy: -103.850
where: short stacking energy: -56.594
Base-Backbone interact. energy: -0.018
local terms energy: -84.887226
where:
bonds (distance) C4'-P energy: -16.637
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -21.136
flat angles P-C4'-P energy: -11.693
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: 6, replica: 6
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -181.006168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.006168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.006168 (E_RNA)
where:
Base-Base interactions energy: -108.066
where: short stacking energy: -57.016
Base-Backbone interact. energy: -0.090
local terms energy: -72.850194
where:
bonds (distance) C4'-P energy: -18.549
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -13.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -167.549101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.549101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.549101 (E_RNA)
where:
Base-Base interactions energy: -106.818
where: short stacking energy: -55.103
Base-Backbone interact. energy: -0.070
local terms energy: -60.660586
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -12.119
flat angles C4'-P-C4' energy: -11.575
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -11.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -160.561782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.561782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.561782 (E_RNA)
where:
Base-Base interactions energy: -88.461
where: short stacking energy: -46.845
Base-Backbone interact. energy: -0.206
local terms energy: -71.894223
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -12.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -86.343704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.343704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.343704 (E_RNA)
where:
Base-Base interactions energy: -39.081
where: short stacking energy: -24.235
Base-Backbone interact. energy: -0.201
local terms energy: -47.062447
where:
bonds (distance) C4'-P energy: -16.121
bonds (distance) P-C4' energy: -13.337
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -4.069
tors. eta vs tors. theta energy: 0.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -90.339804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.339804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.339804 (E_RNA)
where:
Base-Base interactions energy: -34.567
where: short stacking energy: -34.567
Base-Backbone interact. energy: -0.085
local terms energy: -55.687924
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -11.653
flat angles P-C4'-P energy: -10.648
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: 1, replica: 2
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -236.559367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.559367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.559367 (E_RNA)
where:
Base-Base interactions energy: -156.813
where: short stacking energy: -72.045
Base-Backbone interact. energy: 0.136
local terms energy: -79.882602
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -11.286
tors. eta vs tors. theta energy: -19.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -216.352719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.352719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.352719 (E_RNA)
where:
Base-Base interactions energy: -134.969
where: short stacking energy: -56.329
Base-Backbone interact. energy: -0.260
local terms energy: -81.123467
where:
bonds (distance) C4'-P energy: -17.112
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -18.279
flat angles P-C4'-P energy: -13.432
tors. eta vs tors. theta energy: -16.457
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: 8
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -225.291598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.291598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.291598 (E_RNA)
where:
Base-Base interactions energy: -147.328
where: short stacking energy: -67.244
Base-Backbone interact. energy: -0.118
local terms energy: -77.845845
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -18.455
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -16.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -187.902960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.902960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.902960 (E_RNA)
where:
Base-Base interactions energy: -118.677
where: short stacking energy: -43.803
Base-Backbone interact. energy: 0.254
local terms energy: -69.480457
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -17.664
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -9.388
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: 5, replica: 10
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -192.570253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.570253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.570253 (E_RNA)
where:
Base-Base interactions energy: -114.202
where: short stacking energy: -65.553
Base-Backbone interact. energy: 0.954
local terms energy: -79.322059
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -18.338
flat angles C4'-P-C4' energy: -19.641
flat angles P-C4'-P energy: -11.449
tors. eta vs tors. theta energy: -13.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -190.772666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.772666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.772666 (E_RNA)
where:
Base-Base interactions energy: -113.824
where: short stacking energy: -59.976
Base-Backbone interact. energy: -0.094
local terms energy: -76.854701
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: -13.182
tors. eta vs tors. theta energy: -16.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -156.743767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.743767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.743767 (E_RNA)
where:
Base-Base interactions energy: -91.822
where: short stacking energy: -41.283
Base-Backbone interact. energy: 0.114
local terms energy: -65.035715
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -16.735
flat angles C4'-P-C4' energy: -11.854
flat angles P-C4'-P energy: -12.382
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: 8, replica: 5
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -160.807668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.807668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.807668 (E_RNA)
where:
Base-Base interactions energy: -95.951
where: short stacking energy: -51.040
Base-Backbone interact. energy: -0.029
local terms energy: -64.827975
where:
bonds (distance) C4'-P energy: -10.372
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -14.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -99.950499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.950499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.950499 (E_RNA)
where:
Base-Base interactions energy: -42.013
where: short stacking energy: -31.916
Base-Backbone interact. energy: -0.077
local terms energy: -57.860092
where:
bonds (distance) C4'-P energy: -8.658
bonds (distance) P-C4' energy: -18.005
flat angles C4'-P-C4' energy: -19.511
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -1.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -92.289649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.289649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.289649 (E_RNA)
where:
Base-Base interactions energy: -52.095
where: short stacking energy: -43.797
Base-Backbone interact. energy: -0.230
local terms energy: -39.965035
where:
bonds (distance) C4'-P energy: -7.528
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -3.851
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -6.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -230.146495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.146495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.146495 (E_RNA)
where:
Base-Base interactions energy: -146.936
where: short stacking energy: -67.782
Base-Backbone interact. energy: -0.099
local terms energy: -83.111752
where:
bonds (distance) C4'-P energy: -17.510
bonds (distance) P-C4' energy: -18.760
flat angles C4'-P-C4' energy: -18.949
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -18.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -227.133139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.133139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.133139 (E_RNA)
where:
Base-Base interactions energy: -149.289
where: short stacking energy: -75.187
Base-Backbone interact. energy: -0.043
local terms energy: -77.801558
where:
bonds (distance) C4'-P energy: -18.218
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -18.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -233.999461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.999461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.999461 (E_RNA)
where:
Base-Base interactions energy: -156.877
where: short stacking energy: -74.652
Base-Backbone interact. energy: -0.107
local terms energy: -77.015907
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -20.616
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -16.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -186.477245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.477245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.477245 (E_RNA)
where:
Base-Base interactions energy: -115.891
where: short stacking energy: -57.112
Base-Backbone interact. energy: -0.064
local terms energy: -70.522713
where:
bonds (distance) C4'-P energy: -18.665
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -12.784
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -14.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -194.969699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.969699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.969699 (E_RNA)
where:
Base-Base interactions energy: -121.857
where: short stacking energy: -65.305
Base-Backbone interact. energy: -0.133
local terms energy: -72.979487
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -18.933
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -14.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -180.166669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.166669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.166669 (E_RNA)
where:
Base-Base interactions energy: -103.542
where: short stacking energy: -48.280
Base-Backbone interact. energy: -0.054
local terms energy: -76.570372
where:
bonds (distance) C4'-P energy: -17.969
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -12.735
tors. eta vs tors. theta energy: -15.687
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: 7, replica: 5
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -166.515218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.515218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.515218 (E_RNA)
where:
Base-Base interactions energy: -99.099
where: short stacking energy: -47.915
Base-Backbone interact. energy: 0.228
local terms energy: -67.643980
where:
bonds (distance) C4'-P energy: -15.528
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: -15.829
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: 204
Temperature: 1.250000
Total energy: -160.793343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.793343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.793343 (E_RNA)
where:
Base-Base interactions energy: -100.309
where: short stacking energy: -49.091
Base-Backbone interact. energy: 0.706
local terms energy: -61.189925
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -10.934
flat angles P-C4'-P energy: -9.892
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: 9, replica: 4
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -106.570188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.570188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.570188 (E_RNA)
where:
Base-Base interactions energy: -38.082
where: short stacking energy: -34.247
Base-Backbone interact. energy: -0.053
local terms energy: -68.434516
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -18.290
flat angles P-C4'-P energy: -14.773
tors. eta vs tors. theta energy: -7.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -88.541275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.541275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.541275 (E_RNA)
where:
Base-Base interactions energy: -29.323
where: short stacking energy: -25.724
Base-Backbone interact. energy: -0.144
local terms energy: -59.074797
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -19.525
flat angles C4'-P-C4' energy: -12.924
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -3.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -241.296625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.296625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.296625 (E_RNA)
where:
Base-Base interactions energy: -158.692
where: short stacking energy: -71.388
Base-Backbone interact. energy: -0.048
local terms energy: -82.556558
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -20.930
flat angles C4'-P-C4' energy: -20.115
flat angles P-C4'-P energy: -6.982
tors. eta vs tors. theta energy: -19.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -236.166284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.166284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.166284 (E_RNA)
where:
Base-Base interactions energy: -159.195
where: short stacking energy: -74.459
Base-Backbone interact. energy: -0.126
local terms energy: -76.845276
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -17.378
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: 2
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -216.443208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.443208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.443208 (E_RNA)
where:
Base-Base interactions energy: -141.433
where: short stacking energy: -70.817
Base-Backbone interact. energy: -0.090
local terms energy: -74.921079
where:
bonds (distance) C4'-P energy: -17.357
bonds (distance) P-C4' energy: -15.422
flat angles C4'-P-C4' energy: -18.548
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -16.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -187.363272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.363272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.363272 (E_RNA)
where:
Base-Base interactions energy: -123.942
where: short stacking energy: -57.968
Base-Backbone interact. energy: 0.220
local terms energy: -63.641479
where:
bonds (distance) C4'-P energy: -8.998
bonds (distance) P-C4' energy: -13.774
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -15.268
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: 3
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -167.212217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.212217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.212217 (E_RNA)
where:
Base-Base interactions energy: -100.945
where: short stacking energy: -49.424
Base-Backbone interact. energy: -0.206
local terms energy: -66.060436
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -18.637
flat angles P-C4'-P energy: -6.110
tors. eta vs tors. theta energy: -11.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -176.199706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.199706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.199706 (E_RNA)
where:
Base-Base interactions energy: -110.647
where: short stacking energy: -47.160
Base-Backbone interact. energy: -0.115
local terms energy: -65.437600
where:
bonds (distance) C4'-P energy: -13.099
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -13.856
tors. eta vs tors. theta energy: -5.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -150.671336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.671336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.671336 (E_RNA)
where:
Base-Base interactions energy: -91.275
where: short stacking energy: -44.005
Base-Backbone interact. energy: -0.683
local terms energy: -58.713186
where:
bonds (distance) C4'-P energy: -17.639
bonds (distance) P-C4' energy: -17.042
flat angles C4'-P-C4' energy: -11.189
flat angles P-C4'-P energy: -7.909
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: 8, replica: 6
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -165.422121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.422121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.422121 (E_RNA)
where:
Base-Base interactions energy: -96.291
where: short stacking energy: -42.502
Base-Backbone interact. energy: -0.120
local terms energy: -69.011507
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -15.347
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -15.004
tors. eta vs tors. theta energy: -9.507
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: 9, replica: 4
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -105.044913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.044913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.044913 (E_RNA)
where:
Base-Base interactions energy: -40.508
where: short stacking energy: -38.018
Base-Backbone interact. energy: -0.025
local terms energy: -64.511942
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -12.259
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -12.727
tors. eta vs tors. theta energy: -7.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -75.211504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.211504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.211504 (E_RNA)
where:
Base-Base interactions energy: -32.955
where: short stacking energy: -15.886
Base-Backbone interact. energy: -0.662
local terms energy: -41.594216
where:
bonds (distance) C4'-P energy: -11.431
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -5.225
tors. eta vs tors. theta energy: 5.660
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: 1, replica: 8
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -236.870466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.870466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.870466 (E_RNA)
where:
Base-Base interactions energy: -161.084
where: short stacking energy: -72.212
Base-Backbone interact. energy: -0.038
local terms energy: -75.748692
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -20.618
flat angles P-C4'-P energy: -5.336
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: 2, replica: 9
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -225.205066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.205066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.205066 (E_RNA)
where:
Base-Base interactions energy: -149.758
where: short stacking energy: -74.224
Base-Backbone interact. energy: -0.170
local terms energy: -75.277146
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -18.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -219.821387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.821387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.821387 (E_RNA)
where:
Base-Base interactions energy: -137.971
where: short stacking energy: -68.656
Base-Backbone interact. energy: -0.153
local terms energy: -81.697681
where:
bonds (distance) C4'-P energy: -18.049
bonds (distance) P-C4' energy: -19.653
flat angles C4'-P-C4' energy: -16.680
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -16.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -197.875671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.875671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.875671 (E_RNA)
where:
Base-Base interactions energy: -122.719
where: short stacking energy: -59.300
Base-Backbone interact. energy: -0.114
local terms energy: -75.043379
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -11.044
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: 5, replica: 5
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -183.676184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.676184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.676184 (E_RNA)
where:
Base-Base interactions energy: -109.562
where: short stacking energy: -50.496
Base-Backbone interact. energy: -0.226
local terms energy: -73.887411
where:
bonds (distance) C4'-P energy: -17.729
bonds (distance) P-C4' energy: -16.996
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -16.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -177.658287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.658287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.658287 (E_RNA)
where:
Base-Base interactions energy: -108.833
where: short stacking energy: -55.853
Base-Backbone interact. energy: -0.092
local terms energy: -68.732686
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -13.204
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -12.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -150.977936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.977936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.977936 (E_RNA)
where:
Base-Base interactions energy: -89.430
where: short stacking energy: -45.595
Base-Backbone interact. energy: -0.396
local terms energy: -61.152391
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -18.558
flat angles P-C4'-P energy: -8.117
tors. eta vs tors. theta energy: -7.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -159.025262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.025262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.025262 (E_RNA)
where:
Base-Base interactions energy: -96.910
where: short stacking energy: -47.558
Base-Backbone interact. energy: -0.360
local terms energy: -61.754740
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -9.507
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: 9, replica: 1
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -92.546943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.546943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.546943 (E_RNA)
where:
Base-Base interactions energy: -38.635
where: short stacking energy: -33.607
Base-Backbone interact. energy: -0.284
local terms energy: -53.627963
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -16.553
flat angles C4'-P-C4' energy: -9.883
flat angles P-C4'-P energy: -11.220
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: 10, replica: 4
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -90.626654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.626654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.626654 (E_RNA)
where:
Base-Base interactions energy: -32.386
where: short stacking energy: -32.386
Base-Backbone interact. energy: 0.451
local terms energy: -58.692209
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -10.439
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: 1, replica: 8
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -239.182937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.182937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.182937 (E_RNA)
where:
Base-Base interactions energy: -157.808
where: short stacking energy: -69.843
Base-Backbone interact. energy: -0.128
local terms energy: -81.247047
where:
bonds (distance) C4'-P energy: -17.332
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -21.102
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -15.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -232.263166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.263166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.263166 (E_RNA)
where:
Base-Base interactions energy: -144.258
where: short stacking energy: -75.199
Base-Backbone interact. energy: -0.045
local terms energy: -87.960384
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -18.271
flat angles C4'-P-C4' energy: -19.352
flat angles P-C4'-P energy: -13.275
tors. eta vs tors. theta energy: -20.987
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: 9
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -226.941518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.941518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.941518 (E_RNA)
where:
Base-Base interactions energy: -145.898
where: short stacking energy: -74.858
Base-Backbone interact. energy: -0.117
local terms energy: -80.927184
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -22.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -186.643549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.643549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.643549 (E_RNA)
where:
Base-Base interactions energy: -117.168
where: short stacking energy: -63.107
Base-Backbone interact. energy: -0.423
local terms energy: -69.052657
where:
bonds (distance) C4'-P energy: -15.627
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -13.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -204.092697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.092697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.092697 (E_RNA)
where:
Base-Base interactions energy: -127.878
where: short stacking energy: -67.836
Base-Backbone interact. energy: 2.420
local terms energy: -78.634201
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: -17.636
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: 10
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -165.323091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.323091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.323091 (E_RNA)
where:
Base-Base interactions energy: -92.889
where: short stacking energy: -53.194
Base-Backbone interact. energy: -0.421
local terms energy: -72.013592
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -14.947
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -10.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -170.599747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.599747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.599747 (E_RNA)
where:
Base-Base interactions energy: -109.035
where: short stacking energy: -58.095
Base-Backbone interact. energy: -0.168
local terms energy: -61.396719
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -14.760
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -5.286
tors. eta vs tors. theta energy: -15.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -118.556907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.556907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.556907 (E_RNA)
where:
Base-Base interactions energy: -47.010
where: short stacking energy: -47.010
Base-Backbone interact. energy: -0.082
local terms energy: -71.465033
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -17.392
flat angles C4'-P-C4' energy: -17.619
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -12.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -95.725662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.725662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.725662 (E_RNA)
where:
Base-Base interactions energy: -36.093
where: short stacking energy: -36.093
Base-Backbone interact. energy: -0.058
local terms energy: -59.575437
where:
bonds (distance) C4'-P energy: -17.631
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -10.617
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -7.512
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: 4
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -99.021348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.021348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.021348 (E_RNA)
where:
Base-Base interactions energy: -38.556
where: short stacking energy: -38.556
Base-Backbone interact. energy: -0.046
local terms energy: -60.419206
where:
bonds (distance) C4'-P energy: -15.338
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -10.242
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: 8
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -240.266845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.266845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.266845 (E_RNA)
where:
Base-Base interactions energy: -156.512
where: short stacking energy: -77.495
Base-Backbone interact. energy: -0.159
local terms energy: -83.595447
where:
bonds (distance) C4'-P energy: -12.767
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -18.160
flat angles P-C4'-P energy: -14.150
tors. eta vs tors. theta energy: -20.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -223.238069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.238069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.238069 (E_RNA)
where:
Base-Base interactions energy: -143.809
where: short stacking energy: -77.773
Base-Backbone interact. energy: -0.232
local terms energy: -79.197311
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -18.925
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -20.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -216.289011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.289011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.289011 (E_RNA)
where:
Base-Base interactions energy: -139.426
where: short stacking energy: -70.295
Base-Backbone interact. energy: -0.080
local terms energy: -76.783213
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -17.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -189.267785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.267785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.267785 (E_RNA)
where:
Base-Base interactions energy: -116.245
where: short stacking energy: -60.722
Base-Backbone interact. energy: 0.679
local terms energy: -73.701685
where:
bonds (distance) C4'-P energy: -14.204
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -18.420
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -12.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -191.119560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.119560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.119560 (E_RNA)
where:
Base-Base interactions energy: -120.692
where: short stacking energy: -58.194
Base-Backbone interact. energy: -0.041
local terms energy: -70.386307
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -19.072
flat angles C4'-P-C4' energy: -16.772
flat angles P-C4'-P energy: -6.426
tors. eta vs tors. theta energy: -16.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -169.318789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.318789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.318789 (E_RNA)
where:
Base-Base interactions energy: -100.881
where: short stacking energy: -49.810
Base-Backbone interact. energy: 0.289
local terms energy: -68.726125
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -7.519
tors. eta vs tors. theta energy: -13.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -162.442445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.442445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.442445 (E_RNA)
where:
Base-Base interactions energy: -102.290
where: short stacking energy: -43.472
Base-Backbone interact. energy: 0.942
local terms energy: -61.094715
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -13.481
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: -8.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -94.350725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.350725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.350725 (E_RNA)
where:
Base-Base interactions energy: -30.100
where: short stacking energy: -28.718
Base-Backbone interact. energy: -0.193
local terms energy: -64.058226
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -20.638
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -5.426
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: 208
Temperature: 1.300000
Total energy: -90.625630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.625630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.625630 (E_RNA)
where:
Base-Base interactions energy: -39.721
where: short stacking energy: -28.409
Base-Backbone interact. energy: -0.165
local terms energy: -50.739786
where:
bonds (distance) C4'-P energy: -18.437
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -6.424
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -3.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -81.358810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.358810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.358810 (E_RNA)
where:
Base-Base interactions energy: -36.803
where: short stacking energy: -22.841
Base-Backbone interact. energy: 0.075
local terms energy: -44.631498
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -13.315
flat angles C4'-P-C4' energy: -14.095
flat angles P-C4'-P energy: -7.831
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: 1, replica: 8
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -235.572185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.572185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.572185 (E_RNA)
where:
Base-Base interactions energy: -160.874
where: short stacking energy: -75.132
Base-Backbone interact. energy: -0.100
local terms energy: -74.598925
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -15.168
flat angles C4'-P-C4' energy: -18.975
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -14.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -222.847849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.847849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.847849 (E_RNA)
where:
Base-Base interactions energy: -145.031
where: short stacking energy: -59.203
Base-Backbone interact. energy: -0.231
local terms energy: -77.585431
where:
bonds (distance) C4'-P energy: -17.663
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -20.109
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -13.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -220.052357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.052357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.052357 (E_RNA)
where:
Base-Base interactions energy: -144.242
where: short stacking energy: -66.063
Base-Backbone interact. energy: 0.903
local terms energy: -76.713633
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -16.800
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -8.440
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: 5
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -195.312130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.312130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.312130 (E_RNA)
where:
Base-Base interactions energy: -121.762
where: short stacking energy: -73.230
Base-Backbone interact. energy: -0.183
local terms energy: -73.367028
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -18.937
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -20.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -200.937304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.937304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.937304 (E_RNA)
where:
Base-Base interactions energy: -116.390
where: short stacking energy: -56.195
Base-Backbone interact. energy: -0.373
local terms energy: -84.174135
where:
bonds (distance) C4'-P energy: -19.601
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -18.489
flat angles P-C4'-P energy: -13.373
tors. eta vs tors. theta energy: -15.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -173.596732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.596732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.596732 (E_RNA)
where:
Base-Base interactions energy: -107.256
where: short stacking energy: -52.015
Base-Backbone interact. energy: 0.587
local terms energy: -66.927259
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -6.795
tors. eta vs tors. theta energy: -12.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -170.558025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.558025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.558025 (E_RNA)
where:
Base-Base interactions energy: -102.647
where: short stacking energy: -49.509
Base-Backbone interact. energy: -0.003
local terms energy: -67.907886
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -9.254
flat angles P-C4'-P energy: -13.417
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: 8, replica: 1
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -94.361176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.361176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.361176 (E_RNA)
where:
Base-Base interactions energy: -41.602
where: short stacking energy: -35.313
Base-Backbone interact. energy: 0.075
local terms energy: -52.834215
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -7.181
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -6.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -85.218826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.218826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.218826 (E_RNA)
where:
Base-Base interactions energy: -25.084
where: short stacking energy: -23.089
Base-Backbone interact. energy: -0.071
local terms energy: -60.063922
where:
bonds (distance) C4'-P energy: -11.915
bonds (distance) P-C4' energy: -20.687
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: 0.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -84.985043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.985043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.985043 (E_RNA)
where:
Base-Base interactions energy: -22.296
where: short stacking energy: -19.641
Base-Backbone interact. energy: -0.238
local terms energy: -62.451015
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -14.760
flat angles C4'-P-C4' energy: -17.515
flat angles P-C4'-P energy: -12.761
tors. eta vs tors. theta energy: -4.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -236.023849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.023849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.023849 (E_RNA)
where:
Base-Base interactions energy: -152.042
where: short stacking energy: -69.085
Base-Backbone interact. energy: -0.109
local terms energy: -83.872894
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -20.598
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -17.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -230.299124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.299124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.299124 (E_RNA)
where:
Base-Base interactions energy: -151.937
where: short stacking energy: -68.790
Base-Backbone interact. energy: 0.221
local terms energy: -78.583874
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -18.649
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -15.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -198.443640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.443640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.443640 (E_RNA)
where:
Base-Base interactions energy: -119.043
where: short stacking energy: -61.743
Base-Backbone interact. energy: -0.170
local terms energy: -79.230978
where:
bonds (distance) C4'-P energy: -18.778
bonds (distance) P-C4' energy: -17.725
flat angles C4'-P-C4' energy: -18.096
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -15.458
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: 4, replica: 2
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -199.203392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.203392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.203392 (E_RNA)
where:
Base-Base interactions energy: -124.563
where: short stacking energy: -69.430
Base-Backbone interact. energy: -0.015
local terms energy: -74.625616
where:
bonds (distance) C4'-P energy: -8.821
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -14.949
tors. eta vs tors. theta energy: -15.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -182.193837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.193837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.193837 (E_RNA)
where:
Base-Base interactions energy: -116.637
where: short stacking energy: -59.560
Base-Backbone interact. energy: -0.893
local terms energy: -64.663927
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -12.719
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -10.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -175.725193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.725193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.725193 (E_RNA)
where:
Base-Base interactions energy: -105.073
where: short stacking energy: -56.547
Base-Backbone interact. energy: -0.365
local terms energy: -70.286688
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -7.159
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: 7, replica: 3
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -167.042012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.042012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.042012 (E_RNA)
where:
Base-Base interactions energy: -113.934
where: short stacking energy: -50.976
Base-Backbone interact. energy: -0.110
local terms energy: -52.997559
where:
bonds (distance) C4'-P energy: -9.711
bonds (distance) P-C4' energy: -7.214
flat angles C4'-P-C4' energy: -16.388
flat angles P-C4'-P energy: -9.380
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: 8, replica: 1
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -136.984937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.984937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.984937 (E_RNA)
where:
Base-Base interactions energy: -70.316
where: short stacking energy: -40.484
Base-Backbone interact. energy: 2.238
local terms energy: -68.907099
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -11.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -91.301716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.301716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.301716 (E_RNA)
where:
Base-Base interactions energy: -28.567
where: short stacking energy: -17.552
Base-Backbone interact. energy: -0.165
local terms energy: -62.570394
where:
bonds (distance) C4'-P energy: -17.348
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -3.076
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: 6
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -85.963926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.963926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.963926 (E_RNA)
where:
Base-Base interactions energy: -36.196
where: short stacking energy: -24.142
Base-Backbone interact. energy: -0.300
local terms energy: -49.467837
where:
bonds (distance) C4'-P energy: -12.394
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -7.923
tors. eta vs tors. theta energy: 3.887
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: 8
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -239.730521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.730521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.730521 (E_RNA)
where:
Base-Base interactions energy: -153.233
where: short stacking energy: -71.401
Base-Backbone interact. energy: -0.117
local terms energy: -86.380057
where:
bonds (distance) C4'-P energy: -18.213
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -19.264
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -20.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -236.696782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.696782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.696782 (E_RNA)
where:
Base-Base interactions energy: -144.959
where: short stacking energy: -73.615
Base-Backbone interact. energy: 1.152
local terms energy: -92.889271
where:
bonds (distance) C4'-P energy: -15.640
bonds (distance) P-C4' energy: -20.416
flat angles C4'-P-C4' energy: -19.233
flat angles P-C4'-P energy: -13.548
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: 5
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -206.485297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.485297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.485297 (E_RNA)
where:
Base-Base interactions energy: -129.790
where: short stacking energy: -65.267
Base-Backbone interact. energy: -0.134
local terms energy: -76.561157
where:
bonds (distance) C4'-P energy: -17.669
bonds (distance) P-C4' energy: -17.694
flat angles C4'-P-C4' energy: -9.627
flat angles P-C4'-P energy: -14.184
tors. eta vs tors. theta energy: -17.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -205.706073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.706073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.706073 (E_RNA)
where:
Base-Base interactions energy: -123.225
where: short stacking energy: -68.916
Base-Backbone interact. energy: -0.007
local terms energy: -82.474475
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -14.122
flat angles C4'-P-C4' energy: -19.883
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -21.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -187.244370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.244370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.244370 (E_RNA)
where:
Base-Base interactions energy: -118.206
where: short stacking energy: -62.631
Base-Backbone interact. energy: -0.144
local terms energy: -68.894740
where:
bonds (distance) C4'-P energy: -10.564
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -17.811
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -14.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -178.796230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.796230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.796230 (E_RNA)
where:
Base-Base interactions energy: -110.268
where: short stacking energy: -45.468
Base-Backbone interact. energy: -0.032
local terms energy: -68.496521
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -10.492
flat angles C4'-P-C4' energy: -18.349
flat angles P-C4'-P energy: -14.420
tors. eta vs tors. theta energy: -11.125
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: 7
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -165.194471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.194471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.194471 (E_RNA)
where:
Base-Base interactions energy: -105.800
where: short stacking energy: -44.700
Base-Backbone interact. energy: 0.911
local terms energy: -60.305250
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -7.929
tors. eta vs tors. theta energy: -11.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -154.143771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.143771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.143771 (E_RNA)
where:
Base-Base interactions energy: -91.328
where: short stacking energy: -46.178
Base-Backbone interact. energy: -0.131
local terms energy: -62.684719
where:
bonds (distance) C4'-P energy: -18.984
bonds (distance) P-C4' energy: -18.551
flat angles C4'-P-C4' energy: -10.555
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -3.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -98.821202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.821202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.821202 (E_RNA)
where:
Base-Base interactions energy: -48.282
where: short stacking energy: -35.554
Base-Backbone interact. energy: -0.502
local terms energy: -50.036963
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -8.105
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -2.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -95.526563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.526563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.526563 (E_RNA)
where:
Base-Base interactions energy: -35.514
where: short stacking energy: -31.885
Base-Backbone interact. energy: 0.997
local terms energy: -61.009527
where:
bonds (distance) C4'-P energy: -8.279
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -18.567
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -5.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -225.579323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.579323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.579323 (E_RNA)
where:
Base-Base interactions energy: -140.945
where: short stacking energy: -75.085
Base-Backbone interact. energy: -0.176
local terms energy: -84.458625
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -19.588
flat angles C4'-P-C4' energy: -20.309
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -19.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -221.011164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.011164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.011164 (E_RNA)
where:
Base-Base interactions energy: -150.872
where: short stacking energy: -73.772
Base-Backbone interact. energy: -0.055
local terms energy: -70.084007
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -15.453
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -11.291
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: 3, replica: 2
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -211.766529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.766529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.766529 (E_RNA)
where:
Base-Base interactions energy: -140.393
where: short stacking energy: -69.995
Base-Backbone interact. energy: -0.056
local terms energy: -71.317437
where:
bonds (distance) C4'-P energy: -10.906
bonds (distance) P-C4' energy: -17.744
flat angles C4'-P-C4' energy: -16.983
flat angles P-C4'-P energy: -7.986
tors. eta vs tors. theta energy: -17.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -188.803196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.803196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.803196 (E_RNA)
where:
Base-Base interactions energy: -120.106
where: short stacking energy: -60.200
Base-Backbone interact. energy: -0.096
local terms energy: -68.601322
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -19.236
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -9.872
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: 212
Temperature: 1.100000
Total energy: -196.459571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.459571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.459571 (E_RNA)
where:
Base-Base interactions energy: -116.190
where: short stacking energy: -60.639
Base-Backbone interact. energy: -0.071
local terms energy: -80.198929
where:
bonds (distance) C4'-P energy: -17.391
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -19.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -171.652943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.652943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.652943 (E_RNA)
where:
Base-Base interactions energy: -108.718
where: short stacking energy: -48.386
Base-Backbone interact. energy: -0.143
local terms energy: -62.791850
where:
bonds (distance) C4'-P energy: -13.860
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -17.024
flat angles P-C4'-P energy: -5.638
tors. eta vs tors. theta energy: -8.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -188.766568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.766568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.766568 (E_RNA)
where:
Base-Base interactions energy: -122.142
where: short stacking energy: -60.424
Base-Backbone interact. energy: -0.017
local terms energy: -66.608052
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: -16.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -164.959036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.959036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.959036 (E_RNA)
where:
Base-Base interactions energy: -97.161
where: short stacking energy: -44.027
Base-Backbone interact. energy: 0.239
local terms energy: -68.036630
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -17.350
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -12.807
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: 212
Temperature: 1.300000
Total energy: -93.905762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.905762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.905762 (E_RNA)
where:
Base-Base interactions energy: -54.341
where: short stacking energy: -34.924
Base-Backbone interact. energy: -0.112
local terms energy: -39.452667
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -5.724
flat angles P-C4'-P energy: -6.225
tors. eta vs tors. theta energy: -3.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -84.418643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.418643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.418643 (E_RNA)
where:
Base-Base interactions energy: -28.341
where: short stacking energy: -28.046
Base-Backbone interact. energy: -0.037
local terms energy: -56.040664
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -11.392
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -3.580
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: 1, replica: 9
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -212.248653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.248653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.248653 (E_RNA)
where:
Base-Base interactions energy: -129.810
where: short stacking energy: -59.166
Base-Backbone interact. energy: -0.145
local terms energy: -82.293978
where:
bonds (distance) C4'-P energy: -18.487
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -19.566
flat angles P-C4'-P energy: -13.006
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: 2, replica: 8
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -222.870226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.870226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.870226 (E_RNA)
where:
Base-Base interactions energy: -144.544
where: short stacking energy: -57.658
Base-Backbone interact. energy: -0.136
local terms energy: -78.189623
where:
bonds (distance) C4'-P energy: -16.025
bonds (distance) P-C4' energy: -17.961
flat angles C4'-P-C4' energy: -19.064
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -14.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -220.296099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.296099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.296099 (E_RNA)
where:
Base-Base interactions energy: -136.617
where: short stacking energy: -74.857
Base-Backbone interact. energy: -0.077
local terms energy: -83.602509
where:
bonds (distance) C4'-P energy: -17.854
bonds (distance) P-C4' energy: -19.855
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -19.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -198.922985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.922985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.922985 (E_RNA)
where:
Base-Base interactions energy: -122.696
where: short stacking energy: -59.266
Base-Backbone interact. energy: -0.480
local terms energy: -75.746267
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -17.015
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -13.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -187.179166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.179166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.179166 (E_RNA)
where:
Base-Base interactions energy: -113.693
where: short stacking energy: -58.242
Base-Backbone interact. energy: -0.395
local terms energy: -73.090960
where:
bonds (distance) C4'-P energy: -11.715
bonds (distance) P-C4' energy: -18.024
flat angles C4'-P-C4' energy: -17.734
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -15.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -185.914965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.914965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.914965 (E_RNA)
where:
Base-Base interactions energy: -114.374
where: short stacking energy: -55.052
Base-Backbone interact. energy: -0.206
local terms energy: -71.334270
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -14.876
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -17.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -146.492328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.492328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.492328 (E_RNA)
where:
Base-Base interactions energy: -91.726
where: short stacking energy: -48.914
Base-Backbone interact. energy: -0.165
local terms energy: -54.600954
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -11.024
flat angles P-C4'-P energy: -6.923
tors. eta vs tors. theta energy: -10.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -162.600108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.600108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.600108 (E_RNA)
where:
Base-Base interactions energy: -89.395
where: short stacking energy: -44.342
Base-Backbone interact. energy: -0.761
local terms energy: -72.444171
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -16.455
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -11.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -94.318024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.318024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.318024 (E_RNA)
where:
Base-Base interactions energy: -36.736
where: short stacking energy: -20.422
Base-Backbone interact. energy: -0.299
local terms energy: -57.283358
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -9.096
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: 10, replica: 1
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -99.116648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.116648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.116648 (E_RNA)
where:
Base-Base interactions energy: -36.240
where: short stacking energy: -34.316
Base-Backbone interact. energy: -0.083
local terms energy: -62.793802
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -7.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -237.773007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.773007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.773007 (E_RNA)
where:
Base-Base interactions energy: -160.405
where: short stacking energy: -76.310
Base-Backbone interact. energy: -0.199
local terms energy: -77.169468
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -18.595
flat angles P-C4'-P energy: -11.749
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: 2, replica: 9
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -226.616982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.616982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.616982 (E_RNA)
where:
Base-Base interactions energy: -138.497
where: short stacking energy: -77.107
Base-Backbone interact. energy: -0.025
local terms energy: -88.094853
where:
bonds (distance) C4'-P energy: -18.793
bonds (distance) P-C4' energy: -20.862
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -11.838
tors. eta vs tors. theta energy: -23.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -223.278236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.278236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.278236 (E_RNA)
where:
Base-Base interactions energy: -141.081
where: short stacking energy: -77.523
Base-Backbone interact. energy: -0.235
local terms energy: -81.962664
where:
bonds (distance) C4'-P energy: -17.577
bonds (distance) P-C4' energy: -16.954
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -20.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -195.497079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.497079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.497079 (E_RNA)
where:
Base-Base interactions energy: -129.556
where: short stacking energy: -63.726
Base-Backbone interact. energy: -0.209
local terms energy: -65.732122
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -11.712
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: -15.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -190.773177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.773177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.773177 (E_RNA)
where:
Base-Base interactions energy: -108.295
where: short stacking energy: -55.354
Base-Backbone interact. energy: -0.370
local terms energy: -82.107848
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -21.593
flat angles C4'-P-C4' energy: -18.058
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -14.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -168.737289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.737289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.737289 (E_RNA)
where:
Base-Base interactions energy: -94.138
where: short stacking energy: -46.103
Base-Backbone interact. energy: -0.796
local terms energy: -73.802388
where:
bonds (distance) C4'-P energy: -17.304
bonds (distance) P-C4' energy: -19.592
flat angles C4'-P-C4' energy: -19.329
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -6.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -149.394390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.394390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.394390 (E_RNA)
where:
Base-Base interactions energy: -91.999
where: short stacking energy: -49.177
Base-Backbone interact. energy: 1.757
local terms energy: -59.152483
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -9.834
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: 8, replica: 3
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -119.325266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.325266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.325266 (E_RNA)
where:
Base-Base interactions energy: -65.567
where: short stacking energy: -31.893
Base-Backbone interact. energy: -0.177
local terms energy: -53.580985
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -6.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -93.952913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.952913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.952913 (E_RNA)
where:
Base-Base interactions energy: -36.981
where: short stacking energy: -36.981
Base-Backbone interact. energy: 2.134
local terms energy: -59.106446
where:
bonds (distance) C4'-P energy: -10.373
bonds (distance) P-C4' energy: -17.339
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -5.580
tors. eta vs tors. theta energy: -9.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -79.782748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.782748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.782748 (E_RNA)
where:
Base-Base interactions energy: -21.150
where: short stacking energy: -21.150
Base-Backbone interact. energy: -0.155
local terms energy: -58.477074
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -13.404
flat angles C4'-P-C4' energy: -17.024
flat angles P-C4'-P energy: -15.703
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: 1, replica: 8
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -250.707997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.707997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.707997 (E_RNA)
where:
Base-Base interactions energy: -164.018
where: short stacking energy: -75.458
Base-Backbone interact. energy: -0.175
local terms energy: -86.515327
where:
bonds (distance) C4'-P energy: -17.888
bonds (distance) P-C4' energy: -18.495
flat angles C4'-P-C4' energy: -18.648
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -19.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -232.634920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.634920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.634920 (E_RNA)
where:
Base-Base interactions energy: -148.321
where: short stacking energy: -72.842
Base-Backbone interact. energy: -0.085
local terms energy: -84.228365
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -18.010
flat angles P-C4'-P energy: -13.090
tors. eta vs tors. theta energy: -17.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -219.793538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.793538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.793538 (E_RNA)
where:
Base-Base interactions energy: -131.633
where: short stacking energy: -77.073
Base-Backbone interact. energy: -0.095
local terms energy: -88.065242
where:
bonds (distance) C4'-P energy: -13.057
bonds (distance) P-C4' energy: -18.907
flat angles C4'-P-C4' energy: -21.752
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -23.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -193.024089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.024089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.024089 (E_RNA)
where:
Base-Base interactions energy: -118.014
where: short stacking energy: -55.192
Base-Backbone interact. energy: -0.539
local terms energy: -74.471340
where:
bonds (distance) C4'-P energy: -17.317
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -17.061
flat angles P-C4'-P energy: -12.880
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: 5, replica: 10
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -204.778568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.778568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.778568 (E_RNA)
where:
Base-Base interactions energy: -122.447
where: short stacking energy: -62.126
Base-Backbone interact. energy: -0.098
local terms energy: -82.233996
where:
bonds (distance) C4'-P energy: -16.474
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -14.829
tors. eta vs tors. theta energy: -18.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -170.088281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.088281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.088281 (E_RNA)
where:
Base-Base interactions energy: -111.869
where: short stacking energy: -46.962
Base-Backbone interact. energy: -0.310
local terms energy: -57.909087
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -10.078
flat angles P-C4'-P energy: -6.034
tors. eta vs tors. theta energy: -9.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -176.258027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.258027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.258027 (E_RNA)
where:
Base-Base interactions energy: -102.489
where: short stacking energy: -60.014
Base-Backbone interact. energy: -0.163
local terms energy: -73.605786
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -15.964
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -19.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -96.745541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.745541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.745541 (E_RNA)
where:
Base-Base interactions energy: -36.846
where: short stacking energy: -34.024
Base-Backbone interact. energy: -0.016
local terms energy: -59.884104
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -17.238
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -6.767
tors. eta vs tors. theta energy: -9.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -123.101475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.101475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.101475 (E_RNA)
where:
Base-Base interactions energy: -64.338
where: short stacking energy: -32.251
Base-Backbone interact. energy: -0.024
local terms energy: -58.739557
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -16.779
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -13.796
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: 10, replica: 1
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -91.188697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.188697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.188697 (E_RNA)
where:
Base-Base interactions energy: -46.731
where: short stacking energy: -25.753
Base-Backbone interact. energy: -0.240
local terms energy: -44.217649
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -8.417
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: 0.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -250.289388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.289388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.289388 (E_RNA)
where:
Base-Base interactions energy: -162.852
where: short stacking energy: -81.887
Base-Backbone interact. energy: -0.100
local terms energy: -87.336794
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -18.190
flat angles P-C4'-P energy: -13.542
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: 2, replica: 2
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -228.339134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.339134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.339134 (E_RNA)
where:
Base-Base interactions energy: -143.440
where: short stacking energy: -71.018
Base-Backbone interact. energy: -0.127
local terms energy: -84.771687
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -19.380
flat angles C4'-P-C4' energy: -18.783
flat angles P-C4'-P energy: -15.828
tors. eta vs tors. theta energy: -16.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -208.701380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.701380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.701380 (E_RNA)
where:
Base-Base interactions energy: -125.105
where: short stacking energy: -62.140
Base-Backbone interact. energy: -0.025
local terms energy: -83.571897
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -19.172
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -14.215
tors. eta vs tors. theta energy: -20.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -203.316443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.316443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.316443 (E_RNA)
where:
Base-Base interactions energy: -125.619
where: short stacking energy: -56.149
Base-Backbone interact. energy: -0.117
local terms energy: -77.580491
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -17.568
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -11.395
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: 5, replica: 10
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -200.748667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.748667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.748667 (E_RNA)
where:
Base-Base interactions energy: -127.973
where: short stacking energy: -68.925
Base-Backbone interact. energy: -0.107
local terms energy: -72.667920
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -19.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -171.155720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.155720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.155720 (E_RNA)
where:
Base-Base interactions energy: -98.135
where: short stacking energy: -53.453
Base-Backbone interact. energy: -0.112
local terms energy: -72.908511
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -11.905
flat angles P-C4'-P energy: -12.655
tors. eta vs tors. theta energy: -17.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -169.122320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.122320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.122320 (E_RNA)
where:
Base-Base interactions energy: -102.755
where: short stacking energy: -56.422
Base-Backbone interact. energy: 0.717
local terms energy: -67.083579
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -18.485
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -12.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -95.897083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.897083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.897083 (E_RNA)
where:
Base-Base interactions energy: -48.129
where: short stacking energy: -32.202
Base-Backbone interact. energy: -0.105
local terms energy: -47.663187
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -16.053
flat angles C4'-P-C4' energy: -8.474
flat angles P-C4'-P energy: -5.554
tors. eta vs tors. theta energy: -1.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -133.091810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.091810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.091810 (E_RNA)
where:
Base-Base interactions energy: -74.465
where: short stacking energy: -38.813
Base-Backbone interact. energy: -0.215
local terms energy: -58.411903
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -18.667
flat angles C4'-P-C4' energy: -11.010
flat angles P-C4'-P energy: -4.949
tors. eta vs tors. theta energy: -8.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -86.332070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.332070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.332070 (E_RNA)
where:
Base-Base interactions energy: -36.575
where: short stacking energy: -36.575
Base-Backbone interact. energy: -0.258
local terms energy: -49.499561
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -16.573
flat angles C4'-P-C4' energy: -9.161
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -5.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -230.221914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.221914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.221914 (E_RNA)
where:
Base-Base interactions energy: -149.107
where: short stacking energy: -67.381
Base-Backbone interact. energy: -0.162
local terms energy: -80.953645
where:
bonds (distance) C4'-P energy: -18.597
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -19.246
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -14.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -227.205572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.205572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.205572 (E_RNA)
where:
Base-Base interactions energy: -147.100
where: short stacking energy: -75.735
Base-Backbone interact. energy: -0.144
local terms energy: -79.961600
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -17.508
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -14.117
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: 3, replica: 4
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -208.786189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.786189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.786189 (E_RNA)
where:
Base-Base interactions energy: -125.677
where: short stacking energy: -66.368
Base-Backbone interact. energy: -0.002
local terms energy: -83.107682
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -17.253
flat angles C4'-P-C4' energy: -17.792
flat angles P-C4'-P energy: -12.073
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: 4, replica: 10
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -199.267234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.267234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.267234 (E_RNA)
where:
Base-Base interactions energy: -123.172
where: short stacking energy: -71.268
Base-Backbone interact. energy: -0.004
local terms energy: -76.090973
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -17.603
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -18.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -204.809988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.809988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.809988 (E_RNA)
where:
Base-Base interactions energy: -126.478
where: short stacking energy: -62.020
Base-Backbone interact. energy: -0.437
local terms energy: -77.895262
where:
bonds (distance) C4'-P energy: -18.421
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -13.535
tors. eta vs tors. theta energy: -15.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -186.868883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.868883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.868883 (E_RNA)
where:
Base-Base interactions energy: -111.465
where: short stacking energy: -54.878
Base-Backbone interact. energy: -0.237
local terms energy: -75.166564
where:
bonds (distance) C4'-P energy: -19.542
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -10.002
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: 5
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -165.164114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.164114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.164114 (E_RNA)
where:
Base-Base interactions energy: -98.861
where: short stacking energy: -49.860
Base-Backbone interact. energy: -0.026
local terms energy: -66.276610
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -13.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -147.118100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.118100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.118100 (E_RNA)
where:
Base-Base interactions energy: -82.043
where: short stacking energy: -46.955
Base-Backbone interact. energy: -0.025
local terms energy: -65.049451
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -15.779
flat angles C4'-P-C4' energy: -17.365
flat angles P-C4'-P energy: -8.704
tors. eta vs tors. theta energy: -8.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -87.380517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.380517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.380517 (E_RNA)
where:
Base-Base interactions energy: -50.003
where: short stacking energy: -35.214
Base-Backbone interact. energy: -0.091
local terms energy: -37.286845
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -10.977
flat angles C4'-P-C4' energy: -6.890
flat angles P-C4'-P energy: -8.132
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: 10, replica: 1
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -86.096644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.096644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.096644 (E_RNA)
where:
Base-Base interactions energy: -30.948
where: short stacking energy: -30.948
Base-Backbone interact. energy: -0.113
local terms energy: -55.035235
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -8.027
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: 1, replica: 2
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -231.693371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.693371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.693371 (E_RNA)
where:
Base-Base interactions energy: -148.066
where: short stacking energy: -74.346
Base-Backbone interact. energy: -0.106
local terms energy: -83.521625
where:
bonds (distance) C4'-P energy: -15.892
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -20.137
flat angles P-C4'-P energy: -12.994
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: 8
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -231.373283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.373283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.373283 (E_RNA)
where:
Base-Base interactions energy: -154.555
where: short stacking energy: -72.850
Base-Backbone interact. energy: -0.094
local terms energy: -76.724057
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -15.281
flat angles C4'-P-C4' energy: -18.448
flat angles P-C4'-P energy: -11.723
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: 3, replica: 10
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -207.735832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.735832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.735832 (E_RNA)
where:
Base-Base interactions energy: -129.149
where: short stacking energy: -55.207
Base-Backbone interact. energy: -0.595
local terms energy: -77.991940
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -17.349
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -15.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -213.158111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.158111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.158111 (E_RNA)
where:
Base-Base interactions energy: -135.160
where: short stacking energy: -74.109
Base-Backbone interact. energy: -0.046
local terms energy: -77.951795
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -16.902
flat angles C4'-P-C4' energy: -16.062
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -18.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -195.225106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.225106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.225106 (E_RNA)
where:
Base-Base interactions energy: -117.435
where: short stacking energy: -57.607
Base-Backbone interact. energy: -0.085
local terms energy: -77.704765
where:
bonds (distance) C4'-P energy: -17.290
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -17.679
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -17.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -186.900042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.900042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.900042 (E_RNA)
where:
Base-Base interactions energy: -113.901
where: short stacking energy: -51.971
Base-Backbone interact. energy: -0.296
local terms energy: -72.703088
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -19.572
flat angles P-C4'-P energy: -7.450
tors. eta vs tors. theta energy: -13.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -152.416533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.416533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.416533 (E_RNA)
where:
Base-Base interactions energy: -90.938
where: short stacking energy: -38.010
Base-Backbone interact. energy: -0.446
local terms energy: -61.032786
where:
bonds (distance) C4'-P energy: -5.458
bonds (distance) P-C4' energy: -17.651
flat angles C4'-P-C4' energy: -20.317
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -6.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -181.657607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.657607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.657607 (E_RNA)
where:
Base-Base interactions energy: -105.211
where: short stacking energy: -66.663
Base-Backbone interact. energy: -0.160
local terms energy: -76.286646
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -17.427
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -17.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -85.555099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.555099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.555099 (E_RNA)
where:
Base-Base interactions energy: -27.796
where: short stacking energy: -20.206
Base-Backbone interact. energy: -0.184
local terms energy: -57.575077
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -17.925
flat angles P-C4'-P energy: -4.274
tors. eta vs tors. theta energy: -4.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -90.995104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.995104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.995104 (E_RNA)
where:
Base-Base interactions energy: -37.191
where: short stacking energy: -23.164
Base-Backbone interact. energy: -0.142
local terms energy: -53.661865
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -10.242
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -2.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -244.486230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.486230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.486230 (E_RNA)
where:
Base-Base interactions energy: -162.369
where: short stacking energy: -77.384
Base-Backbone interact. energy: -0.396
local terms energy: -81.721724
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -18.343
flat angles C4'-P-C4' energy: -19.252
flat angles P-C4'-P energy: -7.621
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: 8
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -233.459454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.459454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.459454 (E_RNA)
where:
Base-Base interactions energy: -155.215
where: short stacking energy: -79.976
Base-Backbone interact. energy: -0.088
local terms energy: -78.155961
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -17.847
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -20.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -205.583296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.583296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.583296 (E_RNA)
where:
Base-Base interactions energy: -130.574
where: short stacking energy: -59.806
Base-Backbone interact. energy: -0.148
local terms energy: -74.862074
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -15.943
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -17.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -188.095782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.095782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.095782 (E_RNA)
where:
Base-Base interactions energy: -109.565
where: short stacking energy: -60.343
Base-Backbone interact. energy: -0.020
local terms energy: -78.511205
where:
bonds (distance) C4'-P energy: -17.219
bonds (distance) P-C4' energy: -17.719
flat angles C4'-P-C4' energy: -18.142
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -13.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -188.767027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.767027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.767027 (E_RNA)
where:
Base-Base interactions energy: -122.417
where: short stacking energy: -71.053
Base-Backbone interact. energy: -0.099
local terms energy: -66.251046
where:
bonds (distance) C4'-P energy: -9.113
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -9.099
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: 9
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -179.226202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.226202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.226202 (E_RNA)
where:
Base-Base interactions energy: -111.242
where: short stacking energy: -59.718
Base-Backbone interact. energy: 1.861
local terms energy: -69.844434
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -17.345
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -13.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -149.453385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.453385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.453385 (E_RNA)
where:
Base-Base interactions energy: -92.170
where: short stacking energy: -45.481
Base-Backbone interact. energy: -0.101
local terms energy: -57.182920
where:
bonds (distance) C4'-P energy: -13.011
bonds (distance) P-C4' energy: -17.236
flat angles C4'-P-C4' energy: -12.640
flat angles P-C4'-P energy: -5.935
tors. eta vs tors. theta energy: -8.361
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: 8, replica: 5
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -167.357757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.357757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.357757 (E_RNA)
where:
Base-Base interactions energy: -106.742
where: short stacking energy: -53.550
Base-Backbone interact. energy: -0.114
local terms energy: -60.501677
where:
bonds (distance) C4'-P energy: -9.047
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -13.192
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -10.858
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: 3
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -97.422506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.422506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.422506 (E_RNA)
where:
Base-Base interactions energy: -43.955
where: short stacking energy: -32.166
Base-Backbone interact. energy: 4.600
local terms energy: -58.067448
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -0.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -80.839685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.839685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.839685 (E_RNA)
where:
Base-Base interactions energy: -25.428
where: short stacking energy: -25.428
Base-Backbone interact. energy: -0.057
local terms energy: -55.354679
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -20.430
flat angles C4'-P-C4' energy: -10.220
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -1.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -238.804690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.804690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.804690 (E_RNA)
where:
Base-Base interactions energy: -150.982
where: short stacking energy: -67.640
Base-Backbone interact. energy: -0.111
local terms energy: -87.710869
where:
bonds (distance) C4'-P energy: -18.631
bonds (distance) P-C4' energy: -16.838
flat angles C4'-P-C4' energy: -19.106
flat angles P-C4'-P energy: -13.894
tors. eta vs tors. theta energy: -19.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -232.938166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.938166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.938166 (E_RNA)
where:
Base-Base interactions energy: -149.838
where: short stacking energy: -76.753
Base-Backbone interact. energy: -0.500
local terms energy: -82.600501
where:
bonds (distance) C4'-P energy: -18.236
bonds (distance) P-C4' energy: -17.176
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -12.704
tors. eta vs tors. theta energy: -19.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -204.382412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.382412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.382412 (E_RNA)
where:
Base-Base interactions energy: -128.763
where: short stacking energy: -69.849
Base-Backbone interact. energy: -0.003
local terms energy: -75.616214
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -18.548
flat angles C4'-P-C4' energy: -17.373
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -15.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -182.053356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.053356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.053356 (E_RNA)
where:
Base-Base interactions energy: -108.056
where: short stacking energy: -54.346
Base-Backbone interact. energy: -0.128
local terms energy: -73.870248
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -18.451
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -12.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -192.485968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.485968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.485968 (E_RNA)
where:
Base-Base interactions energy: -117.888
where: short stacking energy: -58.407
Base-Backbone interact. energy: -0.122
local terms energy: -74.476051
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -13.721
flat angles C4'-P-C4' energy: -18.131
flat angles P-C4'-P energy: -12.811
tors. eta vs tors. theta energy: -14.616
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: 6, replica: 4
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -195.960110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.960110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.960110 (E_RNA)
where:
Base-Base interactions energy: -111.573
where: short stacking energy: -60.633
Base-Backbone interact. energy: -0.049
local terms energy: -84.338293
where:
bonds (distance) C4'-P energy: -20.917
bonds (distance) P-C4' energy: -14.601
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -14.429
tors. eta vs tors. theta energy: -16.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -162.912017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.912017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.912017 (E_RNA)
where:
Base-Base interactions energy: -89.135
where: short stacking energy: -41.594
Base-Backbone interact. energy: 0.976
local terms energy: -74.753145
where:
bonds (distance) C4'-P energy: -18.280
bonds (distance) P-C4' energy: -18.675
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -13.473
tors. eta vs tors. theta energy: -7.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -158.365067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.365067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.365067 (E_RNA)
where:
Base-Base interactions energy: -90.731
where: short stacking energy: -48.867
Base-Backbone interact. energy: -0.072
local terms energy: -67.562787
where:
bonds (distance) C4'-P energy: -10.513
bonds (distance) P-C4' energy: -17.159
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -12.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -92.061107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.061107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.061107 (E_RNA)
where:
Base-Base interactions energy: -35.943
where: short stacking energy: -29.863
Base-Backbone interact. energy: -0.021
local terms energy: -56.097040
where:
bonds (distance) C4'-P energy: -6.232
bonds (distance) P-C4' energy: -18.984
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -13.048
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: 10, replica: 3
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -89.020181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.020181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.020181 (E_RNA)
where:
Base-Base interactions energy: -38.844
where: short stacking energy: -37.273
Base-Backbone interact. energy: -0.335
local terms energy: -49.841296
where:
bonds (distance) C4'-P energy: -9.524
bonds (distance) P-C4' energy: -9.850
flat angles C4'-P-C4' energy: -11.907
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -10.451
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: 8
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -236.696669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.696669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.696669 (E_RNA)
where:
Base-Base interactions energy: -158.152
where: short stacking energy: -76.043
Base-Backbone interact. energy: -0.174
local terms energy: -78.371458
where:
bonds (distance) C4'-P energy: -16.047
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -13.145
tors. eta vs tors. theta energy: -16.570
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: 2
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -230.685551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.685551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.685551 (E_RNA)
where:
Base-Base interactions energy: -142.589
where: short stacking energy: -75.224
Base-Backbone interact. energy: -0.425
local terms energy: -87.672390
where:
bonds (distance) C4'-P energy: -17.084
bonds (distance) P-C4' energy: -19.886
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -13.191
tors. eta vs tors. theta energy: -20.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -199.126283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.126283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.126283 (E_RNA)
where:
Base-Base interactions energy: -130.299
where: short stacking energy: -66.801
Base-Backbone interact. energy: -0.176
local terms energy: -68.651214
where:
bonds (distance) C4'-P energy: -10.331
bonds (distance) P-C4' energy: -19.855
flat angles C4'-P-C4' energy: -10.247
flat angles P-C4'-P energy: -9.456
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: 9
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -207.271575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.271575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.271575 (E_RNA)
where:
Base-Base interactions energy: -133.809
where: short stacking energy: -73.579
Base-Backbone interact. energy: -0.007
local terms energy: -73.455964
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -17.745
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -11.448
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: 5, replica: 10
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -173.922497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.922497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.922497 (E_RNA)
where:
Base-Base interactions energy: -105.654
where: short stacking energy: -54.651
Base-Backbone interact. energy: -0.092
local terms energy: -68.176439
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -10.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -187.254418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.254418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.254418 (E_RNA)
where:
Base-Base interactions energy: -111.197
where: short stacking energy: -57.048
Base-Backbone interact. energy: -0.110
local terms energy: -75.947704
where:
bonds (distance) C4'-P energy: -14.125
bonds (distance) P-C4' energy: -18.043
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -17.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -167.898009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.898009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.898009 (E_RNA)
where:
Base-Base interactions energy: -96.410
where: short stacking energy: -55.361
Base-Backbone interact. energy: -0.210
local terms energy: -71.277940
where:
bonds (distance) C4'-P energy: -14.623
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -14.156
tors. eta vs tors. theta energy: -12.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -137.856161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.856161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.856161 (E_RNA)
where:
Base-Base interactions energy: -85.295
where: short stacking energy: -45.668
Base-Backbone interact. energy: -0.667
local terms energy: -51.894981
where:
bonds (distance) C4'-P energy: -17.601
bonds (distance) P-C4' energy: -11.114
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -2.373
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: 1
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -106.177535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.177535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.177535 (E_RNA)
where:
Base-Base interactions energy: -40.592
where: short stacking energy: -31.347
Base-Backbone interact. energy: -0.009
local terms energy: -65.575710
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -21.321
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -2.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -114.385170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.385170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.385170 (E_RNA)
where:
Base-Base interactions energy: -59.250
where: short stacking energy: -28.583
Base-Backbone interact. energy: -0.387
local terms energy: -54.747746
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -4.997
tors. eta vs tors. theta energy: 0.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -244.248939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.248939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.248939 (E_RNA)
where:
Base-Base interactions energy: -163.546
where: short stacking energy: -77.138
Base-Backbone interact. energy: -0.118
local terms energy: -80.584832
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -19.492
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -13.277
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: 2, replica: 2
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -219.957237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.957237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.957237 (E_RNA)
where:
Base-Base interactions energy: -136.805
where: short stacking energy: -69.379
Base-Backbone interact. energy: -0.016
local terms energy: -83.136355
where:
bonds (distance) C4'-P energy: -18.225
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -18.209
flat angles P-C4'-P energy: -13.391
tors. eta vs tors. theta energy: -16.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -214.758868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.758868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.758868 (E_RNA)
where:
Base-Base interactions energy: -134.177
where: short stacking energy: -56.588
Base-Backbone interact. energy: -0.022
local terms energy: -80.560093
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -18.311
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -18.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -201.413165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.413165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.413165 (E_RNA)
where:
Base-Base interactions energy: -126.990
where: short stacking energy: -62.528
Base-Backbone interact. energy: -0.121
local terms energy: -74.301864
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -11.167
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: 5, replica: 5
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -203.412860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.412860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.412860 (E_RNA)
where:
Base-Base interactions energy: -129.194
where: short stacking energy: -68.033
Base-Backbone interact. energy: -0.369
local terms energy: -73.849504
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -18.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -165.750719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.750719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.750719 (E_RNA)
where:
Base-Base interactions energy: -104.579
where: short stacking energy: -47.851
Base-Backbone interact. energy: 0.389
local terms energy: -61.561064
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -11.228
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -8.227
tors. eta vs tors. theta energy: -9.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -170.765867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.765867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.765867 (E_RNA)
where:
Base-Base interactions energy: -98.157
where: short stacking energy: -45.119
Base-Backbone interact. energy: -0.420
local terms energy: -72.188277
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -21.063
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -9.940
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: 4
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -150.251291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.251291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.251291 (E_RNA)
where:
Base-Base interactions energy: -87.596
where: short stacking energy: -43.399
Base-Backbone interact. energy: 0.137
local terms energy: -62.791800
where:
bonds (distance) C4'-P energy: -18.514
bonds (distance) P-C4' energy: -12.238
flat angles C4'-P-C4' energy: -17.678
flat angles P-C4'-P energy: -4.726
tors. eta vs tors. theta energy: -9.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -88.335097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.335097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.335097 (E_RNA)
where:
Base-Base interactions energy: -31.937
where: short stacking energy: -22.554
Base-Backbone interact. energy: 0.288
local terms energy: -56.685742
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -17.032
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: 1.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -93.477202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.477202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.477202 (E_RNA)
where:
Base-Base interactions energy: -36.591
where: short stacking energy: -36.591
Base-Backbone interact. energy: -0.315
local terms energy: -56.570945
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -17.272
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -5.107
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: 1, replica: 8
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -236.339163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.339163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.339163 (E_RNA)
where:
Base-Base interactions energy: -156.700
where: short stacking energy: -77.577
Base-Backbone interact. energy: -0.100
local terms energy: -79.539947
where:
bonds (distance) C4'-P energy: -12.721
bonds (distance) P-C4' energy: -18.516
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -12.446
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: 2, replica: 2
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -222.556673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.556673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.556673 (E_RNA)
where:
Base-Base interactions energy: -143.444
where: short stacking energy: -74.401
Base-Backbone interact. energy: -0.133
local terms energy: -78.979610
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -17.835
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -21.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -219.059198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.059198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.059198 (E_RNA)
where:
Base-Base interactions energy: -137.692
where: short stacking energy: -65.326
Base-Backbone interact. energy: -0.079
local terms energy: -81.288299
where:
bonds (distance) C4'-P energy: -18.685
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -19.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -204.962276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.962276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.962276 (E_RNA)
where:
Base-Base interactions energy: -123.956
where: short stacking energy: -68.284
Base-Backbone interact. energy: -0.012
local terms energy: -80.994461
where:
bonds (distance) C4'-P energy: -18.124
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -11.919
flat angles P-C4'-P energy: -13.760
tors. eta vs tors. theta energy: -21.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -209.329895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.329895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.329895 (E_RNA)
where:
Base-Base interactions energy: -132.084
where: short stacking energy: -57.818
Base-Backbone interact. energy: -0.002
local terms energy: -77.243407
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -19.749
flat angles C4'-P-C4' energy: -12.300
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -18.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -186.987675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.987675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.987675 (E_RNA)
where:
Base-Base interactions energy: -117.638
where: short stacking energy: -55.407
Base-Backbone interact. energy: -0.239
local terms energy: -69.110231
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -18.123
flat angles C4'-P-C4' energy: -11.257
flat angles P-C4'-P energy: -8.792
tors. eta vs tors. theta energy: -13.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -160.297380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.297380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.297380 (E_RNA)
where:
Base-Base interactions energy: -92.608
where: short stacking energy: -44.442
Base-Backbone interact. energy: -0.305
local terms energy: -67.383959
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -17.484
flat angles P-C4'-P energy: -13.922
tors. eta vs tors. theta energy: -4.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -157.039663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.039663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.039663 (E_RNA)
where:
Base-Base interactions energy: -90.500
where: short stacking energy: -54.125
Base-Backbone interact. energy: -0.183
local terms energy: -66.357276
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -9.643
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -14.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -102.894436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.894436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.894436 (E_RNA)
where:
Base-Base interactions energy: -42.609
where: short stacking energy: -41.294
Base-Backbone interact. energy: -0.102
local terms energy: -60.183632
where:
bonds (distance) C4'-P energy: -11.037
bonds (distance) P-C4' energy: -15.475
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -9.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -94.505405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.505405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.505405 (E_RNA)
where:
Base-Base interactions energy: -35.003
where: short stacking energy: -33.662
Base-Backbone interact. energy: -0.348
local terms energy: -59.154418
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -4.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -233.576653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.576653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.576653 (E_RNA)
where:
Base-Base interactions energy: -145.275
where: short stacking energy: -79.885
Base-Backbone interact. energy: 0.358
local terms energy: -88.659588
where:
bonds (distance) C4'-P energy: -18.757
bonds (distance) P-C4' energy: -18.949
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -13.798
tors. eta vs tors. theta energy: -21.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -243.355702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.355702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.355702 (E_RNA)
where:
Base-Base interactions energy: -158.689
where: short stacking energy: -81.257
Base-Backbone interact. energy: -0.200
local terms energy: -84.465941
where:
bonds (distance) C4'-P energy: -16.267
bonds (distance) P-C4' energy: -19.629
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -21.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -215.698837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.698837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.698837 (E_RNA)
where:
Base-Base interactions energy: -133.999
where: short stacking energy: -73.710
Base-Backbone interact. energy: -0.008
local terms energy: -81.691840
where:
bonds (distance) C4'-P energy: -10.319
bonds (distance) P-C4' energy: -19.616
flat angles C4'-P-C4' energy: -17.776
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -22.160
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: 9
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -206.750050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.750050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.750050 (E_RNA)
where:
Base-Base interactions energy: -124.664
where: short stacking energy: -71.208
Base-Backbone interact. energy: -0.311
local terms energy: -81.775138
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -18.886
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -22.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -190.082144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.082144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.082144 (E_RNA)
where:
Base-Base interactions energy: -113.063
where: short stacking energy: -62.880
Base-Backbone interact. energy: -0.095
local terms energy: -76.924057
where:
bonds (distance) C4'-P energy: -15.367
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -19.224
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -16.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -193.554699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.554699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.554699 (E_RNA)
where:
Base-Base interactions energy: -120.298
where: short stacking energy: -47.735
Base-Backbone interact. energy: -0.565
local terms energy: -72.692118
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -13.447
tors. eta vs tors. theta energy: -12.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -160.405050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.405050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.405050 (E_RNA)
where:
Base-Base interactions energy: -101.408
where: short stacking energy: -55.761
Base-Backbone interact. energy: -0.115
local terms energy: -58.881859
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -16.933
flat angles C4'-P-C4' energy: -11.721
flat angles P-C4'-P energy: -7.948
tors. eta vs tors. theta energy: -6.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -122.692169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.692169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.692169 (E_RNA)
where:
Base-Base interactions energy: -72.647
where: short stacking energy: -31.192
Base-Backbone interact. energy: 0.090
local terms energy: -50.135096
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -8.196
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -1.064
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: 1
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -149.634933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.634933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.634933 (E_RNA)
where:
Base-Base interactions energy: -90.784
where: short stacking energy: -47.001
Base-Backbone interact. energy: -0.245
local terms energy: -58.605991
where:
bonds (distance) C4'-P energy: -10.955
bonds (distance) P-C4' energy: -10.884
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -12.141
tors. eta vs tors. theta energy: -9.501
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: 10, replica: 3
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -102.723992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.723992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.723992 (E_RNA)
where:
Base-Base interactions energy: -42.934
where: short stacking energy: -42.934
Base-Backbone interact. energy: 0.409
local terms energy: -60.198407
where:
bonds (distance) C4'-P energy: -9.222
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -17.012
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -7.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -223.941767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.941767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.941767 (E_RNA)
where:
Base-Base interactions energy: -143.142
where: short stacking energy: -71.824
Base-Backbone interact. energy: 0.198
local terms energy: -80.997816
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -16.493
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -14.006
tors. eta vs tors. theta energy: -18.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -232.053443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.053443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.053443 (E_RNA)
where:
Base-Base interactions energy: -149.031
where: short stacking energy: -79.395
Base-Backbone interact. energy: -0.053
local terms energy: -82.968500
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -19.238
flat angles C4'-P-C4' energy: -17.740
flat angles P-C4'-P energy: -11.622
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: 8
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -227.628868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.628868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.628868 (E_RNA)
where:
Base-Base interactions energy: -147.293
where: short stacking energy: -69.866
Base-Backbone interact. energy: -0.240
local terms energy: -80.094994
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -19.021
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -12.664
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: 4, replica: 9
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -216.421780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.421780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.421780 (E_RNA)
where:
Base-Base interactions energy: -137.302
where: short stacking energy: -62.999
Base-Backbone interact. energy: -0.463
local terms energy: -78.655920
where:
bonds (distance) C4'-P energy: -17.523
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -20.630
flat angles P-C4'-P energy: -8.356
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: 5, replica: 6
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -193.206427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.206427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.206427 (E_RNA)
where:
Base-Base interactions energy: -116.688
where: short stacking energy: -63.176
Base-Backbone interact. energy: 0.191
local terms energy: -76.708702
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -20.342
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -16.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -195.805723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.805723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.805723 (E_RNA)
where:
Base-Base interactions energy: -127.010
where: short stacking energy: -56.052
Base-Backbone interact. energy: -0.131
local terms energy: -68.664315
where:
bonds (distance) C4'-P energy: -17.386
bonds (distance) P-C4' energy: -15.623
flat angles C4'-P-C4' energy: -11.482
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -12.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -160.708364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.708364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.708364 (E_RNA)
where:
Base-Base interactions energy: -85.742
where: short stacking energy: -46.904
Base-Backbone interact. energy: -0.064
local terms energy: -74.902115
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -21.587
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -12.468
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: 1
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -154.369156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.369156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.369156 (E_RNA)
where:
Base-Base interactions energy: -89.162
where: short stacking energy: -44.388
Base-Backbone interact. energy: -0.157
local terms energy: -65.049849
where:
bonds (distance) C4'-P energy: -19.348
bonds (distance) P-C4' energy: -16.817
flat angles C4'-P-C4' energy: -8.770
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -9.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -97.902207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.902207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.902207 (E_RNA)
where:
Base-Base interactions energy: -34.498
where: short stacking energy: -34.814
Base-Backbone interact. energy: 0.496
local terms energy: -63.900667
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -20.631
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -7.983
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: 3
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -84.878522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.878522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.878522 (E_RNA)
where:
Base-Base interactions energy: -39.169
where: short stacking energy: -36.110
Base-Backbone interact. energy: 0.167
local terms energy: -45.876893
where:
bonds (distance) C4'-P energy: -9.850
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -8.174
flat angles P-C4'-P energy: -9.220
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: 1, replica: 5
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -226.334326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.334326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.334326 (E_RNA)
where:
Base-Base interactions energy: -142.319
where: short stacking energy: -78.901
Base-Backbone interact. energy: -0.034
local terms energy: -83.980736
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -18.062
flat angles C4'-P-C4' energy: -19.420
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -21.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -220.918440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.918440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.918440 (E_RNA)
where:
Base-Base interactions energy: -142.090
where: short stacking energy: -74.957
Base-Backbone interact. energy: -0.688
local terms energy: -78.139825
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -13.048
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -14.877
tors. eta vs tors. theta energy: -18.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -229.464072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.464072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.464072 (E_RNA)
where:
Base-Base interactions energy: -157.559
where: short stacking energy: -64.920
Base-Backbone interact. energy: -0.125
local terms energy: -71.780155
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -16.637
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -14.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -203.198669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.198669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.198669 (E_RNA)
where:
Base-Base interactions energy: -119.268
where: short stacking energy: -54.231
Base-Backbone interact. energy: -0.206
local terms energy: -83.724980
where:
bonds (distance) C4'-P energy: -18.533
bonds (distance) P-C4' energy: -19.675
flat angles C4'-P-C4' energy: -19.023
flat angles P-C4'-P energy: -12.335
tors. eta vs tors. theta energy: -14.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -195.066242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.066242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.066242 (E_RNA)
where:
Base-Base interactions energy: -125.080
where: short stacking energy: -57.251
Base-Backbone interact. energy: 0.251
local terms energy: -70.237610
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -18.479
flat angles P-C4'-P energy: -7.624
tors. eta vs tors. theta energy: -15.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -189.429872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.429872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.429872 (E_RNA)
where:
Base-Base interactions energy: -119.751
where: short stacking energy: -56.732
Base-Backbone interact. energy: -0.448
local terms energy: -69.231195
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -18.991
flat angles C4'-P-C4' energy: -17.086
flat angles P-C4'-P energy: -3.933
tors. eta vs tors. theta energy: -15.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -156.098230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.098230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.098230 (E_RNA)
where:
Base-Base interactions energy: -92.469
where: short stacking energy: -55.276
Base-Backbone interact. energy: 0.706
local terms energy: -64.335067
where:
bonds (distance) C4'-P energy: -15.174
bonds (distance) P-C4' energy: -10.954
flat angles C4'-P-C4' energy: -17.115
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -12.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -163.971304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.971304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.971304 (E_RNA)
where:
Base-Base interactions energy: -101.055
where: short stacking energy: -49.621
Base-Backbone interact. energy: 0.232
local terms energy: -63.148783
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -9.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -89.531762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.531762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.531762 (E_RNA)
where:
Base-Base interactions energy: -40.644
where: short stacking energy: -31.952
Base-Backbone interact. energy: -0.647
local terms energy: -48.240281
where:
bonds (distance) C4'-P energy: -10.021
bonds (distance) P-C4' energy: -19.595
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -4.784
tors. eta vs tors. theta energy: -0.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -83.692562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.692562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.692562 (E_RNA)
where:
Base-Base interactions energy: -33.113
where: short stacking energy: -22.269
Base-Backbone interact. energy: -0.119
local terms energy: -50.460596
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -19.370
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: 2.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -230.215341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.215341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.215341 (E_RNA)
where:
Base-Base interactions energy: -146.947
where: short stacking energy: -76.955
Base-Backbone interact. energy: -0.052
local terms energy: -83.216241
where:
bonds (distance) C4'-P energy: -19.779
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -13.112
tors. eta vs tors. theta energy: -20.482
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: 2, replica: 8
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -240.199149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.199149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.199149 (E_RNA)
where:
Base-Base interactions energy: -158.870
where: short stacking energy: -75.444
Base-Backbone interact. energy: -0.183
local terms energy: -81.146113
where:
bonds (distance) C4'-P energy: -14.986
bonds (distance) P-C4' energy: -18.084
flat angles C4'-P-C4' energy: -18.752
flat angles P-C4'-P energy: -14.474
tors. eta vs tors. theta energy: -14.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -227.085376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.085376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.085376 (E_RNA)
where:
Base-Base interactions energy: -153.854
where: short stacking energy: -81.535
Base-Backbone interact. energy: -0.025
local terms energy: -73.205954
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -13.406
tors. eta vs tors. theta energy: -21.460
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: 227
Temperature: 1.050000
Total energy: -204.477256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.477256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.477256 (E_RNA)
where:
Base-Base interactions energy: -136.563
where: short stacking energy: -65.856
Base-Backbone interact. energy: -0.069
local terms energy: -67.845283
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -10.782
flat angles P-C4'-P energy: -6.598
tors. eta vs tors. theta energy: -18.458
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: 5, replica: 7
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -182.203487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.203487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.203487 (E_RNA)
where:
Base-Base interactions energy: -109.360
where: short stacking energy: -55.694
Base-Backbone interact. energy: 1.360
local terms energy: -74.203227
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -19.570
flat angles C4'-P-C4' energy: -19.456
flat angles P-C4'-P energy: -11.552
tors. eta vs tors. theta energy: -8.438
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: 1
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -162.036969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.036969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.036969 (E_RNA)
where:
Base-Base interactions energy: -87.342
where: short stacking energy: -48.734
Base-Backbone interact. energy: -0.045
local terms energy: -74.649638
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -17.347
flat angles P-C4'-P energy: -13.984
tors. eta vs tors. theta energy: -10.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -198.747076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.747076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.747076 (E_RNA)
where:
Base-Base interactions energy: -130.729
where: short stacking energy: -65.100
Base-Backbone interact. energy: -0.602
local terms energy: -67.416358
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -8.392
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: 3
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -110.664758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.664758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.664758 (E_RNA)
where:
Base-Base interactions energy: -56.145
where: short stacking energy: -40.505
Base-Backbone interact. energy: -0.108
local terms energy: -54.412060
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -10.869
flat angles P-C4'-P energy: -5.853
tors. eta vs tors. theta energy: -5.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -161.102801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.102801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.102801 (E_RNA)
where:
Base-Base interactions energy: -93.381
where: short stacking energy: -38.306
Base-Backbone interact. energy: -0.417
local terms energy: -67.304962
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -17.004
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -7.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -98.972459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.972459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.972459 (E_RNA)
where:
Base-Base interactions energy: -45.941
where: short stacking energy: -30.582
Base-Backbone interact. energy: -0.215
local terms energy: -52.816804
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -14.862
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -5.506
tors. eta vs tors. theta energy: -1.067
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: 8
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -252.998775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.998775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.998775 (E_RNA)
where:
Base-Base interactions energy: -163.917
where: short stacking energy: -78.368
Base-Backbone interact. energy: -0.107
local terms energy: -88.974905
where:
bonds (distance) C4'-P energy: -18.172
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -20.758
flat angles P-C4'-P energy: -12.503
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: 2, replica: 5
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -213.513835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.513835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.513835 (E_RNA)
where:
Base-Base interactions energy: -133.494
where: short stacking energy: -64.091
Base-Backbone interact. energy: -0.051
local terms energy: -79.969070
where:
bonds (distance) C4'-P energy: -17.559
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -20.842
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -15.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -207.773406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.773406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.773406 (E_RNA)
where:
Base-Base interactions energy: -123.964
where: short stacking energy: -70.328
Base-Backbone interact. energy: -0.104
local terms energy: -83.705871
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -19.305
flat angles C4'-P-C4' energy: -17.292
flat angles P-C4'-P energy: -10.719
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: 4, replica: 2
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -220.493360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.493360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.493360 (E_RNA)
where:
Base-Base interactions energy: -137.518
where: short stacking energy: -65.584
Base-Backbone interact. energy: -0.199
local terms energy: -82.776318
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -18.328
flat angles C4'-P-C4' energy: -16.137
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -22.310
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: 1
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -186.258619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.258619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.258619 (E_RNA)
where:
Base-Base interactions energy: -115.681
where: short stacking energy: -54.246
Base-Backbone interact. energy: -0.175
local terms energy: -70.402730
where:
bonds (distance) C4'-P energy: -18.074
bonds (distance) P-C4' energy: -13.516
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -10.491
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: 7
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -184.483355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.483355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.483355 (E_RNA)
where:
Base-Base interactions energy: -107.414
where: short stacking energy: -58.798
Base-Backbone interact. energy: -1.328
local terms energy: -75.741448
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -12.285
flat angles C4'-P-C4' energy: -18.964
flat angles P-C4'-P energy: -13.346
tors. eta vs tors. theta energy: -17.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -183.835854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.835854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.835854 (E_RNA)
where:
Base-Base interactions energy: -111.399
where: short stacking energy: -60.022
Base-Backbone interact. energy: -0.008
local terms energy: -72.429052
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -12.527
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -18.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -105.688065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.688065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.688065 (E_RNA)
where:
Base-Base interactions energy: -41.101
where: short stacking energy: -39.094
Base-Backbone interact. energy: -0.460
local terms energy: -64.127445
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -17.613
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -7.296
tors. eta vs tors. theta energy: -7.666
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: 9, replica: 10
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -88.905627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.905627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.905627 (E_RNA)
where:
Base-Base interactions energy: -32.251
where: short stacking energy: -32.251
Base-Backbone interact. energy: 0.554
local terms energy: -57.208195
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -3.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -148.960037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.960037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.960037 (E_RNA)
where:
Base-Base interactions energy: -96.246
where: short stacking energy: -54.770
Base-Backbone interact. energy: 0.391
local terms energy: -53.105470
where:
bonds (distance) C4'-P energy: -7.528
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -11.913
flat angles P-C4'-P energy: -6.349
tors. eta vs tors. theta energy: -12.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -243.428116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.428116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.428116 (E_RNA)
where:
Base-Base interactions energy: -158.055
where: short stacking energy: -81.941
Base-Backbone interact. energy: -0.121
local terms energy: -85.252050
where:
bonds (distance) C4'-P energy: -18.685
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -19.552
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -22.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -217.350575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.350575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.350575 (E_RNA)
where:
Base-Base interactions energy: -135.847
where: short stacking energy: -69.731
Base-Backbone interact. energy: -0.262
local terms energy: -81.242133
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -18.643
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -19.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -202.268389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.268389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.268389 (E_RNA)
where:
Base-Base interactions energy: -118.647
where: short stacking energy: -60.304
Base-Backbone interact. energy: -0.179
local terms energy: -83.442295
where:
bonds (distance) C4'-P energy: -19.726
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -20.596
flat angles P-C4'-P energy: -13.215
tors. eta vs tors. theta energy: -13.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -214.424857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.424857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.424857 (E_RNA)
where:
Base-Base interactions energy: -138.459
where: short stacking energy: -66.859
Base-Backbone interact. energy: -0.124
local terms energy: -75.841557
where:
bonds (distance) C4'-P energy: -18.127
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -15.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -195.535936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.535936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.535936 (E_RNA)
where:
Base-Base interactions energy: -123.038
where: short stacking energy: -56.132
Base-Backbone interact. energy: -0.226
local terms energy: -72.271816
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -12.361
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: 6, replica: 7
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -183.430507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.430507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.430507 (E_RNA)
where:
Base-Base interactions energy: -108.599
where: short stacking energy: -55.967
Base-Backbone interact. energy: -1.442
local terms energy: -73.389617
where:
bonds (distance) C4'-P energy: -18.194
bonds (distance) P-C4' energy: -15.312
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -14.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -179.903779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.903779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.903779 (E_RNA)
where:
Base-Base interactions energy: -110.933
where: short stacking energy: -59.920
Base-Backbone interact. energy: -0.006
local terms energy: -68.964813
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -13.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -94.905419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.905419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.905419 (E_RNA)
where:
Base-Base interactions energy: -40.574
where: short stacking energy: -35.276
Base-Backbone interact. energy: -0.171
local terms energy: -54.160093
where:
bonds (distance) C4'-P energy: -18.359
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -8.068
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -6.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -91.550853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.550853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.550853 (E_RNA)
where:
Base-Base interactions energy: -41.202
where: short stacking energy: -28.514
Base-Backbone interact. energy: -0.140
local terms energy: -50.209310
where:
bonds (distance) C4'-P energy: -3.463
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -5.330
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: 10, replica: 4
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -155.975611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.975611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.975611 (E_RNA)
where:
Base-Base interactions energy: -90.121
where: short stacking energy: -49.286
Base-Backbone interact. energy: -0.169
local terms energy: -65.685949
where:
bonds (distance) C4'-P energy: -10.321
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -9.529
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: 230
Temperature: 0.900000
Total energy: -214.182447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.182447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.182447 (E_RNA)
where:
Base-Base interactions energy: -133.176
where: short stacking energy: -64.674
Base-Backbone interact. energy: -0.264
local terms energy: -80.743015
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -19.203
flat angles C4'-P-C4' energy: -18.965
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: -16.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -229.271569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.271569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.271569 (E_RNA)
where:
Base-Base interactions energy: -148.868
where: short stacking energy: -70.794
Base-Backbone interact. energy: -0.122
local terms energy: -80.280862
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -15.891
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -15.021
tors. eta vs tors. theta energy: -17.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -204.850736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.850736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.850736 (E_RNA)
where:
Base-Base interactions energy: -125.632
where: short stacking energy: -67.724
Base-Backbone interact. energy: -0.019
local terms energy: -79.199059
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -13.791
tors. eta vs tors. theta energy: -19.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -214.068791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.068791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.068791 (E_RNA)
where:
Base-Base interactions energy: -136.148
where: short stacking energy: -77.840
Base-Backbone interact. energy: -0.104
local terms energy: -77.816433
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -18.079
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -19.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -174.759903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.759903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.759903 (E_RNA)
where:
Base-Base interactions energy: -105.959
where: short stacking energy: -54.789
Base-Backbone interact. energy: -1.205
local terms energy: -67.596375
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -10.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -191.821946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.821946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.821946 (E_RNA)
where:
Base-Base interactions energy: -123.088
where: short stacking energy: -57.312
Base-Backbone interact. energy: -0.173
local terms energy: -68.561176
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -17.250
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -12.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -208.514796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.514796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.514796 (E_RNA)
where:
Base-Base interactions energy: -137.894
where: short stacking energy: -63.741
Base-Backbone interact. energy: -0.573
local terms energy: -70.048002
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -16.251
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -10.008
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: 8, replica: 3
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -107.673126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.673126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.673126 (E_RNA)
where:
Base-Base interactions energy: -48.152
where: short stacking energy: -23.843
Base-Backbone interact. energy: -0.277
local terms energy: -59.243906
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -17.272
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -2.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -147.945338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.945338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.945338 (E_RNA)
where:
Base-Base interactions energy: -84.894
where: short stacking energy: -43.964
Base-Backbone interact. energy: -0.084
local terms energy: -62.967307
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -7.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -93.318253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.318253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.318253 (E_RNA)
where:
Base-Base interactions energy: -46.168
where: short stacking energy: -21.790
Base-Backbone interact. energy: -0.341
local terms energy: -46.809390
where:
bonds (distance) C4'-P energy: -10.262
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -12.200
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: 2.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -220.891509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.891509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.891509 (E_RNA)
where:
Base-Base interactions energy: -134.926
where: short stacking energy: -69.308
Base-Backbone interact. energy: -0.192
local terms energy: -85.773604
where:
bonds (distance) C4'-P energy: -19.137
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -18.053
flat angles P-C4'-P energy: -13.562
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: 2, replica: 8
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -231.148185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.148185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.148185 (E_RNA)
where:
Base-Base interactions energy: -150.851
where: short stacking energy: -63.852
Base-Backbone interact. energy: -0.895
local terms energy: -79.402217
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -12.206
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: 3, replica: 5
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -207.387654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.387654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.387654 (E_RNA)
where:
Base-Base interactions energy: -120.854
where: short stacking energy: -63.596
Base-Backbone interact. energy: -0.203
local terms energy: -86.330834
where:
bonds (distance) C4'-P energy: -17.841
bonds (distance) P-C4' energy: -16.028
flat angles C4'-P-C4' energy: -20.633
flat angles P-C4'-P energy: -12.636
tors. eta vs tors. theta energy: -19.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -202.094683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.094683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.094683 (E_RNA)
where:
Base-Base interactions energy: -121.536
where: short stacking energy: -70.859
Base-Backbone interact. energy: -0.033
local terms energy: -80.525485
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -17.305
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -19.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -196.463339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.463339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.463339 (E_RNA)
where:
Base-Base interactions energy: -118.002
where: short stacking energy: -60.655
Base-Backbone interact. energy: -0.375
local terms energy: -78.086041
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -18.294
flat angles C4'-P-C4' energy: -15.460
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -20.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -180.226208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.226208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.226208 (E_RNA)
where:
Base-Base interactions energy: -100.635
where: short stacking energy: -59.317
Base-Backbone interact. energy: -0.045
local terms energy: -79.546240
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -20.631
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -15.134
tors. eta vs tors. theta energy: -16.574
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: 6
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -189.127703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.127703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.127703 (E_RNA)
where:
Base-Base interactions energy: -118.418
where: short stacking energy: -58.742
Base-Backbone interact. energy: -0.125
local terms energy: -70.584051
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -17.403
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: -10.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -128.794288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.794288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.794288 (E_RNA)
where:
Base-Base interactions energy: -64.637
where: short stacking energy: -37.174
Base-Backbone interact. energy: -0.198
local terms energy: -63.959620
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -14.898
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -6.469
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: 3
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -89.674580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.674580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.674580 (E_RNA)
where:
Base-Base interactions energy: -30.876
where: short stacking energy: -30.876
Base-Backbone interact. energy: -0.263
local terms energy: -58.536009
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -19.003
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -9.154
tors. eta vs tors. theta energy: -3.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -123.710664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.710664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.710664 (E_RNA)
where:
Base-Base interactions energy: -75.292
where: short stacking energy: -36.407
Base-Backbone interact. energy: -0.208
local terms energy: -48.210543
where:
bonds (distance) C4'-P energy: -10.626
bonds (distance) P-C4' energy: -13.717
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -4.523
tors. eta vs tors. theta energy: -4.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -241.743970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.743970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.743970 (E_RNA)
where:
Base-Base interactions energy: -157.329
where: short stacking energy: -79.153
Base-Backbone interact. energy: -0.382
local terms energy: -84.033073
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -17.600
flat angles P-C4'-P energy: -14.039
tors. eta vs tors. theta energy: -18.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -205.697450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.697450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.697450 (E_RNA)
where:
Base-Base interactions energy: -128.017
where: short stacking energy: -69.233
Base-Backbone interact. energy: -0.044
local terms energy: -77.635677
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -19.660
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -16.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -209.882371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.882371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.882371 (E_RNA)
where:
Base-Base interactions energy: -130.056
where: short stacking energy: -67.377
Base-Backbone interact. energy: -0.124
local terms energy: -79.701756
where:
bonds (distance) C4'-P energy: -15.810
bonds (distance) P-C4' energy: -16.046
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -12.573
tors. eta vs tors. theta energy: -20.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -210.563566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.563566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.563566 (E_RNA)
where:
Base-Base interactions energy: -137.466
where: short stacking energy: -77.524
Base-Backbone interact. energy: -0.060
local terms energy: -73.037415
where:
bonds (distance) C4'-P energy: -10.633
bonds (distance) P-C4' energy: -15.507
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -20.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -209.241964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.241964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.241964 (E_RNA)
where:
Base-Base interactions energy: -127.204
where: short stacking energy: -67.622
Base-Backbone interact. energy: -0.011
local terms energy: -82.026879
where:
bonds (distance) C4'-P energy: -16.121
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -12.382
tors. eta vs tors. theta energy: -22.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -183.858541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.858541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.858541 (E_RNA)
where:
Base-Base interactions energy: -112.349
where: short stacking energy: -72.366
Base-Backbone interact. energy: -0.161
local terms energy: -71.348923
where:
bonds (distance) C4'-P energy: -17.326
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -5.990
tors. eta vs tors. theta energy: -19.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -178.977863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.977863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.977863 (E_RNA)
where:
Base-Base interactions energy: -111.047
where: short stacking energy: -57.111
Base-Backbone interact. energy: 0.086
local terms energy: -68.016660
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -18.981
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -3.636
tors. eta vs tors. theta energy: -14.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -111.868306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.868306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.868306 (E_RNA)
where:
Base-Base interactions energy: -42.583
where: short stacking energy: -42.393
Base-Backbone interact. energy: -0.021
local terms energy: -69.264284
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -9.274
tors. eta vs tors. theta energy: -14.055
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: 10
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -135.310059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.310059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.310059 (E_RNA)
where:
Base-Base interactions energy: -81.588
where: short stacking energy: -38.534
Base-Backbone interact. energy: -0.375
local terms energy: -53.346402
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -12.417
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -7.595
tors. eta vs tors. theta energy: -4.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -88.692074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.692074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.692074 (E_RNA)
where:
Base-Base interactions energy: -30.783
where: short stacking energy: -30.783
Base-Backbone interact. energy: -0.004
local terms energy: -57.905830
where:
bonds (distance) C4'-P energy: -14.870
bonds (distance) P-C4' energy: -19.560
flat angles C4'-P-C4' energy: -9.102
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -2.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -243.097721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.097721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.097721 (E_RNA)
where:
Base-Base interactions energy: -155.991
where: short stacking energy: -77.974
Base-Backbone interact. energy: -0.151
local terms energy: -86.955889
where:
bonds (distance) C4'-P energy: -18.889
bonds (distance) P-C4' energy: -18.802
flat angles C4'-P-C4' energy: -19.168
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -20.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -223.202317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.202317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.202317 (E_RNA)
where:
Base-Base interactions energy: -139.638
where: short stacking energy: -81.965
Base-Backbone interact. energy: -1.005
local terms energy: -82.559643
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -19.972
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: -24.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -206.998238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.998238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.998238 (E_RNA)
where:
Base-Base interactions energy: -121.620
where: short stacking energy: -69.125
Base-Backbone interact. energy: -0.642
local terms energy: -84.735718
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -20.077
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -13.887
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: 4, replica: 7
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -199.607027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.607027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.607027 (E_RNA)
where:
Base-Base interactions energy: -121.851
where: short stacking energy: -58.390
Base-Backbone interact. energy: -0.131
local terms energy: -77.625015
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -19.528
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -16.319
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: 5
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -193.026164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.026164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.026164 (E_RNA)
where:
Base-Base interactions energy: -119.832
where: short stacking energy: -49.081
Base-Backbone interact. energy: -0.065
local terms energy: -73.128589
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -19.102
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -12.399
tors. eta vs tors. theta energy: -13.976
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: 233
Temperature: 1.150000
Total energy: -191.369494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.369494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.369494 (E_RNA)
where:
Base-Base interactions energy: -111.148
where: short stacking energy: -67.154
Base-Backbone interact. energy: -0.017
local terms energy: -80.203979
where:
bonds (distance) C4'-P energy: -19.132
bonds (distance) P-C4' energy: -11.028
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -14.414
tors. eta vs tors. theta energy: -18.755
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: 6
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -166.640989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.640989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.640989 (E_RNA)
where:
Base-Base interactions energy: -109.873
where: short stacking energy: -44.233
Base-Backbone interact. energy: -0.271
local terms energy: -56.496977
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -3.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -102.717817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.717817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.717817 (E_RNA)
where:
Base-Base interactions energy: -40.287
where: short stacking energy: -40.287
Base-Backbone interact. energy: -0.277
local terms energy: -62.154464
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -10.307
flat angles P-C4'-P energy: -13.785
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: 9, replica: 4
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -90.145203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.145203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.145203 (E_RNA)
where:
Base-Base interactions energy: -34.446
where: short stacking energy: -34.446
Base-Backbone interact. energy: -0.269
local terms energy: -55.430770
where:
bonds (distance) C4'-P energy: -11.699
bonds (distance) P-C4' energy: -18.524
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -3.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -98.711949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.711949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.711949 (E_RNA)
where:
Base-Base interactions energy: -37.861
where: short stacking energy: -33.602
Base-Backbone interact. energy: -0.162
local terms energy: -60.688349
where:
bonds (distance) C4'-P energy: -12.780
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -4.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -225.021745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.021745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.021745 (E_RNA)
where:
Base-Base interactions energy: -141.501
where: short stacking energy: -82.519
Base-Backbone interact. energy: -0.083
local terms energy: -83.437366
where:
bonds (distance) C4'-P energy: -19.434
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -17.238
flat angles P-C4'-P energy: -10.937
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: 8
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -243.792041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.792041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.792041 (E_RNA)
where:
Base-Base interactions energy: -159.499
where: short stacking energy: -76.212
Base-Backbone interact. energy: -0.212
local terms energy: -84.080661
where:
bonds (distance) C4'-P energy: -17.573
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -19.940
flat angles P-C4'-P energy: -14.175
tors. eta vs tors. theta energy: -18.505
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: 7
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -220.522953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.522953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.522953 (E_RNA)
where:
Base-Base interactions energy: -132.037
where: short stacking energy: -68.280
Base-Backbone interact. energy: -0.022
local terms energy: -88.464243
where:
bonds (distance) C4'-P energy: -19.468
bonds (distance) P-C4' energy: -21.110
flat angles C4'-P-C4' energy: -19.597
flat angles P-C4'-P energy: -6.864
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: 2
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -195.561313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.561313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.561313 (E_RNA)
where:
Base-Base interactions energy: -118.047
where: short stacking energy: -66.571
Base-Backbone interact. energy: -0.052
local terms energy: -77.461957
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -21.103
flat angles C4'-P-C4' energy: -17.440
flat angles P-C4'-P energy: -12.091
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: 5, replica: 5
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -190.415282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.415282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.415282 (E_RNA)
where:
Base-Base interactions energy: -129.670
where: short stacking energy: -55.556
Base-Backbone interact. energy: -0.145
local terms energy: -60.600362
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -7.690
tors. eta vs tors. theta energy: -10.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -194.346243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.346243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.346243 (E_RNA)
where:
Base-Base interactions energy: -114.094
where: short stacking energy: -69.443
Base-Backbone interact. energy: -0.039
local terms energy: -80.212962
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -19.748
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -22.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -177.424335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.424335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.424335 (E_RNA)
where:
Base-Base interactions energy: -109.147
where: short stacking energy: -56.947
Base-Backbone interact. energy: -0.149
local terms energy: -68.128217
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -17.080
flat angles C4'-P-C4' energy: -17.515
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -11.629
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: 10
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -99.268907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.268907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.268907 (E_RNA)
where:
Base-Base interactions energy: -37.732
where: short stacking energy: -37.732
Base-Backbone interact. energy: 0.774
local terms energy: -62.310680
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -17.926
flat angles C4'-P-C4' energy: -10.501
flat angles P-C4'-P energy: -13.479
tors. eta vs tors. theta energy: -3.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -89.042875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.042875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.042875 (E_RNA)
where:
Base-Base interactions energy: -37.242
where: short stacking energy: -32.975
Base-Backbone interact. energy: -0.079
local terms energy: -51.721653
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -7.163
tors. eta vs tors. theta energy: -1.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -86.957846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.957846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.957846 (E_RNA)
where:
Base-Base interactions energy: -38.996
where: short stacking energy: -37.170
Base-Backbone interact. energy: -0.187
local terms energy: -47.774959
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -9.512
flat angles C4'-P-C4' energy: -8.929
flat angles P-C4'-P energy: -6.184
tors. eta vs tors. theta energy: -7.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -222.532654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.532654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.532654 (E_RNA)
where:
Base-Base interactions energy: -137.804
where: short stacking energy: -68.319
Base-Backbone interact. energy: -1.428
local terms energy: -83.300410
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -21.843
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -17.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -217.561808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.561808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.561808 (E_RNA)
where:
Base-Base interactions energy: -136.960
where: short stacking energy: -71.486
Base-Backbone interact. energy: -0.076
local terms energy: -80.525655
where:
bonds (distance) C4'-P energy: -17.796
bonds (distance) P-C4' energy: -17.180
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -7.128
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: 3, replica: 8
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -228.946316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.946316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.946316 (E_RNA)
where:
Base-Base interactions energy: -147.316
where: short stacking energy: -70.899
Base-Backbone interact. energy: -0.132
local terms energy: -81.498426
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -19.525
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -18.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -200.200610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.200610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.200610 (E_RNA)
where:
Base-Base interactions energy: -115.663
where: short stacking energy: -58.800
Base-Backbone interact. energy: -0.049
local terms energy: -84.488019
where:
bonds (distance) C4'-P energy: -19.071
bonds (distance) P-C4' energy: -17.726
flat angles C4'-P-C4' energy: -17.446
flat angles P-C4'-P energy: -11.405
tors. eta vs tors. theta energy: -18.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -192.252752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.252752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.252752 (E_RNA)
where:
Base-Base interactions energy: -116.282
where: short stacking energy: -57.572
Base-Backbone interact. energy: -0.035
local terms energy: -75.935072
where:
bonds (distance) C4'-P energy: -18.527
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -15.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -160.281481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.281481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.281481 (E_RNA)
where:
Base-Base interactions energy: -97.850
where: short stacking energy: -47.746
Base-Backbone interact. energy: 0.008
local terms energy: -62.439376
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -12.163
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -8.989
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: 7, replica: 1
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -149.547907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.547907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.547907 (E_RNA)
where:
Base-Base interactions energy: -86.203
where: short stacking energy: -47.161
Base-Backbone interact. energy: 1.302
local terms energy: -64.647028
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -6.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -94.840115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.840115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.840115 (E_RNA)
where:
Base-Base interactions energy: -37.786
where: short stacking energy: -35.466
Base-Backbone interact. energy: -0.214
local terms energy: -56.839374
where:
bonds (distance) C4'-P energy: -19.250
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -5.745
tors. eta vs tors. theta energy: 0.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -99.775022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.775022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.775022 (E_RNA)
where:
Base-Base interactions energy: -33.310
where: short stacking energy: -33.310
Base-Backbone interact. energy: 0.685
local terms energy: -67.149664
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -18.670
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -5.996
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: 3
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -81.388012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.388012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.388012 (E_RNA)
where:
Base-Base interactions energy: -36.416
where: short stacking energy: -30.590
Base-Backbone interact. energy: 2.795
local terms energy: -47.766469
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -7.180
tors. eta vs tors. theta energy: 2.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -214.119421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.119421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.119421 (E_RNA)
where:
Base-Base interactions energy: -135.776
where: short stacking energy: -70.346
Base-Backbone interact. energy: -0.525
local terms energy: -77.818628
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -17.692
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -20.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -217.038608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.038608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.038608 (E_RNA)
where:
Base-Base interactions energy: -142.071
where: short stacking energy: -66.812
Base-Backbone interact. energy: -0.212
local terms energy: -74.756185
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -11.524
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -12.852
tors. eta vs tors. theta energy: -18.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -226.331480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.331480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.331480 (E_RNA)
where:
Base-Base interactions energy: -139.953
where: short stacking energy: -68.933
Base-Backbone interact. energy: -0.387
local terms energy: -85.991560
where:
bonds (distance) C4'-P energy: -15.565
bonds (distance) P-C4' energy: -19.051
flat angles C4'-P-C4' energy: -18.503
flat angles P-C4'-P energy: -16.171
tors. eta vs tors. theta energy: -16.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -199.464272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.464272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.464272 (E_RNA)
where:
Base-Base interactions energy: -119.337
where: short stacking energy: -61.817
Base-Backbone interact. energy: -0.208
local terms energy: -79.919048
where:
bonds (distance) C4'-P energy: -18.658
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -12.610
tors. eta vs tors. theta energy: -15.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -168.402676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.402676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.402676 (E_RNA)
where:
Base-Base interactions energy: -102.418
where: short stacking energy: -55.554
Base-Backbone interact. energy: -0.677
local terms energy: -65.307542
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -18.133
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -7.124
tors. eta vs tors. theta energy: -10.194
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: 6, replica: 2
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -191.607916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.607916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.607916 (E_RNA)
where:
Base-Base interactions energy: -127.218
where: short stacking energy: -59.796
Base-Backbone interact. energy: -0.528
local terms energy: -63.861517
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -9.721
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -14.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -154.211621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.211621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.211621 (E_RNA)
where:
Base-Base interactions energy: -95.911
where: short stacking energy: -51.015
Base-Backbone interact. energy: 2.647
local terms energy: -60.946969
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -10.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -95.933204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.933204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.933204 (E_RNA)
where:
Base-Base interactions energy: -38.699
where: short stacking energy: -38.699
Base-Backbone interact. energy: -0.143
local terms energy: -57.090995
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -3.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -96.577788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.577788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.577788 (E_RNA)
where:
Base-Base interactions energy: -33.912
where: short stacking energy: -28.930
Base-Backbone interact. energy: -0.342
local terms energy: -62.323855
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -16.838
flat angles C4'-P-C4' energy: -16.280
flat angles P-C4'-P energy: -10.879
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: 10, replica: 10
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -81.870874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.870874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.870874 (E_RNA)
where:
Base-Base interactions energy: -27.263
where: short stacking energy: -27.263
Base-Backbone interact. energy: -0.277
local terms energy: -54.330639
where:
bonds (distance) C4'-P energy: -17.931
bonds (distance) P-C4' energy: -17.458
flat angles C4'-P-C4' energy: -10.420
flat angles P-C4'-P energy: -8.906
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: 7
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -221.911541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.911541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.911541 (E_RNA)
where:
Base-Base interactions energy: -144.126
where: short stacking energy: -72.619
Base-Backbone interact. energy: -0.025
local terms energy: -77.760352
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -11.824
tors. eta vs tors. theta energy: -20.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -221.654524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.654524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.654524 (E_RNA)
where:
Base-Base interactions energy: -148.104
where: short stacking energy: -64.882
Base-Backbone interact. energy: -0.059
local terms energy: -73.492038
where:
bonds (distance) C4'-P energy: -18.330
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -5.542
tors. eta vs tors. theta energy: -18.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -211.547197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.547197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.547197 (E_RNA)
where:
Base-Base interactions energy: -138.396
where: short stacking energy: -66.525
Base-Backbone interact. energy: 0.164
local terms energy: -73.315108
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -13.506
flat angles C4'-P-C4' energy: -17.070
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: -16.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -190.488322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.488322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.488322 (E_RNA)
where:
Base-Base interactions energy: -117.564
where: short stacking energy: -56.904
Base-Backbone interact. energy: -0.253
local terms energy: -72.671806
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -11.246
flat angles P-C4'-P energy: -15.196
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: 5, replica: 6
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -172.111782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.111782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.111782 (E_RNA)
where:
Base-Base interactions energy: -103.519
where: short stacking energy: -52.861
Base-Backbone interact. energy: -0.115
local terms energy: -68.477356
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -15.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -184.737223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.737223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.737223 (E_RNA)
where:
Base-Base interactions energy: -113.634
where: short stacking energy: -60.974
Base-Backbone interact. energy: 0.618
local terms energy: -71.721226
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -17.563
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -13.630
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: 1
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -150.575259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.575259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.575259 (E_RNA)
where:
Base-Base interactions energy: -80.813
where: short stacking energy: -42.636
Base-Backbone interact. energy: -0.323
local terms energy: -69.440042
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -16.403
flat angles P-C4'-P energy: -11.714
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: 8, replica: 3
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -111.142937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.142937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.142937 (E_RNA)
where:
Base-Base interactions energy: -44.046
where: short stacking energy: -38.100
Base-Backbone interact. energy: 3.088
local terms energy: -70.185026
where:
bonds (distance) C4'-P energy: -18.922
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -11.148
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: 9, replica: 4
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -102.069182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.069182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.069182 (E_RNA)
where:
Base-Base interactions energy: -38.973
where: short stacking energy: -29.701
Base-Backbone interact. energy: -2.651
local terms energy: -60.445028
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -10.002
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -7.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -84.598651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.598651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.598651 (E_RNA)
where:
Base-Base interactions energy: -24.985
where: short stacking energy: -23.864
Base-Backbone interact. energy: -0.125
local terms energy: -59.488788
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -1.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -218.063577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.063577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.063577 (E_RNA)
where:
Base-Base interactions energy: -145.418
where: short stacking energy: -69.228
Base-Backbone interact. energy: -0.094
local terms energy: -72.552012
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -18.760
flat angles C4'-P-C4' energy: -16.953
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -11.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -213.297765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.297765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.297765 (E_RNA)
where:
Base-Base interactions energy: -127.222
where: short stacking energy: -64.810
Base-Backbone interact. energy: -0.079
local terms energy: -85.997133
where:
bonds (distance) C4'-P energy: -18.132
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -17.924
flat angles P-C4'-P energy: -12.198
tors. eta vs tors. theta energy: -20.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -211.336804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.336804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.336804 (E_RNA)
where:
Base-Base interactions energy: -131.588
where: short stacking energy: -70.133
Base-Backbone interact. energy: -0.027
local terms energy: -79.722200
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -13.174
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: 4, replica: 9
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -205.755930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.755930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.755930 (E_RNA)
where:
Base-Base interactions energy: -128.285
where: short stacking energy: -73.315
Base-Backbone interact. energy: -0.191
local terms energy: -77.279645
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -17.344
flat angles P-C4'-P energy: -6.579
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: 5, replica: 2
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -200.163845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.163845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.163845 (E_RNA)
where:
Base-Base interactions energy: -118.762
where: short stacking energy: -58.582
Base-Backbone interact. energy: -0.172
local terms energy: -81.229215
where:
bonds (distance) C4'-P energy: -19.195
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -19.091
flat angles P-C4'-P energy: -7.568
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: 6, replica: 6
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -176.992751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.992751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.992751 (E_RNA)
where:
Base-Base interactions energy: -108.525
where: short stacking energy: -50.894
Base-Backbone interact. energy: -0.785
local terms energy: -67.682290
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -18.988
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -12.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -154.602286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.602286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.602286 (E_RNA)
where:
Base-Base interactions energy: -84.482
where: short stacking energy: -46.942
Base-Backbone interact. energy: -0.058
local terms energy: -70.062389
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -17.544
flat angles P-C4'-P energy: -9.501
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: 8, replica: 3
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -88.939751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.939751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.939751 (E_RNA)
where:
Base-Base interactions energy: -37.171
where: short stacking energy: -33.787
Base-Backbone interact. energy: -0.147
local terms energy: -51.621392
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -16.654
flat angles C4'-P-C4' energy: -8.635
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -1.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -105.625994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.625994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.625994 (E_RNA)
where:
Base-Base interactions energy: -45.157
where: short stacking energy: -37.619
Base-Backbone interact. energy: -0.018
local terms energy: -60.450707
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -15.481
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -2.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -96.227267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.227267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.227267 (E_RNA)
where:
Base-Base interactions energy: -33.787
where: short stacking energy: -33.107
Base-Backbone interact. energy: -0.730
local terms energy: -61.709873
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -20.211
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -3.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -240.336026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.336026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.336026 (E_RNA)
where:
Base-Base interactions energy: -151.513
where: short stacking energy: -75.737
Base-Backbone interact. energy: -0.104
local terms energy: -88.718561
where:
bonds (distance) C4'-P energy: -18.213
bonds (distance) P-C4' energy: -18.776
flat angles C4'-P-C4' energy: -21.247
flat angles P-C4'-P energy: -10.057
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: 2, replica: 5
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -224.861398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.861398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.861398 (E_RNA)
where:
Base-Base interactions energy: -139.161
where: short stacking energy: -73.835
Base-Backbone interact. energy: -0.110
local terms energy: -85.589764
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -18.065
flat angles C4'-P-C4' energy: -19.639
flat angles P-C4'-P energy: -13.881
tors. eta vs tors. theta energy: -18.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -210.396703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.396703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.396703 (E_RNA)
where:
Base-Base interactions energy: -126.701
where: short stacking energy: -63.838
Base-Backbone interact. energy: -0.077
local terms energy: -83.619204
where:
bonds (distance) C4'-P energy: -17.520
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -19.931
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -16.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -202.849443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.849443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.849443 (E_RNA)
where:
Base-Base interactions energy: -131.531
where: short stacking energy: -70.612
Base-Backbone interact. energy: -0.025
local terms energy: -71.292739
where:
bonds (distance) C4'-P energy: -10.103
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -17.827
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -18.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -193.948336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.948336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.948336 (E_RNA)
where:
Base-Base interactions energy: -125.713
where: short stacking energy: -58.345
Base-Backbone interact. energy: -0.054
local terms energy: -68.181453
where:
bonds (distance) C4'-P energy: -10.769
bonds (distance) P-C4' energy: -10.767
flat angles C4'-P-C4' energy: -18.644
flat angles P-C4'-P energy: -13.084
tors. eta vs tors. theta energy: -14.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -165.155653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.155653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.155653 (E_RNA)
where:
Base-Base interactions energy: -91.876
where: short stacking energy: -56.507
Base-Backbone interact. energy: -0.020
local terms energy: -73.260265
where:
bonds (distance) C4'-P energy: -19.037
bonds (distance) P-C4' energy: -15.264
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -13.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -186.231768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.231768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.231768 (E_RNA)
where:
Base-Base interactions energy: -108.688
where: short stacking energy: -57.646
Base-Backbone interact. energy: -0.031
local terms energy: -77.512776
where:
bonds (distance) C4'-P energy: -17.411
bonds (distance) P-C4' energy: -18.053
flat angles C4'-P-C4' energy: -18.177
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -13.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -98.358315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.358315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.358315 (E_RNA)
where:
Base-Base interactions energy: -47.147
where: short stacking energy: -43.250
Base-Backbone interact. energy: -0.075
local terms energy: -51.136171
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -9.986
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -4.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -91.164065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.164065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.164065 (E_RNA)
where:
Base-Base interactions energy: -33.338
where: short stacking energy: -33.338
Base-Backbone interact. energy: -0.111
local terms energy: -57.715236
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -10.901
flat angles C4'-P-C4' energy: -11.304
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -11.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -80.915519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.915519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.915519 (E_RNA)
where:
Base-Base interactions energy: -25.429
where: short stacking energy: -25.668
Base-Backbone interact. energy: -0.298
local terms energy: -55.189226
where:
bonds (distance) C4'-P energy: -7.956
bonds (distance) P-C4' energy: -15.922
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -2.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -245.958467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.958467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.958467 (E_RNA)
where:
Base-Base interactions energy: -159.756
where: short stacking energy: -77.799
Base-Backbone interact. energy: -0.111
local terms energy: -86.091237
where:
bonds (distance) C4'-P energy: -18.329
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -21.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -217.831340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.831340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.831340 (E_RNA)
where:
Base-Base interactions energy: -133.448
where: short stacking energy: -60.710
Base-Backbone interact. energy: -0.354
local terms energy: -84.029709
where:
bonds (distance) C4'-P energy: -17.047
bonds (distance) P-C4' energy: -17.955
flat angles C4'-P-C4' energy: -18.799
flat angles P-C4'-P energy: -16.349
tors. eta vs tors. theta energy: -13.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -212.100490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.100490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.100490 (E_RNA)
where:
Base-Base interactions energy: -124.532
where: short stacking energy: -67.388
Base-Backbone interact. energy: -0.053
local terms energy: -87.515344
where:
bonds (distance) C4'-P energy: -18.197
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -20.861
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -20.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -198.200512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.200512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.200512 (E_RNA)
where:
Base-Base interactions energy: -114.665
where: short stacking energy: -60.017
Base-Backbone interact. energy: -0.037
local terms energy: -83.499077
where:
bonds (distance) C4'-P energy: -20.963
bonds (distance) P-C4' energy: -19.238
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -18.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -204.194969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.194969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.194969 (E_RNA)
where:
Base-Base interactions energy: -119.725
where: short stacking energy: -65.233
Base-Backbone interact. energy: 0.848
local terms energy: -85.318860
where:
bonds (distance) C4'-P energy: -19.762
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -18.243
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: -17.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -165.649931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.649931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.649931 (E_RNA)
where:
Base-Base interactions energy: -94.186
where: short stacking energy: -53.504
Base-Backbone interact. energy: -0.189
local terms energy: -71.274182
where:
bonds (distance) C4'-P energy: -10.038
bonds (distance) P-C4' energy: -19.023
flat angles C4'-P-C4' energy: -20.005
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -11.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -116.286552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.286552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.286552 (E_RNA)
where:
Base-Base interactions energy: -49.980
where: short stacking energy: -46.048
Base-Backbone interact. energy: 0.447
local terms energy: -66.753723
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -11.838
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -13.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -184.322051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.322051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.322051 (E_RNA)
where:
Base-Base interactions energy: -112.654
where: short stacking energy: -53.855
Base-Backbone interact. energy: -0.177
local terms energy: -71.491037
where:
bonds (distance) C4'-P energy: -17.745
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -13.038
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: 9, replica: 4
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -98.228982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.228982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.228982 (E_RNA)
where:
Base-Base interactions energy: -42.446
where: short stacking energy: -23.858
Base-Backbone interact. energy: -0.340
local terms energy: -55.443503
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -2.186
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: 10, replica: 3
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -96.248987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.248987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.248987 (E_RNA)
where:
Base-Base interactions energy: -33.210
where: short stacking energy: -33.210
Base-Backbone interact. energy: -0.013
local terms energy: -63.025890
where:
bonds (distance) C4'-P energy: -18.660
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -7.986
tors. eta vs tors. theta energy: -4.604
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: 8
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -253.620406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.620406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.620406 (E_RNA)
where:
Base-Base interactions energy: -174.653
where: short stacking energy: -86.696
Base-Backbone interact. energy: -0.112
local terms energy: -78.855174
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -19.624
flat angles P-C4'-P energy: -7.867
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: 5
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -198.071264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.071264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.071264 (E_RNA)
where:
Base-Base interactions energy: -123.123
where: short stacking energy: -68.180
Base-Backbone interact. energy: -0.014
local terms energy: -74.934323
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -20.219
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -3.779
tors. eta vs tors. theta energy: -17.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -197.742981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.742981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.742981 (E_RNA)
where:
Base-Base interactions energy: -125.874
where: short stacking energy: -61.590
Base-Backbone interact. energy: -0.329
local terms energy: -71.540958
where:
bonds (distance) C4'-P energy: -18.051
bonds (distance) P-C4' energy: -18.841
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -4.939
tors. eta vs tors. theta energy: -16.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -215.808249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.808249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.808249 (E_RNA)
where:
Base-Base interactions energy: -135.214
where: short stacking energy: -79.087
Base-Backbone interact. energy: -0.109
local terms energy: -80.484700
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -10.208
flat angles C4'-P-C4' energy: -19.487
flat angles P-C4'-P energy: -12.387
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: 5, replica: 7
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -180.204419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.204419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.204419 (E_RNA)
where:
Base-Base interactions energy: -111.585
where: short stacking energy: -54.460
Base-Backbone interact. energy: -0.056
local terms energy: -68.563324
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -19.030
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -13.022
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: 6, replica: 10
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -113.933962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.933962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.933962 (E_RNA)
where:
Base-Base interactions energy: -42.164
where: short stacking energy: -42.164
Base-Backbone interact. energy: -0.119
local terms energy: -71.650939
where:
bonds (distance) C4'-P energy: -19.530
bonds (distance) P-C4' energy: -17.597
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -6.115
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: 7, replica: 1
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -155.083469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.083469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.083469 (E_RNA)
where:
Base-Base interactions energy: -90.558
where: short stacking energy: -56.939
Base-Backbone interact. energy: -0.077
local terms energy: -64.448417
where:
bonds (distance) C4'-P energy: -17.791
bonds (distance) P-C4' energy: -20.147
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -2.989
tors. eta vs tors. theta energy: -9.263
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: 241
Temperature: 1.250000
Total energy: -171.990802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.990802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.990802 (E_RNA)
where:
Base-Base interactions energy: -98.913
where: short stacking energy: -51.689
Base-Backbone interact. energy: -0.231
local terms energy: -72.847167
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -19.359
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -11.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -96.993905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.993905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.993905 (E_RNA)
where:
Base-Base interactions energy: -39.443
where: short stacking energy: -27.713
Base-Backbone interact. energy: -0.720
local terms energy: -56.830576
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -11.281
tors. eta vs tors. theta energy: -0.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -96.843648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.843648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.843648 (E_RNA)
where:
Base-Base interactions energy: -40.882
where: short stacking energy: -34.995
Base-Backbone interact. energy: 0.865
local terms energy: -56.826663
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -18.060
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -6.846
tors. eta vs tors. theta energy: -8.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -239.578317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.578317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.578317 (E_RNA)
where:
Base-Base interactions energy: -153.361
where: short stacking energy: -74.610
Base-Backbone interact. energy: -0.074
local terms energy: -86.142928
where:
bonds (distance) C4'-P energy: -17.419
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -18.014
flat angles P-C4'-P energy: -13.477
tors. eta vs tors. theta energy: -20.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -217.812298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.812298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.812298 (E_RNA)
where:
Base-Base interactions energy: -135.541
where: short stacking energy: -73.817
Base-Backbone interact. energy: 0.367
local terms energy: -82.638058
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -18.779
flat angles C4'-P-C4' energy: -18.557
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -20.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -211.036561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.036561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.036561 (E_RNA)
where:
Base-Base interactions energy: -127.215
where: short stacking energy: -70.896
Base-Backbone interact. energy: -0.463
local terms energy: -83.358785
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -20.314
flat angles P-C4'-P energy: -13.318
tors. eta vs tors. theta energy: -19.014
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: 2
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -212.999351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.999351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.999351 (E_RNA)
where:
Base-Base interactions energy: -139.604
where: short stacking energy: -68.800
Base-Backbone interact. energy: -0.139
local terms energy: -73.256425
where:
bonds (distance) C4'-P energy: -18.810
bonds (distance) P-C4' energy: -18.610
flat angles C4'-P-C4' energy: -18.094
flat angles P-C4'-P energy: -5.008
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: 5, replica: 7
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -173.402739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.402739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.402739 (E_RNA)
where:
Base-Base interactions energy: -104.703
where: short stacking energy: -54.216
Base-Backbone interact. energy: -0.103
local terms energy: -68.596452
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -11.585
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -12.910
tors. eta vs tors. theta energy: -10.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -103.337721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.337721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.337721 (E_RNA)
where:
Base-Base interactions energy: -42.036
where: short stacking energy: -41.517
Base-Backbone interact. energy: -0.103
local terms energy: -61.198406
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -18.015
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -6.729
tors. eta vs tors. theta energy: -8.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -141.236363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.236363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.236363 (E_RNA)
where:
Base-Base interactions energy: -77.027
where: short stacking energy: -45.769
Base-Backbone interact. energy: -1.270
local terms energy: -62.938764
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -18.523
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -5.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -171.436313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.436313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.436313 (E_RNA)
where:
Base-Base interactions energy: -101.125
where: short stacking energy: -60.568
Base-Backbone interact. energy: -0.075
local terms energy: -70.236742
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -16.528
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -14.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -95.944994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.944994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.944994 (E_RNA)
where:
Base-Base interactions energy: -33.822
where: short stacking energy: -30.539
Base-Backbone interact. energy: 0.859
local terms energy: -62.981964
where:
bonds (distance) C4'-P energy: -13.977
bonds (distance) P-C4' energy: -15.429
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -6.030
tors. eta vs tors. theta energy: -11.084
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: 4
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -81.848158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.848158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.848158 (E_RNA)
where:
Base-Base interactions energy: -35.343
where: short stacking energy: -20.879
Base-Backbone interact. energy: -0.330
local terms energy: -46.175625
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -12.719
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: 6.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -251.537157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.537157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.537157 (E_RNA)
where:
Base-Base interactions energy: -166.662
where: short stacking energy: -76.731
Base-Backbone interact. energy: -0.198
local terms energy: -84.676859
where:
bonds (distance) C4'-P energy: -16.932
bonds (distance) P-C4' energy: -19.628
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -9.824
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: 2, replica: 5
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -230.839911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.839911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.839911 (E_RNA)
where:
Base-Base interactions energy: -138.898
where: short stacking energy: -81.458
Base-Backbone interact. energy: -0.000
local terms energy: -91.941710
where:
bonds (distance) C4'-P energy: -19.192
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -19.969
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -25.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -220.407464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.407464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.407464 (E_RNA)
where:
Base-Base interactions energy: -140.248
where: short stacking energy: -70.018
Base-Backbone interact. energy: -0.693
local terms energy: -79.466628
where:
bonds (distance) C4'-P energy: -19.327
bonds (distance) P-C4' energy: -14.429
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -13.315
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: 4, replica: 2
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -204.891510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.891510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.891510 (E_RNA)
where:
Base-Base interactions energy: -142.076
where: short stacking energy: -65.217
Base-Backbone interact. energy: 0.131
local terms energy: -62.946435
where:
bonds (distance) C4'-P energy: -15.111
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -9.180
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: -16.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -190.717605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.717605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.717605 (E_RNA)
where:
Base-Base interactions energy: -121.180
where: short stacking energy: -63.988
Base-Backbone interact. energy: -0.072
local terms energy: -69.466564
where:
bonds (distance) C4'-P energy: -11.031
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -18.592
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -16.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -195.184785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.184785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.184785 (E_RNA)
where:
Base-Base interactions energy: -126.634
where: short stacking energy: -65.266
Base-Backbone interact. energy: -0.291
local terms energy: -68.259403
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -14.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -101.384989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.384989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.384989 (E_RNA)
where:
Base-Base interactions energy: -36.891
where: short stacking energy: -36.891
Base-Backbone interact. energy: -0.181
local terms energy: -64.313450
where:
bonds (distance) C4'-P energy: -17.360
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -11.526
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -10.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -153.117923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.117923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.117923 (E_RNA)
where:
Base-Base interactions energy: -89.104
where: short stacking energy: -46.188
Base-Backbone interact. energy: -0.173
local terms energy: -63.841226
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -7.780
flat angles C4'-P-C4' energy: -17.424
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -10.486
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: 3
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -109.449945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.449945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.449945 (E_RNA)
where:
Base-Base interactions energy: -53.372
where: short stacking energy: -28.191
Base-Backbone interact. energy: 0.177
local terms energy: -56.255091
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -16.754
flat angles C4'-P-C4' energy: -11.220
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -1.499
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: 4
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -144.565501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.565501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.565501 (E_RNA)
where:
Base-Base interactions energy: -80.884
where: short stacking energy: -46.251
Base-Backbone interact. energy: -0.030
local terms energy: -63.651440
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -16.510
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -7.423
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: 5
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -214.518929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.518929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.518929 (E_RNA)
where:
Base-Base interactions energy: -128.558
where: short stacking energy: -66.794
Base-Backbone interact. energy: -0.349
local terms energy: -85.611621
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -16.345
flat angles C4'-P-C4' energy: -20.101
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -20.401
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: 2, replica: 8
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -228.323832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.323832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.323832 (E_RNA)
where:
Base-Base interactions energy: -147.452
where: short stacking energy: -67.592
Base-Backbone interact. energy: -0.108
local terms energy: -80.764423
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -20.923
flat angles C4'-P-C4' energy: -18.440
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -16.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -203.186182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.186182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.186182 (E_RNA)
where:
Base-Base interactions energy: -121.707
where: short stacking energy: -68.277
Base-Backbone interact. energy: -0.127
local terms energy: -81.351399
where:
bonds (distance) C4'-P energy: -19.841
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -18.945
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -18.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -203.824214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.824214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.824214 (E_RNA)
where:
Base-Base interactions energy: -131.834
where: short stacking energy: -61.545
Base-Backbone interact. energy: -0.141
local terms energy: -71.848959
where:
bonds (distance) C4'-P energy: -12.262
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -13.790
tors. eta vs tors. theta energy: -17.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -197.073522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.073522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.073522 (E_RNA)
where:
Base-Base interactions energy: -123.361
where: short stacking energy: -56.733
Base-Backbone interact. energy: -0.131
local terms energy: -73.580717
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -18.607
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -14.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -170.974801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.974801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.974801 (E_RNA)
where:
Base-Base interactions energy: -104.526
where: short stacking energy: -55.345
Base-Backbone interact. energy: -0.469
local terms energy: -65.979746
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -13.115
flat angles P-C4'-P energy: -4.974
tors. eta vs tors. theta energy: -13.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -168.092480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.092480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.092480 (E_RNA)
where:
Base-Base interactions energy: -102.289
where: short stacking energy: -68.324
Base-Backbone interact. energy: -0.044
local terms energy: -65.759403
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -14.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -89.031694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.031694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.031694 (E_RNA)
where:
Base-Base interactions energy: -37.151
where: short stacking energy: -26.012
Base-Backbone interact. energy: -0.150
local terms energy: -51.730051
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -5.834
tors. eta vs tors. theta energy: 0.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -95.303358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.303358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.303358 (E_RNA)
where:
Base-Base interactions energy: -37.803
where: short stacking energy: -37.803
Base-Backbone interact. energy: 0.617
local terms energy: -58.117316
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -10.850
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -6.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -103.676199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.676199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.676199 (E_RNA)
where:
Base-Base interactions energy: -41.342
where: short stacking energy: -39.332
Base-Backbone interact. energy: -0.744
local terms energy: -61.590378
where:
bonds (distance) C4'-P energy: -14.879
bonds (distance) P-C4' energy: -18.632
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -3.024
tors. eta vs tors. theta energy: -8.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -221.097388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.097388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.097388 (E_RNA)
where:
Base-Base interactions energy: -146.774
where: short stacking energy: -76.522
Base-Backbone interact. energy: -0.044
local terms energy: -74.279548
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -17.346
flat angles C4'-P-C4' energy: -18.035
flat angles P-C4'-P energy: -6.169
tors. eta vs tors. theta energy: -18.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -227.089840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.089840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.089840 (E_RNA)
where:
Base-Base interactions energy: -141.045
where: short stacking energy: -81.541
Base-Backbone interact. energy: -0.019
local terms energy: -86.025741
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -20.892
flat angles C4'-P-C4' energy: -20.002
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -19.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -232.944860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.944860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.944860 (E_RNA)
where:
Base-Base interactions energy: -153.226
where: short stacking energy: -75.930
Base-Backbone interact. energy: -0.170
local terms energy: -79.548079
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -18.564
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -18.733
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: 6
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -187.727655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.727655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.727655 (E_RNA)
where:
Base-Base interactions energy: -115.823
where: short stacking energy: -66.837
Base-Backbone interact. energy: -0.050
local terms energy: -71.854740
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -19.167
flat angles C4'-P-C4' energy: -11.396
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: -17.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -210.052342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.052342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.052342 (E_RNA)
where:
Base-Base interactions energy: -131.046
where: short stacking energy: -68.263
Base-Backbone interact. energy: -0.060
local terms energy: -78.946815
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -21.106
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -6.132
tors. eta vs tors. theta energy: -20.797
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: 1
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -165.566126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.566126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.566126 (E_RNA)
where:
Base-Base interactions energy: -95.305
where: short stacking energy: -57.899
Base-Backbone interact. energy: 0.871
local terms energy: -71.132558
where:
bonds (distance) C4'-P energy: -19.140
bonds (distance) P-C4' energy: -19.235
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -5.695
tors. eta vs tors. theta energy: -14.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -166.733176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.733176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.733176 (E_RNA)
where:
Base-Base interactions energy: -99.950
where: short stacking energy: -48.723
Base-Backbone interact. energy: -0.515
local terms energy: -66.267994
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -19.873
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -5.231
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: 8, replica: 4
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -87.874099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.874099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.874099 (E_RNA)
where:
Base-Base interactions energy: -35.772
where: short stacking energy: -35.503
Base-Backbone interact. energy: -0.168
local terms energy: -51.934164
where:
bonds (distance) C4'-P energy: -10.616
bonds (distance) P-C4' energy: -9.838
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -4.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -92.796213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.796213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.796213 (E_RNA)
where:
Base-Base interactions energy: -44.448
where: short stacking energy: -38.315
Base-Backbone interact. energy: -0.090
local terms energy: -48.258460
where:
bonds (distance) C4'-P energy: -7.751
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -11.005
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -2.924
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: 10, replica: 3
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -86.511198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.511198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.511198 (E_RNA)
where:
Base-Base interactions energy: -35.679
where: short stacking energy: -30.534
Base-Backbone interact. energy: -0.109
local terms energy: -50.723291
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -14.562
flat angles C4'-P-C4' energy: -11.364
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -1.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -239.155399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.155399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.155399 (E_RNA)
where:
Base-Base interactions energy: -161.303
where: short stacking energy: -80.637
Base-Backbone interact. energy: 1.827
local terms energy: -79.679270
where:
bonds (distance) C4'-P energy: -15.866
bonds (distance) P-C4' energy: -18.614
flat angles C4'-P-C4' energy: -20.169
flat angles P-C4'-P energy: -8.102
tors. eta vs tors. theta energy: -16.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -225.923480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.923480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.923480 (E_RNA)
where:
Base-Base interactions energy: -142.750
where: short stacking energy: -82.095
Base-Backbone interact. energy: -0.157
local terms energy: -83.016600
where:
bonds (distance) C4'-P energy: -18.330
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -24.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -226.546755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.546755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.546755 (E_RNA)
where:
Base-Base interactions energy: -153.961
where: short stacking energy: -73.500
Base-Backbone interact. energy: -0.224
local terms energy: -72.361757
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -12.601
flat angles C4'-P-C4' energy: -19.505
flat angles P-C4'-P energy: -5.641
tors. eta vs tors. theta energy: -18.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -167.311737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.311737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.311737 (E_RNA)
where:
Base-Base interactions energy: -95.140
where: short stacking energy: -58.242
Base-Backbone interact. energy: -0.133
local terms energy: -72.039352
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -18.784
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -12.810
tors. eta vs tors. theta energy: -9.952
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: 246
Temperature: 1.100000
Total energy: -200.209353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.209353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.209353 (E_RNA)
where:
Base-Base interactions energy: -129.353
where: short stacking energy: -62.531
Base-Backbone interact. energy: 0.104
local terms energy: -70.960605
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -15.965
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -12.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -171.806960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.806960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.806960 (E_RNA)
where:
Base-Base interactions energy: -96.433
where: short stacking energy: -61.568
Base-Backbone interact. energy: -0.001
local terms energy: -75.372674
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -18.248
flat angles P-C4'-P energy: -7.718
tors. eta vs tors. theta energy: -17.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -160.372021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.372021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.372021 (E_RNA)
where:
Base-Base interactions energy: -93.217
where: short stacking energy: -50.658
Base-Backbone interact. energy: -0.003
local terms energy: -67.151738
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -8.545
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: 4
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -103.248747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.248747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.248747 (E_RNA)
where:
Base-Base interactions energy: -37.853
where: short stacking energy: -36.889
Base-Backbone interact. energy: -1.109
local terms energy: -64.286733
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -17.495
flat angles P-C4'-P energy: -10.285
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: 9, replica: 10
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -94.491344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.491344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.491344 (E_RNA)
where:
Base-Base interactions energy: -34.048
where: short stacking energy: -34.048
Base-Backbone interact. energy: 0.774
local terms energy: -61.217271
where:
bonds (distance) C4'-P energy: -18.723
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -6.201
tors. eta vs tors. theta energy: -8.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -86.622693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.622693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.622693 (E_RNA)
where:
Base-Base interactions energy: -28.709
where: short stacking energy: -28.709
Base-Backbone interact. energy: -0.217
local terms energy: -57.696496
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -19.503
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -7.139
tors. eta vs tors. theta energy: -3.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -230.489084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.489084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.489084 (E_RNA)
where:
Base-Base interactions energy: -151.233
where: short stacking energy: -79.934
Base-Backbone interact. energy: -0.132
local terms energy: -79.124835
where:
bonds (distance) C4'-P energy: -9.959
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -22.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -223.842125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.842125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.842125 (E_RNA)
where:
Base-Base interactions energy: -143.577
where: short stacking energy: -79.555
Base-Backbone interact. energy: -0.011
local terms energy: -80.253910
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -18.741
flat angles P-C4'-P energy: -12.268
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: 8
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -217.871161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.871161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.871161 (E_RNA)
where:
Base-Base interactions energy: -137.869
where: short stacking energy: -67.660
Base-Backbone interact. energy: -0.591
local terms energy: -79.410825
where:
bonds (distance) C4'-P energy: -16.818
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -7.737
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: 4, replica: 9
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -206.201313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.201313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.201313 (E_RNA)
where:
Base-Base interactions energy: -126.067
where: short stacking energy: -62.169
Base-Backbone interact. energy: -0.162
local terms energy: -79.971881
where:
bonds (distance) C4'-P energy: -17.643
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -19.416
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -15.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -153.052371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.052371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.052371 (E_RNA)
where:
Base-Base interactions energy: -93.895
where: short stacking energy: -49.400
Base-Backbone interact. energy: 1.932
local terms energy: -61.089855
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -18.148
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -3.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -167.875897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.875897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.875897 (E_RNA)
where:
Base-Base interactions energy: -92.862
where: short stacking energy: -50.405
Base-Backbone interact. energy: 0.550
local terms energy: -75.563427
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -19.126
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -14.175
tors. eta vs tors. theta energy: -11.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -173.174466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.174466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.174466 (E_RNA)
where:
Base-Base interactions energy: -101.140
where: short stacking energy: -63.853
Base-Backbone interact. energy: -0.077
local terms energy: -71.957260
where:
bonds (distance) C4'-P energy: -17.552
bonds (distance) P-C4' energy: -13.736
flat angles C4'-P-C4' energy: -9.499
flat angles P-C4'-P energy: -13.259
tors. eta vs tors. theta energy: -17.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -87.810748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.810748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.810748 (E_RNA)
where:
Base-Base interactions energy: -37.296
where: short stacking energy: -37.296
Base-Backbone interact. energy: -0.244
local terms energy: -50.270644
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -4.929
tors. eta vs tors. theta energy: -0.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -87.159289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.159289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.159289 (E_RNA)
where:
Base-Base interactions energy: -27.655
where: short stacking energy: -27.655
Base-Backbone interact. energy: -0.239
local terms energy: -59.265143
where:
bonds (distance) C4'-P energy: -12.458
bonds (distance) P-C4' energy: -19.708
flat angles C4'-P-C4' energy: -19.130
flat angles P-C4'-P energy: -6.222
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: 3
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -89.776879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.776879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.776879 (E_RNA)
where:
Base-Base interactions energy: -38.132
where: short stacking energy: -30.604
Base-Backbone interact. energy: -0.195
local terms energy: -51.449935
where:
bonds (distance) C4'-P energy: -9.579
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -12.233
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -0.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -222.519160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.519160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.519160 (E_RNA)
where:
Base-Base interactions energy: -141.126
where: short stacking energy: -75.277
Base-Backbone interact. energy: -0.112
local terms energy: -81.281420
where:
bonds (distance) C4'-P energy: -17.569
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -17.525
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -17.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -233.292057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.292057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.292057 (E_RNA)
where:
Base-Base interactions energy: -154.262
where: short stacking energy: -86.719
Base-Backbone interact. energy: -0.100
local terms energy: -78.930801
where:
bonds (distance) C4'-P energy: -18.296
bonds (distance) P-C4' energy: -14.599
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -7.564
tors. eta vs tors. theta energy: -24.383
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: 3, replica: 8
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -223.045574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.045574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.045574 (E_RNA)
where:
Base-Base interactions energy: -137.637
where: short stacking energy: -73.955
Base-Backbone interact. energy: -0.023
local terms energy: -85.385565
where:
bonds (distance) C4'-P energy: -18.491
bonds (distance) P-C4' energy: -15.743
flat angles C4'-P-C4' energy: -20.928
flat angles P-C4'-P energy: -9.466
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: 9
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -225.112938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.112938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.112938 (E_RNA)
where:
Base-Base interactions energy: -131.058
where: short stacking energy: -73.845
Base-Backbone interact. energy: -0.097
local terms energy: -93.958574
where:
bonds (distance) C4'-P energy: -19.878
bonds (distance) P-C4' energy: -18.977
flat angles C4'-P-C4' energy: -18.397
flat angles P-C4'-P energy: -15.522
tors. eta vs tors. theta energy: -21.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -196.947756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.947756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.947756 (E_RNA)
where:
Base-Base interactions energy: -121.696
where: short stacking energy: -69.228
Base-Backbone interact. energy: -0.102
local terms energy: -75.149896
where:
bonds (distance) C4'-P energy: -12.058
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -12.013
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: 6, replica: 6
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -152.516823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.516823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.516823 (E_RNA)
where:
Base-Base interactions energy: -89.014
where: short stacking energy: -44.834
Base-Backbone interact. energy: -0.165
local terms energy: -63.337630
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -12.018
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -8.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -152.161903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.161903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.161903 (E_RNA)
where:
Base-Base interactions energy: -80.892
where: short stacking energy: -43.165
Base-Backbone interact. energy: -0.028
local terms energy: -71.241511
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -19.956
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -9.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -101.437503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.437503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.437503 (E_RNA)
where:
Base-Base interactions energy: -39.949
where: short stacking energy: -40.126
Base-Backbone interact. energy: -0.389
local terms energy: -61.100269
where:
bonds (distance) C4'-P energy: -15.243
bonds (distance) P-C4' energy: -9.139
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -11.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -99.273329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.273329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.273329 (E_RNA)
where:
Base-Base interactions energy: -37.236
where: short stacking energy: -30.165
Base-Backbone interact. energy: -0.056
local terms energy: -61.980688
where:
bonds (distance) C4'-P energy: -17.631
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -8.181
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: 10, replica: 3
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -107.384366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.384366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.384366 (E_RNA)
where:
Base-Base interactions energy: -53.178
where: short stacking energy: -25.888
Base-Backbone interact. energy: 0.754
local terms energy: -54.960375
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -13.204
flat angles P-C4'-P energy: -5.618
tors. eta vs tors. theta energy: -3.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -215.091128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.091128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.091128 (E_RNA)
where:
Base-Base interactions energy: -137.304
where: short stacking energy: -74.868
Base-Backbone interact. energy: -0.392
local terms energy: -77.395449
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -10.868
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: 2, replica: 2
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -237.470730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.470730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.470730 (E_RNA)
where:
Base-Base interactions energy: -156.482
where: short stacking energy: -80.339
Base-Backbone interact. energy: -0.128
local terms energy: -80.860926
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -12.947
tors. eta vs tors. theta energy: -19.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -212.341024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.341024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.341024 (E_RNA)
where:
Base-Base interactions energy: -131.932
where: short stacking energy: -68.090
Base-Backbone interact. energy: -0.074
local terms energy: -80.334317
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -19.144
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -18.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -205.025194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.025194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.025194 (E_RNA)
where:
Base-Base interactions energy: -127.498
where: short stacking energy: -62.192
Base-Backbone interact. energy: -0.111
local terms energy: -77.416017
where:
bonds (distance) C4'-P energy: -16.083
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -18.405
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -18.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -191.945044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.945044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.945044 (E_RNA)
where:
Base-Base interactions energy: -116.714
where: short stacking energy: -57.701
Base-Backbone interact. energy: -0.105
local terms energy: -75.126200
where:
bonds (distance) C4'-P energy: -17.945
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -6.416
tors. eta vs tors. theta energy: -17.410
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: 6
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -169.697933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.697933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.697933 (E_RNA)
where:
Base-Base interactions energy: -103.450
where: short stacking energy: -48.009
Base-Backbone interact. energy: -0.591
local terms energy: -65.657207
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -15.943
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -5.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -161.641417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.641417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.641417 (E_RNA)
where:
Base-Base interactions energy: -97.352
where: short stacking energy: -51.189
Base-Backbone interact. energy: -0.283
local terms energy: -64.006343
where:
bonds (distance) C4'-P energy: -9.359
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -8.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -107.304430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.304430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.304430 (E_RNA)
where:
Base-Base interactions energy: -48.630
where: short stacking energy: -35.171
Base-Backbone interact. energy: 1.205
local terms energy: -59.879453
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -14.801
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -5.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -98.365978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.365978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.365978 (E_RNA)
where:
Base-Base interactions energy: -42.849
where: short stacking energy: -42.849
Base-Backbone interact. energy: -0.121
local terms energy: -55.396527
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -3.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -128.630438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.630438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.630438 (E_RNA)
where:
Base-Base interactions energy: -71.076
where: short stacking energy: -32.736
Base-Backbone interact. energy: -0.814
local terms energy: -56.740896
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -1.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -240.134571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.134571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.134571 (E_RNA)
where:
Base-Base interactions energy: -161.706
where: short stacking energy: -78.344
Base-Backbone interact. energy: -0.091
local terms energy: -78.337659
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -16.122
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -19.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -218.184534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.184534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.184534 (E_RNA)
where:
Base-Base interactions energy: -136.727
where: short stacking energy: -77.309
Base-Backbone interact. energy: -0.104
local terms energy: -81.353926
where:
bonds (distance) C4'-P energy: -16.355
bonds (distance) P-C4' energy: -19.886
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -11.166
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: 3, replica: 9
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -202.240906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.240906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.240906 (E_RNA)
where:
Base-Base interactions energy: -123.173
where: short stacking energy: -68.650
Base-Backbone interact. energy: -0.288
local terms energy: -78.779626
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -17.103
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -17.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -217.634225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.634225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.634225 (E_RNA)
where:
Base-Base interactions energy: -140.375
where: short stacking energy: -66.330
Base-Backbone interact. energy: -0.731
local terms energy: -76.528113
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -12.995
tors. eta vs tors. theta energy: -18.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -188.615738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.615738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.615738 (E_RNA)
where:
Base-Base interactions energy: -109.497
where: short stacking energy: -58.586
Base-Backbone interact. energy: -0.174
local terms energy: -78.944855
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -18.373
flat angles P-C4'-P energy: -7.574
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: 6, replica: 6
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -156.378234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.378234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.378234 (E_RNA)
where:
Base-Base interactions energy: -86.835
where: short stacking energy: -46.369
Base-Backbone interact. energy: 0.581
local terms energy: -70.124256
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -20.348
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -9.727
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: 7, replica: 1
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -145.670407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.670407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.670407 (E_RNA)
where:
Base-Base interactions energy: -92.292
where: short stacking energy: -55.319
Base-Backbone interact. energy: -0.187
local terms energy: -53.191647
where:
bonds (distance) C4'-P energy: -9.415
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -5.320
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: 8, replica: 10
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -96.058960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.058960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.058960 (E_RNA)
where:
Base-Base interactions energy: -39.583
where: short stacking energy: -39.583
Base-Backbone interact. energy: 1.284
local terms energy: -57.760155
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -17.096
flat angles C4'-P-C4' energy: -11.283
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -5.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -114.537725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.537725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.537725 (E_RNA)
where:
Base-Base interactions energy: -63.739
where: short stacking energy: -27.883
Base-Backbone interact. energy: -0.038
local terms energy: -50.760962
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -18.266
flat angles C4'-P-C4' energy: -11.586
flat angles P-C4'-P energy: -6.788
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: 4
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -87.835589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.835589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.835589 (E_RNA)
where:
Base-Base interactions energy: -30.481
where: short stacking energy: -30.481
Base-Backbone interact. energy: 0.082
local terms energy: -57.437298
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -14.702
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -4.105
tors. eta vs tors. theta energy: -11.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -232.407014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.407014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.407014 (E_RNA)
where:
Base-Base interactions energy: -146.570
where: short stacking energy: -66.993
Base-Backbone interact. energy: -0.091
local terms energy: -85.746524
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -20.377
flat angles C4'-P-C4' energy: -20.075
flat angles P-C4'-P energy: -8.730
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: 9
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -217.665585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.665585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.665585 (E_RNA)
where:
Base-Base interactions energy: -137.027
where: short stacking energy: -82.968
Base-Backbone interact. energy: -0.115
local terms energy: -80.524066
where:
bonds (distance) C4'-P energy: -15.892
bonds (distance) P-C4' energy: -18.042
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -7.873
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: 3, replica: 5
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -215.276473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.276473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.276473 (E_RNA)
where:
Base-Base interactions energy: -126.764
where: short stacking energy: -67.854
Base-Backbone interact. energy: -0.190
local terms energy: -88.321896
where:
bonds (distance) C4'-P energy: -18.980
bonds (distance) P-C4' energy: -15.320
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -16.606
tors. eta vs tors. theta energy: -20.270
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: 7
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -183.991521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.991521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.991521 (E_RNA)
where:
Base-Base interactions energy: -116.817
where: short stacking energy: -62.895
Base-Backbone interact. energy: -0.014
local terms energy: -67.160323
where:
bonds (distance) C4'-P energy: -10.436
bonds (distance) P-C4' energy: -18.514
flat angles C4'-P-C4' energy: -17.932
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -10.249
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: 8
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -200.192736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.192736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.192736 (E_RNA)
where:
Base-Base interactions energy: -127.941
where: short stacking energy: -57.667
Base-Backbone interact. energy: -0.172
local terms energy: -72.079848
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -14.245
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -14.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -169.786970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.786970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.786970 (E_RNA)
where:
Base-Base interactions energy: -97.470
where: short stacking energy: -51.296
Base-Backbone interact. energy: -0.646
local terms energy: -71.671779
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -14.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -158.343075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.343075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.343075 (E_RNA)
where:
Base-Base interactions energy: -91.545
where: short stacking energy: -37.759
Base-Backbone interact. energy: -0.211
local terms energy: -66.586423
where:
bonds (distance) C4'-P energy: -17.370
bonds (distance) P-C4' energy: -12.394
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -11.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -90.821550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.821550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.821550 (E_RNA)
where:
Base-Base interactions energy: -31.782
where: short stacking energy: -20.332
Base-Backbone interact. energy: 1.422
local terms energy: -60.461903
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -2.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -94.120166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.120166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.120166 (E_RNA)
where:
Base-Base interactions energy: -29.125
where: short stacking energy: -25.822
Base-Backbone interact. energy: 2.059
local terms energy: -67.055016
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -18.765
flat angles P-C4'-P energy: -9.455
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: 10, replica: 4
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -82.114376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.114376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.114376 (E_RNA)
where:
Base-Base interactions energy: -26.151
where: short stacking energy: -25.776
Base-Backbone interact. energy: 0.815
local terms energy: -56.778130
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -8.952
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -5.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -218.612446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.612446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.612446 (E_RNA)
where:
Base-Base interactions energy: -133.856
where: short stacking energy: -63.547
Base-Backbone interact. energy: 0.088
local terms energy: -84.845371
where:
bonds (distance) C4'-P energy: -17.162
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -18.695
flat angles P-C4'-P energy: -13.766
tors. eta vs tors. theta energy: -17.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -225.311119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.311119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.311119 (E_RNA)
where:
Base-Base interactions energy: -146.753
where: short stacking energy: -68.707
Base-Backbone interact. energy: -0.056
local terms energy: -78.502783
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -18.850
flat angles P-C4'-P energy: -6.287
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: 3, replica: 5
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -205.977150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.977150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.977150 (E_RNA)
where:
Base-Base interactions energy: -127.655
where: short stacking energy: -64.353
Base-Backbone interact. energy: -0.211
local terms energy: -78.110698
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -16.010
flat angles C4'-P-C4' energy: -17.832
flat angles P-C4'-P energy: -7.645
tors. eta vs tors. theta energy: -20.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -165.027396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.027396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.027396 (E_RNA)
where:
Base-Base interactions energy: -98.344
where: short stacking energy: -56.234
Base-Backbone interact. energy: -0.375
local terms energy: -66.308422
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -16.595
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -6.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -209.309631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.309631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.309631 (E_RNA)
where:
Base-Base interactions energy: -134.116
where: short stacking energy: -61.262
Base-Backbone interact. energy: -0.148
local terms energy: -75.045884
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -18.079
flat angles C4'-P-C4' energy: -19.138
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -14.327
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: 1
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -155.857801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.857801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.857801 (E_RNA)
where:
Base-Base interactions energy: -96.439
where: short stacking energy: -50.988
Base-Backbone interact. energy: -0.145
local terms energy: -59.273709
where:
bonds (distance) C4'-P energy: -16.182
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -9.115
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -9.762
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: 6
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -168.090736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.090736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.090736 (E_RNA)
where:
Base-Base interactions energy: -104.253
where: short stacking energy: -44.944
Base-Backbone interact. energy: -0.167
local terms energy: -63.671247
where:
bonds (distance) C4'-P energy: -12.850
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -7.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -96.970369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.970369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.970369 (E_RNA)
where:
Base-Base interactions energy: -45.253
where: short stacking energy: -45.253
Base-Backbone interact. energy: 1.499
local terms energy: -53.216441
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -11.034
flat angles C4'-P-C4' energy: -19.151
flat angles P-C4'-P energy: -2.546
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: 9, replica: 3
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -103.325888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.325888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.325888 (E_RNA)
where:
Base-Base interactions energy: -42.879
where: short stacking energy: -37.092
Base-Backbone interact. energy: -0.146
local terms energy: -60.301290
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -18.845
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -5.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -92.476742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.476742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.476742 (E_RNA)
where:
Base-Base interactions energy: -42.231
where: short stacking energy: -36.802
Base-Backbone interact. energy: -0.400
local terms energy: -49.846474
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -19.552
flat angles C4'-P-C4' energy: -7.243
flat angles P-C4'-P energy: -9.726
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: 9
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -218.824894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.824894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.824894 (E_RNA)
where:
Base-Base interactions energy: -132.468
where: short stacking energy: -69.567
Base-Backbone interact. energy: -0.104
local terms energy: -86.253056
where:
bonds (distance) C4'-P energy: -17.361
bonds (distance) P-C4' energy: -18.695
flat angles C4'-P-C4' energy: -20.638
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -17.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -215.674752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.674752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.674752 (E_RNA)
where:
Base-Base interactions energy: -128.281
where: short stacking energy: -73.792
Base-Backbone interact. energy: -0.012
local terms energy: -87.381477
where:
bonds (distance) C4'-P energy: -17.672
bonds (distance) P-C4' energy: -15.757
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -15.190
tors. eta vs tors. theta energy: -20.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -219.048896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.048896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.048896 (E_RNA)
where:
Base-Base interactions energy: -145.122
where: short stacking energy: -70.682
Base-Backbone interact. energy: -0.223
local terms energy: -73.703484
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -17.996
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -12.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -212.912466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.912466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.912466 (E_RNA)
where:
Base-Base interactions energy: -138.280
where: short stacking energy: -66.196
Base-Backbone interact. energy: -0.136
local terms energy: -74.495992
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -17.917
flat angles P-C4'-P energy: -11.162
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: 5, replica: 7
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -169.088166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.088166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.088166 (E_RNA)
where:
Base-Base interactions energy: -105.093
where: short stacking energy: -53.425
Base-Backbone interact. energy: -0.337
local terms energy: -63.658807
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: -9.289
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: 6
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -174.169603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.169603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.169603 (E_RNA)
where:
Base-Base interactions energy: -108.209
where: short stacking energy: -57.211
Base-Backbone interact. energy: -0.448
local terms energy: -65.512815
where:
bonds (distance) C4'-P energy: -16.770
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: -10.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -156.327229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.327229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.327229 (E_RNA)
where:
Base-Base interactions energy: -93.052
where: short stacking energy: -52.332
Base-Backbone interact. energy: -0.093
local terms energy: -63.182927
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -3.296
tors. eta vs tors. theta energy: -14.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -88.320890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.320890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.320890 (E_RNA)
where:
Base-Base interactions energy: -28.419
where: short stacking energy: -28.419
Base-Backbone interact. energy: -0.151
local terms energy: -59.750869
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -9.120
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: 10
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -87.575496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.575496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.575496 (E_RNA)
where:
Base-Base interactions energy: -33.846
where: short stacking energy: -28.973
Base-Backbone interact. energy: -0.298
local terms energy: -53.431377
where:
bonds (distance) C4'-P energy: -11.018
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -8.306
tors. eta vs tors. theta energy: -4.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -96.165728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.165728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.165728 (E_RNA)
where:
Base-Base interactions energy: -47.604
where: short stacking energy: -24.627
Base-Backbone interact. energy: 0.732
local terms energy: -49.293896
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -14.421
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: 0.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -231.097645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.097645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.097645 (E_RNA)
where:
Base-Base interactions energy: -143.702
where: short stacking energy: -72.753
Base-Backbone interact. energy: -0.007
local terms energy: -87.388528
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -20.369
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -21.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -225.122156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.122156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.122156 (E_RNA)
where:
Base-Base interactions energy: -142.552
where: short stacking energy: -74.444
Base-Backbone interact. energy: -0.682
local terms energy: -81.888460
where:
bonds (distance) C4'-P energy: -17.659
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -18.941
flat angles P-C4'-P energy: -12.829
tors. eta vs tors. theta energy: -17.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -204.222724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.222724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.222724 (E_RNA)
where:
Base-Base interactions energy: -135.803
where: short stacking energy: -74.013
Base-Backbone interact. energy: -0.146
local terms energy: -68.273016
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -18.055
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -4.243
tors. eta vs tors. theta energy: -19.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -210.415030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.415030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.415030 (E_RNA)
where:
Base-Base interactions energy: -132.896
where: short stacking energy: -57.843
Base-Backbone interact. energy: -0.727
local terms energy: -76.792583
where:
bonds (distance) C4'-P energy: -18.023
bonds (distance) P-C4' energy: -15.951
flat angles C4'-P-C4' energy: -18.564
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -12.604
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: 6
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -195.004050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.004050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.004050 (E_RNA)
where:
Base-Base interactions energy: -137.034
where: short stacking energy: -61.724
Base-Backbone interact. energy: -0.081
local terms energy: -57.889085
where:
bonds (distance) C4'-P energy: -8.836
bonds (distance) P-C4' energy: -12.748
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -11.713
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: 7
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -177.747810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.747810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.747810 (E_RNA)
where:
Base-Base interactions energy: -108.441
where: short stacking energy: -53.374
Base-Backbone interact. energy: -0.030
local terms energy: -69.276834
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -12.366
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -14.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -168.249617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.249617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.249617 (E_RNA)
where:
Base-Base interactions energy: -96.010
where: short stacking energy: -58.207
Base-Backbone interact. energy: -0.089
local terms energy: -72.150263
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -18.387
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -16.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -101.156248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.156248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.156248 (E_RNA)
where:
Base-Base interactions energy: -46.176
where: short stacking energy: -28.961
Base-Backbone interact. energy: -0.513
local terms energy: -54.467622
where:
bonds (distance) C4'-P energy: -11.984
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -2.496
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: 4
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -98.572805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.572805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.572805 (E_RNA)
where:
Base-Base interactions energy: -51.733
where: short stacking energy: -25.033
Base-Backbone interact. energy: 1.722
local terms energy: -48.561769
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -20.212
flat angles C4'-P-C4' energy: -6.797
flat angles P-C4'-P energy: -3.950
tors. eta vs tors. theta energy: -0.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -83.649027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.649027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.649027 (E_RNA)
where:
Base-Base interactions energy: -37.862
where: short stacking energy: -34.318
Base-Backbone interact. energy: -0.913
local terms energy: -44.873752
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -8.597
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -3.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -224.210296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.210296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.210296 (E_RNA)
where:
Base-Base interactions energy: -146.332
where: short stacking energy: -71.307
Base-Backbone interact. energy: 0.696
local terms energy: -78.574283
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -20.585
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -17.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -218.740819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.740819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.740819 (E_RNA)
where:
Base-Base interactions energy: -136.529
where: short stacking energy: -67.764
Base-Backbone interact. energy: -0.047
local terms energy: -82.165215
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -17.240
flat angles C4'-P-C4' energy: -18.758
flat angles P-C4'-P energy: -12.813
tors. eta vs tors. theta energy: -18.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -223.183778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.183778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.183778 (E_RNA)
where:
Base-Base interactions energy: -149.861
where: short stacking energy: -76.629
Base-Backbone interact. energy: -0.024
local terms energy: -73.298748
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -16.301
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -5.244
tors. eta vs tors. theta energy: -20.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -205.787871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.787871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.787871 (E_RNA)
where:
Base-Base interactions energy: -134.480
where: short stacking energy: -50.745
Base-Backbone interact. energy: -0.382
local terms energy: -70.926016
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -12.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -206.772186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.772186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.772186 (E_RNA)
where:
Base-Base interactions energy: -132.890
where: short stacking energy: -62.059
Base-Backbone interact. energy: -0.233
local terms energy: -73.649337
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -17.625
flat angles P-C4'-P energy: -5.065
tors. eta vs tors. theta energy: -16.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -168.626039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.626039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.626039 (E_RNA)
where:
Base-Base interactions energy: -97.220
where: short stacking energy: -60.330
Base-Backbone interact. energy: -0.618
local terms energy: -70.788066
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -9.201
tors. eta vs tors. theta energy: -20.002
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: 7
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -185.252602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.252602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.252602 (E_RNA)
where:
Base-Base interactions energy: -119.796
where: short stacking energy: -64.113
Base-Backbone interact. energy: -0.592
local terms energy: -64.864390
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -10.355
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -8.297
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: 8, replica: 3
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -93.401966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.401966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.401966 (E_RNA)
where:
Base-Base interactions energy: -38.477
where: short stacking energy: -31.370
Base-Backbone interact. energy: -0.227
local terms energy: -54.697779
where:
bonds (distance) C4'-P energy: -16.985
bonds (distance) P-C4' energy: -17.852
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -6.934
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: 9, replica: 4
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -101.119555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.119555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.119555 (E_RNA)
where:
Base-Base interactions energy: -37.142
where: short stacking energy: -37.142
Base-Backbone interact. energy: -0.114
local terms energy: -63.863664
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -5.090
tors. eta vs tors. theta energy: -8.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -92.869150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.869150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.869150 (E_RNA)
where:
Base-Base interactions energy: -44.159
where: short stacking energy: -23.220
Base-Backbone interact. energy: -0.590
local terms energy: -48.120694
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -8.403
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: 256
Temperature: 0.900000
Total energy: -226.903001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.903001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.903001 (E_RNA)
where:
Base-Base interactions energy: -142.704
where: short stacking energy: -76.810
Base-Backbone interact. energy: -0.000
local terms energy: -84.198194
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -19.506
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -22.428
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: 5
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -214.223560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.223560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.223560 (E_RNA)
where:
Base-Base interactions energy: -126.005
where: short stacking energy: -71.452
Base-Backbone interact. energy: -0.076
local terms energy: -88.143029
where:
bonds (distance) C4'-P energy: -15.388
bonds (distance) P-C4' energy: -18.774
flat angles C4'-P-C4' energy: -19.651
flat angles P-C4'-P energy: -13.143
tors. eta vs tors. theta energy: -21.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -222.324186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.324186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.324186 (E_RNA)
where:
Base-Base interactions energy: -144.204
where: short stacking energy: -60.730
Base-Backbone interact. energy: -0.920
local terms energy: -77.200028
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -15.640
tors. eta vs tors. theta energy: -15.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -219.348255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.348255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.348255 (E_RNA)
where:
Base-Base interactions energy: -136.614
where: short stacking energy: -66.908
Base-Backbone interact. energy: -0.015
local terms energy: -82.718928
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -14.879
tors. eta vs tors. theta energy: -20.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -208.998126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.998126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.998126 (E_RNA)
where:
Base-Base interactions energy: -128.505
where: short stacking energy: -60.279
Base-Backbone interact. energy: -0.121
local terms energy: -80.372053
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -18.133
flat angles P-C4'-P energy: -13.738
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: 1
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -192.911545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.911545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.911545 (E_RNA)
where:
Base-Base interactions energy: -118.990
where: short stacking energy: -45.893
Base-Backbone interact. energy: -0.292
local terms energy: -73.629767
where:
bonds (distance) C4'-P energy: -17.695
bonds (distance) P-C4' energy: -17.512
flat angles C4'-P-C4' energy: -17.654
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -10.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -178.160056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.160056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.160056 (E_RNA)
where:
Base-Base interactions energy: -100.761
where: short stacking energy: -49.885
Base-Backbone interact. energy: -0.053
local terms energy: -77.346381
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -18.606
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -13.540
tors. eta vs tors. theta energy: -14.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -111.307219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.307219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.307219 (E_RNA)
where:
Base-Base interactions energy: -45.053
where: short stacking energy: -45.053
Base-Backbone interact. energy: -0.309
local terms energy: -65.945172
where:
bonds (distance) C4'-P energy: -9.913
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -13.162
tors. eta vs tors. theta energy: -11.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -92.036431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.036431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.036431 (E_RNA)
where:
Base-Base interactions energy: -32.954
where: short stacking energy: -32.954
Base-Backbone interact. energy: -0.175
local terms energy: -58.907853
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -5.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -82.622665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.622665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.622665 (E_RNA)
where:
Base-Base interactions energy: -39.443
where: short stacking energy: -30.211
Base-Backbone interact. energy: -0.112
local terms energy: -43.067749
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -7.958
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -3.724
tors. eta vs tors. theta energy: -2.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -221.509332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.509332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.509332 (E_RNA)
where:
Base-Base interactions energy: -135.076
where: short stacking energy: -78.343
Base-Backbone interact. energy: -0.444
local terms energy: -85.989145
where:
bonds (distance) C4'-P energy: -17.646
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -17.952
flat angles P-C4'-P energy: -12.095
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: 2, replica: 6
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -224.127132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.127132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.127132 (E_RNA)
where:
Base-Base interactions energy: -144.615
where: short stacking energy: -65.460
Base-Backbone interact. energy: -0.654
local terms energy: -78.857739
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -18.266
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -16.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -224.678049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.678049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.678049 (E_RNA)
where:
Base-Base interactions energy: -146.713
where: short stacking energy: -79.014
Base-Backbone interact. energy: -0.197
local terms energy: -77.768323
where:
bonds (distance) C4'-P energy: -18.523
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -18.941
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: 4, replica: 2
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -206.476691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.476691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.476691 (E_RNA)
where:
Base-Base interactions energy: -124.368
where: short stacking energy: -53.093
Base-Backbone interact. energy: -0.098
local terms energy: -82.011018
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -18.375
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -17.807
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: 8
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -208.310735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.310735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.310735 (E_RNA)
where:
Base-Base interactions energy: -131.964
where: short stacking energy: -74.086
Base-Backbone interact. energy: -0.024
local terms energy: -76.322522
where:
bonds (distance) C4'-P energy: -16.270
bonds (distance) P-C4' energy: -14.658
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -21.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -173.467590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.467590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.467590 (E_RNA)
where:
Base-Base interactions energy: -99.308
where: short stacking energy: -45.985
Base-Backbone interact. energy: -0.023
local terms energy: -74.136631
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -18.794
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -12.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -179.819228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.819228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.819228 (E_RNA)
where:
Base-Base interactions energy: -119.300
where: short stacking energy: -42.143
Base-Backbone interact. energy: -0.051
local terms energy: -60.468552
where:
bonds (distance) C4'-P energy: -16.530
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -5.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -88.858589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.858589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.858589 (E_RNA)
where:
Base-Base interactions energy: -30.927
where: short stacking energy: -27.871
Base-Backbone interact. energy: 0.106
local terms energy: -58.038026
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -13.618
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -5.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -83.899884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.899884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.899884 (E_RNA)
where:
Base-Base interactions energy: -31.952
where: short stacking energy: -31.952
Base-Backbone interact. energy: -0.130
local terms energy: -51.818300
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -10.156
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: -2.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -91.644973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.644973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.644973 (E_RNA)
where:
Base-Base interactions energy: -45.885
where: short stacking energy: -34.664
Base-Backbone interact. energy: 0.617
local terms energy: -46.377609
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -10.314
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: 3.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -226.129344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.129344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.129344 (E_RNA)
where:
Base-Base interactions energy: -152.240
where: short stacking energy: -62.665
Base-Backbone interact. energy: 0.586
local terms energy: -74.475380
where:
bonds (distance) C4'-P energy: -19.709
bonds (distance) P-C4' energy: -15.186
flat angles C4'-P-C4' energy: -17.516
flat angles P-C4'-P energy: -6.270
tors. eta vs tors. theta energy: -15.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -224.378085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.378085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.378085 (E_RNA)
where:
Base-Base interactions energy: -152.586
where: short stacking energy: -71.365
Base-Backbone interact. energy: -0.433
local terms energy: -71.359322
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -13.044
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -18.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -209.849635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.849635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.849635 (E_RNA)
where:
Base-Base interactions energy: -128.884
where: short stacking energy: -60.021
Base-Backbone interact. energy: -0.069
local terms energy: -80.895800
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -13.973
tors. eta vs tors. theta energy: -16.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -203.290215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.290215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.290215 (E_RNA)
where:
Base-Base interactions energy: -131.366
where: short stacking energy: -58.636
Base-Backbone interact. energy: -0.103
local terms energy: -71.821275
where:
bonds (distance) C4'-P energy: -18.931
bonds (distance) P-C4' energy: -11.735
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -15.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -192.341262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.341262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.341262 (E_RNA)
where:
Base-Base interactions energy: -114.571
where: short stacking energy: -67.827
Base-Backbone interact. energy: -0.035
local terms energy: -77.735497
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: -19.469
flat angles P-C4'-P energy: -12.949
tors. eta vs tors. theta energy: -18.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -192.300273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.300273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.300273 (E_RNA)
where:
Base-Base interactions energy: -122.454
where: short stacking energy: -55.275
Base-Backbone interact. energy: 2.738
local terms energy: -72.584156
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -17.846
flat angles P-C4'-P energy: -13.366
tors. eta vs tors. theta energy: -9.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -184.651842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.651842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.651842 (E_RNA)
where:
Base-Base interactions energy: -120.586
where: short stacking energy: -54.514
Base-Backbone interact. energy: -0.137
local terms energy: -63.928088
where:
bonds (distance) C4'-P energy: -8.874
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -11.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -101.503435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.503435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.503435 (E_RNA)
where:
Base-Base interactions energy: -39.923
where: short stacking energy: -36.945
Base-Backbone interact. energy: 0.397
local terms energy: -61.977656
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -14.068
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -8.161
tors. eta vs tors. theta energy: -8.320
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: 4
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -86.592711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.592711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.592711 (E_RNA)
where:
Base-Base interactions energy: -31.450
where: short stacking energy: -30.658
Base-Backbone interact. energy: 2.954
local terms energy: -58.096418
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -15.260
flat angles C4'-P-C4' energy: -16.936
flat angles P-C4'-P energy: -7.090
tors. eta vs tors. theta energy: -4.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -86.187694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.187694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.187694 (E_RNA)
where:
Base-Base interactions energy: -37.102
where: short stacking energy: -33.126
Base-Backbone interact. energy: -0.191
local terms energy: -48.894429
where:
bonds (distance) C4'-P energy: -18.427
bonds (distance) P-C4' energy: -9.221
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -6.311
tors. eta vs tors. theta energy: 0.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -221.710361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.710361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.710361 (E_RNA)
where:
Base-Base interactions energy: -146.424
where: short stacking energy: -65.163
Base-Backbone interact. energy: -0.330
local terms energy: -74.955744
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -19.725
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -14.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -228.870929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.870929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.870929 (E_RNA)
where:
Base-Base interactions energy: -151.207
where: short stacking energy: -72.195
Base-Backbone interact. energy: -0.184
local terms energy: -77.479823
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -11.652
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: 6
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -221.857240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.857240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.857240 (E_RNA)
where:
Base-Base interactions energy: -133.072
where: short stacking energy: -65.999
Base-Backbone interact. energy: -0.084
local terms energy: -88.700946
where:
bonds (distance) C4'-P energy: -17.507
bonds (distance) P-C4' energy: -19.384
flat angles C4'-P-C4' energy: -20.651
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -17.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -191.365467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.365467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.365467 (E_RNA)
where:
Base-Base interactions energy: -123.683
where: short stacking energy: -65.953
Base-Backbone interact. energy: -0.267
local terms energy: -67.415822
where:
bonds (distance) C4'-P energy: -10.884
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -15.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -176.147647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.147647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.147647 (E_RNA)
where:
Base-Base interactions energy: -114.334
where: short stacking energy: -52.102
Base-Backbone interact. energy: -0.127
local terms energy: -61.686071
where:
bonds (distance) C4'-P energy: -11.430
bonds (distance) P-C4' energy: -19.433
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -5.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -161.919840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.919840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.919840 (E_RNA)
where:
Base-Base interactions energy: -87.138
where: short stacking energy: -48.090
Base-Backbone interact. energy: -0.393
local terms energy: -74.388022
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -18.198
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -12.856
tors. eta vs tors. theta energy: -13.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -195.617373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.617373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.617373 (E_RNA)
where:
Base-Base interactions energy: -126.429
where: short stacking energy: -56.298
Base-Backbone interact. energy: -0.071
local terms energy: -69.117881
where:
bonds (distance) C4'-P energy: -17.320
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: -11.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -111.540305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.540305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.540305 (E_RNA)
where:
Base-Base interactions energy: -63.934
where: short stacking energy: -32.979
Base-Backbone interact. energy: 1.274
local terms energy: -48.880514
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -17.994
flat angles C4'-P-C4' energy: -12.837
flat angles P-C4'-P energy: -1.373
tors. eta vs tors. theta energy: -0.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -125.024439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.024439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.024439 (E_RNA)
where:
Base-Base interactions energy: -64.520
where: short stacking energy: -36.998
Base-Backbone interact. energy: 0.060
local terms energy: -60.564595
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -14.093
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -3.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -82.641001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.641001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.641001 (E_RNA)
where:
Base-Base interactions energy: -33.857
where: short stacking energy: -28.213
Base-Backbone interact. energy: 1.149
local terms energy: -49.932511
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -11.212
flat angles C4'-P-C4' energy: -10.851
flat angles P-C4'-P energy: -8.048
tors. eta vs tors. theta energy: -4.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -246.822570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.822570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.822570 (E_RNA)
where:
Base-Base interactions energy: -164.194
where: short stacking energy: -80.162
Base-Backbone interact. energy: -0.071
local terms energy: -82.557820
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -15.102
flat angles C4'-P-C4' energy: -18.534
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -25.057
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: 2, replica: 9
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -214.769242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.769242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.769242 (E_RNA)
where:
Base-Base interactions energy: -133.633
where: short stacking energy: -61.220
Base-Backbone interact. energy: -0.205
local terms energy: -80.931176
where:
bonds (distance) C4'-P energy: -13.774
bonds (distance) P-C4' energy: -21.311
flat angles C4'-P-C4' energy: -20.194
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -13.347
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: 5
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -208.045666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.045666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.045666 (E_RNA)
where:
Base-Base interactions energy: -131.919
where: short stacking energy: -63.902
Base-Backbone interact. energy: -0.095
local terms energy: -76.031591
where:
bonds (distance) C4'-P energy: -19.021
bonds (distance) P-C4' energy: -15.852
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -16.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -217.503959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.503959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.503959 (E_RNA)
where:
Base-Base interactions energy: -142.183
where: short stacking energy: -64.957
Base-Backbone interact. energy: -0.560
local terms energy: -74.761174
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -17.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -187.512027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.512027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.512027 (E_RNA)
where:
Base-Base interactions energy: -104.662
where: short stacking energy: -44.943
Base-Backbone interact. energy: -0.143
local terms energy: -82.706802
where:
bonds (distance) C4'-P energy: -16.762
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -18.386
flat angles P-C4'-P energy: -13.628
tors. eta vs tors. theta energy: -19.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -169.200365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.200365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.200365 (E_RNA)
where:
Base-Base interactions energy: -98.646
where: short stacking energy: -50.487
Base-Backbone interact. energy: -0.186
local terms energy: -70.368367
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -18.221
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -11.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -200.162263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.162263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.162263 (E_RNA)
where:
Base-Base interactions energy: -127.900
where: short stacking energy: -63.626
Base-Backbone interact. energy: -0.023
local terms energy: -72.239011
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -11.234
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: 8, replica: 4
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -116.176151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.176151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.176151 (E_RNA)
where:
Base-Base interactions energy: -47.412
where: short stacking energy: -38.662
Base-Backbone interact. energy: -0.442
local terms energy: -68.321895
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -17.030
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -9.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -106.514639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.514639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.514639 (E_RNA)
where:
Base-Base interactions energy: -40.194
where: short stacking energy: -39.717
Base-Backbone interact. energy: -0.130
local terms energy: -66.190699
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -17.581
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -9.674
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: 10
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -80.852296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.852296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.852296 (E_RNA)
where:
Base-Base interactions energy: -40.675
where: short stacking energy: -32.861
Base-Backbone interact. energy: -0.241
local terms energy: -39.936551
where:
bonds (distance) C4'-P energy: -9.041
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -3.981
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -1.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -244.278293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.278293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.278293 (E_RNA)
where:
Base-Base interactions energy: -158.065
where: short stacking energy: -75.451
Base-Backbone interact. energy: -0.094
local terms energy: -86.119668
where:
bonds (distance) C4'-P energy: -18.977
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -18.366
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -20.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -211.387376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.387376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.387376 (E_RNA)
where:
Base-Base interactions energy: -132.478
where: short stacking energy: -67.203
Base-Backbone interact. energy: 0.260
local terms energy: -79.169783
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -15.511
tors. eta vs tors. theta energy: -16.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -216.172528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.172528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.172528 (E_RNA)
where:
Base-Base interactions energy: -145.811
where: short stacking energy: -56.520
Base-Backbone interact. energy: -1.143
local terms energy: -69.219260
where:
bonds (distance) C4'-P energy: -17.038
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -8.082
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: 7
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -203.526435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.526435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.526435 (E_RNA)
where:
Base-Base interactions energy: -131.279
where: short stacking energy: -72.762
Base-Backbone interact. energy: -0.633
local terms energy: -71.615212
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -11.156
flat angles C4'-P-C4' energy: -17.966
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -20.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -243.191174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.191174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.191174 (E_RNA)
where:
Base-Base interactions energy: -163.037
where: short stacking energy: -77.887
Base-Backbone interact. energy: -1.048
local terms energy: -79.106408
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -20.673
flat angles P-C4'-P energy: -7.135
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: 8
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -200.739829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.739829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.739829 (E_RNA)
where:
Base-Base interactions energy: -127.088
where: short stacking energy: -62.954
Base-Backbone interact. energy: -0.093
local terms energy: -73.558875
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -19.940
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -13.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -160.045566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.045566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.045566 (E_RNA)
where:
Base-Base interactions energy: -91.336
where: short stacking energy: -53.406
Base-Backbone interact. energy: -0.290
local terms energy: -68.419168
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -2.808
tors. eta vs tors. theta energy: -19.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -97.473635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.473635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.473635 (E_RNA)
where:
Base-Base interactions energy: -36.221
where: short stacking energy: -36.221
Base-Backbone interact. energy: 0.862
local terms energy: -62.114694
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -18.158
flat angles C4'-P-C4' energy: -17.930
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -1.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -96.251020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.251020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.251020 (E_RNA)
where:
Base-Base interactions energy: -38.171
where: short stacking energy: -38.171
Base-Backbone interact. energy: -0.050
local terms energy: -58.029874
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -18.006
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -4.427
tors. eta vs tors. theta energy: -10.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -79.703017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.703017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.703017 (E_RNA)
where:
Base-Base interactions energy: -31.091
where: short stacking energy: -30.850
Base-Backbone interact. energy: -0.179
local terms energy: -48.433229
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -17.768
flat angles C4'-P-C4' energy: -9.696
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: 0.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -239.027766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.027766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.027766 (E_RNA)
where:
Base-Base interactions energy: -155.174
where: short stacking energy: -75.154
Base-Backbone interact. energy: -0.133
local terms energy: -83.720876
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -19.285
flat angles C4'-P-C4' energy: -19.543
flat angles P-C4'-P energy: -7.617
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: 2, replica: 5
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -220.451554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.451554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.451554 (E_RNA)
where:
Base-Base interactions energy: -135.890
where: short stacking energy: -73.727
Base-Backbone interact. energy: -0.002
local terms energy: -84.559669
where:
bonds (distance) C4'-P energy: -19.200
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -18.044
flat angles P-C4'-P energy: -13.708
tors. eta vs tors. theta energy: -18.877
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: 262
Temperature: 1.000000
Total energy: -208.313505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.313505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.313505 (E_RNA)
where:
Base-Base interactions energy: -129.946
where: short stacking energy: -69.591
Base-Backbone interact. energy: -0.196
local terms energy: -78.171226
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -18.582
flat angles C4'-P-C4' energy: -17.888
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -16.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -209.562498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.562498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.562498 (E_RNA)
where:
Base-Base interactions energy: -132.375
where: short stacking energy: -51.797
Base-Backbone interact. energy: 0.104
local terms energy: -77.292012
where:
bonds (distance) C4'-P energy: -18.755
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -18.921
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -9.674
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: 8
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -205.761330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.761330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.761330 (E_RNA)
where:
Base-Base interactions energy: -136.545
where: short stacking energy: -63.872
Base-Backbone interact. energy: -0.120
local terms energy: -69.097078
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -16.295
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -6.784
tors. eta vs tors. theta energy: -12.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -201.814179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.814179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.814179 (E_RNA)
where:
Base-Base interactions energy: -132.784
where: short stacking energy: -54.949
Base-Backbone interact. energy: -0.192
local terms energy: -68.838459
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -18.665
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -12.824
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: 3
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -123.625700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.625700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.625700 (E_RNA)
where:
Base-Base interactions energy: -58.384
where: short stacking energy: -40.094
Base-Backbone interact. energy: -0.122
local terms energy: -65.118809
where:
bonds (distance) C4'-P energy: -16.708
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -1.658
tors. eta vs tors. theta energy: -13.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -124.465186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.465186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.465186 (E_RNA)
where:
Base-Base interactions energy: -71.774
where: short stacking energy: -36.314
Base-Backbone interact. energy: -0.267
local terms energy: -52.423348
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -8.955
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -0.807
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: 10
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -88.041471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.041471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.041471 (E_RNA)
where:
Base-Base interactions energy: -36.704
where: short stacking energy: -36.704
Base-Backbone interact. energy: -0.173
local terms energy: -51.164641
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -12.159
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -0.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -95.292094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.292094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.292094 (E_RNA)
where:
Base-Base interactions energy: -41.406
where: short stacking energy: -29.623
Base-Backbone interact. energy: -0.239
local terms energy: -53.647391
where:
bonds (distance) C4'-P energy: -17.171
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -9.152
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -2.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -238.921363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.921363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.921363 (E_RNA)
where:
Base-Base interactions energy: -146.629
where: short stacking energy: -77.034
Base-Backbone interact. energy: -0.103
local terms energy: -92.189310
where:
bonds (distance) C4'-P energy: -17.849
bonds (distance) P-C4' energy: -20.334
flat angles C4'-P-C4' energy: -19.240
flat angles P-C4'-P energy: -14.073
tors. eta vs tors. theta energy: -20.693
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: 7
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -218.626768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.626768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.626768 (E_RNA)
where:
Base-Base interactions energy: -139.197
where: short stacking energy: -70.002
Base-Backbone interact. energy: 0.059
local terms energy: -79.488907
where:
bonds (distance) C4'-P energy: -16.874
bonds (distance) P-C4' energy: -19.039
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -19.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -210.195997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.195997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.195997 (E_RNA)
where:
Base-Base interactions energy: -130.936
where: short stacking energy: -64.401
Base-Backbone interact. energy: -0.072
local terms energy: -79.188140
where:
bonds (distance) C4'-P energy: -19.966
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -16.946
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -14.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -202.919019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.919019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.919019 (E_RNA)
where:
Base-Base interactions energy: -120.502
where: short stacking energy: -69.975
Base-Backbone interact. energy: -0.051
local terms energy: -82.365731
where:
bonds (distance) C4'-P energy: -14.539
bonds (distance) P-C4' energy: -16.986
flat angles C4'-P-C4' energy: -17.380
flat angles P-C4'-P energy: -12.049
tors. eta vs tors. theta energy: -21.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -187.289471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.289471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.289471 (E_RNA)
where:
Base-Base interactions energy: -129.104
where: short stacking energy: -48.701
Base-Backbone interact. energy: 0.031
local terms energy: -58.216654
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -9.492
flat angles C4'-P-C4' energy: -11.360
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -10.727
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: 6
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -219.975122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.975122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.975122 (E_RNA)
where:
Base-Base interactions energy: -142.398
where: short stacking energy: -58.102
Base-Backbone interact. energy: -0.496
local terms energy: -77.080488
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -19.750
flat angles C4'-P-C4' energy: -16.575
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -13.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -109.562473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.562473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.562473 (E_RNA)
where:
Base-Base interactions energy: -44.234
where: short stacking energy: -38.177
Base-Backbone interact. energy: -0.179
local terms energy: -65.148742
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -13.760
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: 8, replica: 10
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -88.880627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.880627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.880627 (E_RNA)
where:
Base-Base interactions energy: -36.977
where: short stacking energy: -30.856
Base-Backbone interact. energy: -0.236
local terms energy: -51.667707
where:
bonds (distance) C4'-P energy: -18.443
bonds (distance) P-C4' energy: -5.935
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -3.914
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: 1
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -92.576504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.576504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.576504 (E_RNA)
where:
Base-Base interactions energy: -36.269
where: short stacking energy: -21.868
Base-Backbone interact. energy: -0.487
local terms energy: -55.820118
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -7.097
tors. eta vs tors. theta energy: -5.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -86.582012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.582012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.582012 (E_RNA)
where:
Base-Base interactions energy: -37.775
where: short stacking energy: -27.841
Base-Backbone interact. energy: 5.903
local terms energy: -54.710723
where:
bonds (distance) C4'-P energy: -10.165
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -7.289
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: 1, replica: 2
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -243.048664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.048664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.048664 (E_RNA)
where:
Base-Base interactions energy: -162.212
where: short stacking energy: -85.150
Base-Backbone interact. energy: -0.135
local terms energy: -80.702442
where:
bonds (distance) C4'-P energy: -12.537
bonds (distance) P-C4' energy: -17.753
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -10.780
tors. eta vs tors. theta energy: -22.690
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: 2, replica: 7
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -219.609014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.609014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.609014 (E_RNA)
where:
Base-Base interactions energy: -136.203
where: short stacking energy: -72.603
Base-Backbone interact. energy: -0.129
local terms energy: -83.277631
where:
bonds (distance) C4'-P energy: -16.422
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -22.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -219.013512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.013512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.013512 (E_RNA)
where:
Base-Base interactions energy: -139.555
where: short stacking energy: -72.410
Base-Backbone interact. energy: -0.182
local terms energy: -79.276326
where:
bonds (distance) C4'-P energy: -11.620
bonds (distance) P-C4' energy: -16.996
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -14.072
tors. eta vs tors. theta energy: -20.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -204.136970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.136970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.136970 (E_RNA)
where:
Base-Base interactions energy: -126.686
where: short stacking energy: -67.775
Base-Backbone interact. energy: -0.045
local terms energy: -77.406804
where:
bonds (distance) C4'-P energy: -16.798
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -20.271
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -17.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -222.060750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.060750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.060750 (E_RNA)
where:
Base-Base interactions energy: -148.499
where: short stacking energy: -64.013
Base-Backbone interact. energy: -0.544
local terms energy: -73.018038
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -8.728
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -15.753
tors. eta vs tors. theta energy: -15.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -177.985751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.985751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.985751 (E_RNA)
where:
Base-Base interactions energy: -113.172
where: short stacking energy: -44.994
Base-Backbone interact. energy: -0.344
local terms energy: -64.469398
where:
bonds (distance) C4'-P energy: -20.330
bonds (distance) P-C4' energy: -14.647
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -5.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -103.689822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.689822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.689822 (E_RNA)
where:
Base-Base interactions energy: -50.820
where: short stacking energy: -32.758
Base-Backbone interact. energy: -0.012
local terms energy: -52.857347
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -6.611
tors. eta vs tors. theta energy: -4.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -96.829817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.829817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.829817 (E_RNA)
where:
Base-Base interactions energy: -36.023
where: short stacking energy: -31.977
Base-Backbone interact. energy: -0.108
local terms energy: -60.698492
where:
bonds (distance) C4'-P energy: -17.075
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -5.670
tors. eta vs tors. theta energy: -4.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -103.698291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.698291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.698291 (E_RNA)
where:
Base-Base interactions energy: -45.077
where: short stacking energy: -34.053
Base-Backbone interact. energy: -0.324
local terms energy: -58.296737
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -12.490
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -8.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -89.395647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.395647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.395647 (E_RNA)
where:
Base-Base interactions energy: -28.257
where: short stacking energy: -28.257
Base-Backbone interact. energy: -0.219
local terms energy: -60.919786
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -5.777
tors. eta vs tors. theta energy: -6.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -237.861772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.861772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.861772 (E_RNA)
where:
Base-Base interactions energy: -148.628
where: short stacking energy: -74.289
Base-Backbone interact. energy: -0.097
local terms energy: -89.137015
where:
bonds (distance) C4'-P energy: -19.546
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -19.744
flat angles P-C4'-P energy: -9.560
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: 2, replica: 8
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -232.389915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.389915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.389915 (E_RNA)
where:
Base-Base interactions energy: -149.222
where: short stacking energy: -79.070
Base-Backbone interact. energy: -0.505
local terms energy: -82.662754
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -16.133
flat angles C4'-P-C4' energy: -19.279
flat angles P-C4'-P energy: -13.601
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: 3, replica: 7
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -198.938219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.938219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.938219 (E_RNA)
where:
Base-Base interactions energy: -126.752
where: short stacking energy: -62.167
Base-Backbone interact. energy: -0.014
local terms energy: -72.172482
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -11.514
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -21.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -221.729558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.729558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.729558 (E_RNA)
where:
Base-Base interactions energy: -143.794
where: short stacking energy: -60.023
Base-Backbone interact. energy: -0.421
local terms energy: -77.514625
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -20.796
flat angles C4'-P-C4' energy: -17.436
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -13.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -211.808464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.808464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.808464 (E_RNA)
where:
Base-Base interactions energy: -136.151
where: short stacking energy: -67.386
Base-Backbone interact. energy: -0.008
local terms energy: -75.649932
where:
bonds (distance) C4'-P energy: -17.913
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -17.514
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: -17.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -172.878712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.878712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.878712 (E_RNA)
where:
Base-Base interactions energy: -113.109
where: short stacking energy: -51.933
Base-Backbone interact. energy: -0.119
local terms energy: -59.650875
where:
bonds (distance) C4'-P energy: -16.879
bonds (distance) P-C4' energy: -9.359
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -8.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -128.188007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.188007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.188007 (E_RNA)
where:
Base-Base interactions energy: -78.886
where: short stacking energy: -43.907
Base-Backbone interact. energy: -0.362
local terms energy: -48.939908
where:
bonds (distance) C4'-P energy: -8.430
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -16.123
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -3.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -102.643083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.643083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.643083 (E_RNA)
where:
Base-Base interactions energy: -49.812
where: short stacking energy: -31.883
Base-Backbone interact. energy: -0.362
local terms energy: -52.469451
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -9.147
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: -0.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -86.620001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.620001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.620001 (E_RNA)
where:
Base-Base interactions energy: -28.621
where: short stacking energy: -29.921
Base-Backbone interact. energy: -0.191
local terms energy: -57.808277
where:
bonds (distance) C4'-P energy: -16.560
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -10.921
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -4.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -85.737986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.737986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.737986 (E_RNA)
where:
Base-Base interactions energy: -34.035
where: short stacking energy: -23.211
Base-Backbone interact. energy: -0.126
local terms energy: -51.577055
where:
bonds (distance) C4'-P energy: -19.638
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -11.663
flat angles P-C4'-P energy: -6.775
tors. eta vs tors. theta energy: 2.576
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: 8
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -228.942394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.942394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.942394 (E_RNA)
where:
Base-Base interactions energy: -135.833
where: short stacking energy: -68.597
Base-Backbone interact. energy: -0.121
local terms energy: -92.988221
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -19.009
flat angles C4'-P-C4' energy: -20.680
flat angles P-C4'-P energy: -14.046
tors. eta vs tors. theta energy: -25.056
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: 2
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -224.106597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.106597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.106597 (E_RNA)
where:
Base-Base interactions energy: -138.163
where: short stacking energy: -62.529
Base-Backbone interact. energy: -0.227
local terms energy: -85.717123
where:
bonds (distance) C4'-P energy: -19.745
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -14.892
tors. eta vs tors. theta energy: -18.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -243.738745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.738745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.738745 (E_RNA)
where:
Base-Base interactions energy: -163.249
where: short stacking energy: -71.765
Base-Backbone interact. energy: -1.167
local terms energy: -79.322527
where:
bonds (distance) C4'-P energy: -10.831
bonds (distance) P-C4' energy: -17.700
flat angles C4'-P-C4' energy: -19.480
flat angles P-C4'-P energy: -14.562
tors. eta vs tors. theta energy: -16.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -203.146433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.146433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.146433 (E_RNA)
where:
Base-Base interactions energy: -126.953
where: short stacking energy: -62.889
Base-Backbone interact. energy: 0.416
local terms energy: -76.609128
where:
bonds (distance) C4'-P energy: -11.237
bonds (distance) P-C4' energy: -18.395
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -11.592
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: 5, replica: 9
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -175.288903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.288903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.288903 (E_RNA)
where:
Base-Base interactions energy: -104.231
where: short stacking energy: -48.296
Base-Backbone interact. energy: -0.144
local terms energy: -70.914340
where:
bonds (distance) C4'-P energy: -16.786
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -19.148
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -7.743
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: 5
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -194.910075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.910075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.910075 (E_RNA)
where:
Base-Base interactions energy: -124.342
where: short stacking energy: -59.700
Base-Backbone interact. energy: -0.006
local terms energy: -70.562435
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -17.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -118.955821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.955821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.955821 (E_RNA)
where:
Base-Base interactions energy: -59.318
where: short stacking energy: -42.743
Base-Backbone interact. energy: -0.120
local terms energy: -59.517806
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -19.144
flat angles C4'-P-C4' energy: -12.097
flat angles P-C4'-P energy: -9.111
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: 3
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -130.064745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.064745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.064745 (E_RNA)
where:
Base-Base interactions energy: -65.704
where: short stacking energy: -35.364
Base-Backbone interact. energy: -0.115
local terms energy: -64.245309
where:
bonds (distance) C4'-P energy: -17.363
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -1.737
tors. eta vs tors. theta energy: -11.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -92.663831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.663831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.663831 (E_RNA)
where:
Base-Base interactions energy: -44.547
where: short stacking energy: -42.546
Base-Backbone interact. energy: -0.077
local terms energy: -48.039775
where:
bonds (distance) C4'-P energy: -9.996
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -17.628
flat angles P-C4'-P energy: -2.896
tors. eta vs tors. theta energy: -3.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -85.895263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.895263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.895263 (E_RNA)
where:
Base-Base interactions energy: -26.853
where: short stacking energy: -26.853
Base-Backbone interact. energy: -0.109
local terms energy: -58.933687
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -18.363
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: -2.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -225.523139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.523139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.523139 (E_RNA)
where:
Base-Base interactions energy: -140.037
where: short stacking energy: -82.933
Base-Backbone interact. energy: -0.007
local terms energy: -85.478462
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -17.849
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -25.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -242.941967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.941967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.941967 (E_RNA)
where:
Base-Base interactions energy: -163.591
where: short stacking energy: -68.989
Base-Backbone interact. energy: -1.224
local terms energy: -78.127012
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -18.834
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -17.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -236.217910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.217910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.217910 (E_RNA)
where:
Base-Base interactions energy: -152.572
where: short stacking energy: -71.094
Base-Backbone interact. energy: -0.100
local terms energy: -83.545780
where:
bonds (distance) C4'-P energy: -19.680
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -13.748
tors. eta vs tors. theta energy: -19.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -182.769161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.769161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.769161 (E_RNA)
where:
Base-Base interactions energy: -111.855
where: short stacking energy: -66.978
Base-Backbone interact. energy: -0.098
local terms energy: -70.815865
where:
bonds (distance) C4'-P energy: -15.652
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -8.051
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: 5, replica: 9
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -178.422252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.422252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.422252 (E_RNA)
where:
Base-Base interactions energy: -105.255
where: short stacking energy: -48.729
Base-Backbone interact. energy: -0.315
local terms energy: -72.851585
where:
bonds (distance) C4'-P energy: -18.029
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -19.201
flat angles P-C4'-P energy: -7.428
tors. eta vs tors. theta energy: -11.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -199.396455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.396455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.396455 (E_RNA)
where:
Base-Base interactions energy: -120.806
where: short stacking energy: -61.348
Base-Backbone interact. energy: -0.040
local terms energy: -78.550987
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -18.258
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: 4
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -127.672843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.672843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.672843 (E_RNA)
where:
Base-Base interactions energy: -67.427
where: short stacking energy: -48.123
Base-Backbone interact. energy: -0.413
local terms energy: -59.833295
where:
bonds (distance) C4'-P energy: -12.156
bonds (distance) P-C4' energy: -17.285
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -6.398
tors. eta vs tors. theta energy: -8.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -107.358699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.358699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.358699 (E_RNA)
where:
Base-Base interactions energy: -45.531
where: short stacking energy: -43.426
Base-Backbone interact. energy: -0.036
local terms energy: -61.791216
where:
bonds (distance) C4'-P energy: -10.361
bonds (distance) P-C4' energy: -19.503
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -10.284
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: 3
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -95.680648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.680648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.680648 (E_RNA)
where:
Base-Base interactions energy: -40.048
where: short stacking energy: -40.048
Base-Backbone interact. energy: -0.077
local terms energy: -55.556295
where:
bonds (distance) C4'-P energy: -18.980
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -0.449
tors. eta vs tors. theta energy: -8.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -86.739006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.739006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.739006 (E_RNA)
where:
Base-Base interactions energy: -34.579
where: short stacking energy: -25.899
Base-Backbone interact. energy: -0.308
local terms energy: -51.852063
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -6.908
tors. eta vs tors. theta energy: -4.518
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: 1, replica: 6
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -248.172433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.172433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.172433 (E_RNA)
where:
Base-Base interactions energy: -162.959
where: short stacking energy: -69.164
Base-Backbone interact. energy: -0.607
local terms energy: -84.606721
where:
bonds (distance) C4'-P energy: -16.648
bonds (distance) P-C4' energy: -21.121
flat angles C4'-P-C4' energy: -20.127
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -15.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -213.316293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.316293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.316293 (E_RNA)
where:
Base-Base interactions energy: -138.115
where: short stacking energy: -74.901
Base-Backbone interact. energy: -0.033
local terms energy: -75.167796
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -18.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -231.560779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.560779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.560779 (E_RNA)
where:
Base-Base interactions energy: -150.225
where: short stacking energy: -75.348
Base-Backbone interact. energy: -0.058
local terms energy: -81.278386
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -18.139
flat angles C4'-P-C4' energy: -19.180
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -21.695
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: 7
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -189.883868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.883868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.883868 (E_RNA)
where:
Base-Base interactions energy: -120.131
where: short stacking energy: -55.993
Base-Backbone interact. energy: -0.124
local terms energy: -69.628061
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -14.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -202.901939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.901939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.901939 (E_RNA)
where:
Base-Base interactions energy: -125.072
where: short stacking energy: -70.008
Base-Backbone interact. energy: -0.157
local terms energy: -77.672984
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -16.842
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -19.446
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: 9
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -176.888702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.888702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.888702 (E_RNA)
where:
Base-Base interactions energy: -109.057
where: short stacking energy: -61.994
Base-Backbone interact. energy: -0.077
local terms energy: -67.754107
where:
bonds (distance) C4'-P energy: -16.820
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -7.222
tors. eta vs tors. theta energy: -14.843
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: 7, replica: 1
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -108.638571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.638571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.638571 (E_RNA)
where:
Base-Base interactions energy: -46.518
where: short stacking energy: -36.518
Base-Backbone interact. energy: -0.297
local terms energy: -61.824193
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -19.108
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -2.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -133.453550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.453550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.453550 (E_RNA)
where:
Base-Base interactions energy: -63.806
where: short stacking energy: -44.593
Base-Backbone interact. energy: -0.110
local terms energy: -69.538492
where:
bonds (distance) C4'-P energy: -17.474
bonds (distance) P-C4' energy: -18.977
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -8.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -95.402576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.402576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.402576 (E_RNA)
where:
Base-Base interactions energy: -43.082
where: short stacking energy: -30.303
Base-Backbone interact. energy: -0.963
local terms energy: -51.357847
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -6.785
tors. eta vs tors. theta energy: -3.351
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: 10, replica: 3
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -93.873645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.873645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.873645 (E_RNA)
where:
Base-Base interactions energy: -50.358
where: short stacking energy: -26.558
Base-Backbone interact. energy: -0.283
local terms energy: -43.232517
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -1.385
tors. eta vs tors. theta energy: -0.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -256.612434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.612434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.612434 (E_RNA)
where:
Base-Base interactions energy: -181.913
where: short stacking energy: -75.120
Base-Backbone interact. energy: 0.440
local terms energy: -75.139011
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -12.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -228.121313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.121313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.121313 (E_RNA)
where:
Base-Base interactions energy: -140.913
where: short stacking energy: -70.842
Base-Backbone interact. energy: -0.169
local terms energy: -87.039365
where:
bonds (distance) C4'-P energy: -18.083
bonds (distance) P-C4' energy: -18.531
flat angles C4'-P-C4' energy: -18.297
flat angles P-C4'-P energy: -15.848
tors. eta vs tors. theta energy: -16.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -208.625849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.625849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.625849 (E_RNA)
where:
Base-Base interactions energy: -127.600
where: short stacking energy: -65.934
Base-Backbone interact. energy: -0.176
local terms energy: -80.849942
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -19.507
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -14.545
tors. eta vs tors. theta energy: -14.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -192.202636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.202636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.202636 (E_RNA)
where:
Base-Base interactions energy: -107.499
where: short stacking energy: -58.701
Base-Backbone interact. energy: 0.787
local terms energy: -85.490384
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -20.207
flat angles C4'-P-C4' energy: -18.112
flat angles P-C4'-P energy: -13.477
tors. eta vs tors. theta energy: -19.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -178.296988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.296988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.296988 (E_RNA)
where:
Base-Base interactions energy: -105.421
where: short stacking energy: -63.663
Base-Backbone interact. energy: -0.097
local terms energy: -72.779207
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: -14.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -166.417788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.417788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.417788 (E_RNA)
where:
Base-Base interactions energy: -104.867
where: short stacking energy: -41.096
Base-Backbone interact. energy: 0.151
local terms energy: -61.702023
where:
bonds (distance) C4'-P energy: -15.201
bonds (distance) P-C4' energy: -15.312
flat angles C4'-P-C4' energy: -9.311
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -10.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -114.134320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.134320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.134320 (E_RNA)
where:
Base-Base interactions energy: -50.396
where: short stacking energy: -48.192
Base-Backbone interact. energy: -0.108
local terms energy: -63.630275
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -11.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -94.986166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.986166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.986166 (E_RNA)
where:
Base-Base interactions energy: -40.061
where: short stacking energy: -28.401
Base-Backbone interact. energy: -0.280
local terms energy: -54.645336
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -9.541
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -3.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -90.667062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.667062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.667062 (E_RNA)
where:
Base-Base interactions energy: -34.816
where: short stacking energy: -29.360
Base-Backbone interact. energy: -0.378
local terms energy: -55.473816
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -13.136
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -6.631
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: 10, replica: 3
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -84.046246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.046246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.046246 (E_RNA)
where:
Base-Base interactions energy: -28.777
where: short stacking energy: -14.708
Base-Backbone interact. energy: 0.105
local terms energy: -55.374652
where:
bonds (distance) C4'-P energy: -17.629
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: 4.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -249.145541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.145541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.145541 (E_RNA)
where:
Base-Base interactions energy: -160.913
where: short stacking energy: -69.029
Base-Backbone interact. energy: -0.133
local terms energy: -88.098789
where:
bonds (distance) C4'-P energy: -18.205
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -19.034
flat angles P-C4'-P energy: -14.608
tors. eta vs tors. theta energy: -17.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -250.224302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.224302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.224302 (E_RNA)
where:
Base-Base interactions energy: -169.375
where: short stacking energy: -70.108
Base-Backbone interact. energy: -1.108
local terms energy: -79.741205
where:
bonds (distance) C4'-P energy: -18.901
bonds (distance) P-C4' energy: -18.033
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -15.477
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: 5
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -205.357195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.357195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.357195 (E_RNA)
where:
Base-Base interactions energy: -127.889
where: short stacking energy: -71.137
Base-Backbone interact. energy: -0.090
local terms energy: -77.378224
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -18.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -208.928764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.928764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.928764 (E_RNA)
where:
Base-Base interactions energy: -135.836
where: short stacking energy: -66.051
Base-Backbone interact. energy: -0.101
local terms energy: -72.991543
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -19.718
flat angles C4'-P-C4' energy: -12.665
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -16.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -164.003473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.003473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.003473 (E_RNA)
where:
Base-Base interactions energy: -105.804
where: short stacking energy: -49.035
Base-Backbone interact. energy: -0.228
local terms energy: -57.971664
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -6.486
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: 6, replica: 7
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -170.270823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.270823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.270823 (E_RNA)
where:
Base-Base interactions energy: -106.920
where: short stacking energy: -44.324
Base-Backbone interact. energy: -0.762
local terms energy: -62.588718
where:
bonds (distance) C4'-P energy: -12.069
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -10.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -102.190820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.190820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.190820 (E_RNA)
where:
Base-Base interactions energy: -41.970
where: short stacking energy: -35.545
Base-Backbone interact. energy: -0.054
local terms energy: -60.167500
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -8.778
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -7.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -105.987838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.987838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.987838 (E_RNA)
where:
Base-Base interactions energy: -44.672
where: short stacking energy: -41.548
Base-Backbone interact. energy: -0.080
local terms energy: -61.236449
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -11.684
tors. eta vs tors. theta energy: -9.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -95.130925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.130925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.130925 (E_RNA)
where:
Base-Base interactions energy: -35.393
where: short stacking energy: -34.887
Base-Backbone interact. energy: -0.759
local terms energy: -58.978631
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -16.680
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -4.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -90.246778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.246778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.246778 (E_RNA)
where:
Base-Base interactions energy: -29.663
where: short stacking energy: -25.668
Base-Backbone interact. energy: -0.431
local terms energy: -60.152397
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -20.456
flat angles C4'-P-C4' energy: -10.794
flat angles P-C4'-P energy: -7.607
tors. eta vs tors. theta energy: -7.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -232.844551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.844551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.844551 (E_RNA)
where:
Base-Base interactions energy: -152.905
where: short stacking energy: -74.103
Base-Backbone interact. energy: -0.094
local terms energy: -79.846106
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -17.752
flat angles P-C4'-P energy: -10.896
tors. eta vs tors. theta energy: -20.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -234.172912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.172912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.172912 (E_RNA)
where:
Base-Base interactions energy: -163.608
where: short stacking energy: -66.520
Base-Backbone interact. energy: -0.497
local terms energy: -70.067964
where:
bonds (distance) C4'-P energy: -9.375
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -18.855
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -15.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -189.119507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.119507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.119507 (E_RNA)
where:
Base-Base interactions energy: -115.418
where: short stacking energy: -61.588
Base-Backbone interact. energy: -0.030
local terms energy: -73.671651
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -13.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -206.201164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.201164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.201164 (E_RNA)
where:
Base-Base interactions energy: -126.791
where: short stacking energy: -65.284
Base-Backbone interact. energy: -0.113
local terms energy: -79.297080
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -16.726
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -12.132
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: 5, replica: 9
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -187.939887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.939887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.939887 (E_RNA)
where:
Base-Base interactions energy: -118.666
where: short stacking energy: -48.194
Base-Backbone interact. energy: -0.140
local terms energy: -69.134017
where:
bonds (distance) C4'-P energy: -16.471
bonds (distance) P-C4' energy: -17.979
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: -10.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -126.831815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.831815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.831815 (E_RNA)
where:
Base-Base interactions energy: -52.584
where: short stacking energy: -44.733
Base-Backbone interact. energy: -0.001
local terms energy: -74.247455
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -20.260
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -9.300
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: 7, replica: 7
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -179.517621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.517621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.517621 (E_RNA)
where:
Base-Base interactions energy: -106.992
where: short stacking energy: -54.145
Base-Backbone interact. energy: -0.323
local terms energy: -72.202550
where:
bonds (distance) C4'-P energy: -16.716
bonds (distance) P-C4' energy: -13.049
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -14.926
tors. eta vs tors. theta energy: -13.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -93.107764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.107764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.107764 (E_RNA)
where:
Base-Base interactions energy: -40.083
where: short stacking energy: -23.376
Base-Backbone interact. energy: -0.411
local terms energy: -52.614608
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -10.898
flat angles P-C4'-P energy: -5.211
tors. eta vs tors. theta energy: -4.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -100.436457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.436457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.436457 (E_RNA)
where:
Base-Base interactions energy: -37.260
where: short stacking energy: -33.481
Base-Backbone interact. energy: -1.098
local terms energy: -62.078762
where:
bonds (distance) C4'-P energy: -19.609
bonds (distance) P-C4' energy: -16.236
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -7.763
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: 10, replica: 4
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -88.603458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.603458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.603458 (E_RNA)
where:
Base-Base interactions energy: -30.994
where: short stacking energy: -20.646
Base-Backbone interact. energy: -0.592
local terms energy: -57.017665
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -18.929
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: 0.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -249.470238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.470238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.470238 (E_RNA)
where:
Base-Base interactions energy: -166.597
where: short stacking energy: -73.490
Base-Backbone interact. energy: -1.516
local terms energy: -81.357364
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -18.957
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -13.490
tors. eta vs tors. theta energy: -16.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -229.183650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.183650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.183650 (E_RNA)
where:
Base-Base interactions energy: -145.522
where: short stacking energy: -73.128
Base-Backbone interact. energy: -0.103
local terms energy: -83.559103
where:
bonds (distance) C4'-P energy: -19.646
bonds (distance) P-C4' energy: -16.803
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -19.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -220.284117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.284117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.284117 (E_RNA)
where:
Base-Base interactions energy: -138.163
where: short stacking energy: -68.909
Base-Backbone interact. energy: -0.102
local terms energy: -82.018955
where:
bonds (distance) C4'-P energy: -18.753
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -18.123
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -19.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -179.729519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.729519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.729519 (E_RNA)
where:
Base-Base interactions energy: -107.820
where: short stacking energy: -55.304
Base-Backbone interact. energy: -0.080
local terms energy: -71.829838
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: -16.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -166.137124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.137124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.137124 (E_RNA)
where:
Base-Base interactions energy: -107.137
where: short stacking energy: -53.616
Base-Backbone interact. energy: -0.708
local terms energy: -58.291691
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -5.453
tors. eta vs tors. theta energy: -8.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -100.050058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.050058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.050058 (E_RNA)
where:
Base-Base interactions energy: -42.186
where: short stacking energy: -42.186
Base-Backbone interact. energy: 1.548
local terms energy: -59.412178
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -4.669
tors. eta vs tors. theta energy: -10.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -180.219119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.219119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.219119 (E_RNA)
where:
Base-Base interactions energy: -98.863
where: short stacking energy: -53.341
Base-Backbone interact. energy: -0.076
local terms energy: -81.280621
where:
bonds (distance) C4'-P energy: -18.695
bonds (distance) P-C4' energy: -19.585
flat angles C4'-P-C4' energy: -18.595
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -14.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -152.349907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.349907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.349907 (E_RNA)
where:
Base-Base interactions energy: -92.904
where: short stacking energy: -44.106
Base-Backbone interact. energy: 0.668
local terms energy: -60.114108
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -21.035
flat angles C4'-P-C4' energy: -8.869
flat angles P-C4'-P energy: -7.476
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: 4
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -152.401343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.401343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.401343 (E_RNA)
where:
Base-Base interactions energy: -86.142
where: short stacking energy: -39.112
Base-Backbone interact. energy: 0.210
local terms energy: -66.469706
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -15.609
flat angles C4'-P-C4' energy: -18.774
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -7.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -105.971895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.971895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.971895 (E_RNA)
where:
Base-Base interactions energy: -50.691
where: short stacking energy: -31.044
Base-Backbone interact. energy: 0.226
local terms energy: -55.506656
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -8.965
flat angles P-C4'-P energy: -12.715
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: 273
Temperature: 0.900000
Total energy: -249.018705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.018705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.018705 (E_RNA)
where:
Base-Base interactions energy: -173.033
where: short stacking energy: -69.304
Base-Backbone interact. energy: 0.519
local terms energy: -76.504489
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -14.476
tors. eta vs tors. theta energy: -16.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -233.583083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.583083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.583083 (E_RNA)
where:
Base-Base interactions energy: -151.761
where: short stacking energy: -68.690
Base-Backbone interact. energy: -0.339
local terms energy: -81.482487
where:
bonds (distance) C4'-P energy: -18.349
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -18.734
flat angles P-C4'-P energy: -6.885
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: 8
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -222.759498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.759498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.759498 (E_RNA)
where:
Base-Base interactions energy: -141.226
where: short stacking energy: -61.732
Base-Backbone interact. energy: -0.385
local terms energy: -81.148925
where:
bonds (distance) C4'-P energy: -17.130
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -18.753
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -16.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -158.234899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.234899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.234899 (E_RNA)
where:
Base-Base interactions energy: -88.045
where: short stacking energy: -45.046
Base-Backbone interact. energy: -0.195
local terms energy: -69.995084
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -18.765
flat angles C4'-P-C4' energy: -18.107
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -9.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -183.594011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.594011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.594011 (E_RNA)
where:
Base-Base interactions energy: -104.220
where: short stacking energy: -59.844
Base-Backbone interact. energy: -0.044
local terms energy: -79.329907
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -18.112
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: -17.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -192.249298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.249298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.249298 (E_RNA)
where:
Base-Base interactions energy: -116.650
where: short stacking energy: -48.806
Base-Backbone interact. energy: -0.702
local terms energy: -74.898025
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -18.981
flat angles C4'-P-C4' energy: -18.665
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -16.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -115.595111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.595111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.595111 (E_RNA)
where:
Base-Base interactions energy: -51.703
where: short stacking energy: -49.218
Base-Backbone interact. energy: -0.013
local terms energy: -63.879056
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -5.884
tors. eta vs tors. theta energy: -10.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -167.701441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.701441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.701441 (E_RNA)
where:
Base-Base interactions energy: -100.691
where: short stacking energy: -49.113
Base-Backbone interact. energy: -0.530
local terms energy: -66.480474
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -19.514
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -10.620
tors. eta vs tors. theta energy: -8.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -165.606763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.606763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.606763 (E_RNA)
where:
Base-Base interactions energy: -100.756
where: short stacking energy: -46.998
Base-Backbone interact. energy: -0.205
local terms energy: -64.645873
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -11.260
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -11.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -82.064807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.064807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.064807 (E_RNA)
where:
Base-Base interactions energy: -30.956
where: short stacking energy: -30.956
Base-Backbone interact. energy: -0.416
local terms energy: -50.692068
where:
bonds (distance) C4'-P energy: -18.831
bonds (distance) P-C4' energy: -10.895
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -6.458
tors. eta vs tors. theta energy: -2.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -251.565653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.565653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.565653 (E_RNA)
where:
Base-Base interactions energy: -170.193
where: short stacking energy: -67.851
Base-Backbone interact. energy: -0.734
local terms energy: -80.638158
where:
bonds (distance) C4'-P energy: -18.561
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -19.733
flat angles P-C4'-P energy: -12.909
tors. eta vs tors. theta energy: -14.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -233.736425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.736425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.736425 (E_RNA)
where:
Base-Base interactions energy: -153.336
where: short stacking energy: -72.115
Base-Backbone interact. energy: -0.089
local terms energy: -80.311471
where:
bonds (distance) C4'-P energy: -16.758
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -20.649
flat angles P-C4'-P energy: -4.860
tors. eta vs tors. theta energy: -19.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -223.293569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.293569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.293569 (E_RNA)
where:
Base-Base interactions energy: -142.372
where: short stacking energy: -71.795
Base-Backbone interact. energy: -0.402
local terms energy: -80.519178
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -19.545
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -19.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -181.219644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.219644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.219644 (E_RNA)
where:
Base-Base interactions energy: -109.949
where: short stacking energy: -58.898
Base-Backbone interact. energy: -0.384
local terms energy: -70.886696
where:
bonds (distance) C4'-P energy: -17.168
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -13.311
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: 7
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -194.344735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.344735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.344735 (E_RNA)
where:
Base-Base interactions energy: -122.141
where: short stacking energy: -62.735
Base-Backbone interact. energy: -0.470
local terms energy: -71.734598
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -16.698
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -6.674
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: 6, replica: 5
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -163.024057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.024057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.024057 (E_RNA)
where:
Base-Base interactions energy: -105.662
where: short stacking energy: -44.501
Base-Backbone interact. energy: -0.752
local terms energy: -56.610689
where:
bonds (distance) C4'-P energy: -7.740
bonds (distance) P-C4' energy: -18.280
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -5.867
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: 4
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -163.129765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.129765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.129765 (E_RNA)
where:
Base-Base interactions energy: -96.526
where: short stacking energy: -36.193
Base-Backbone interact. energy: -0.358
local terms energy: -66.245828
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -17.288
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -6.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -83.066244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.066244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.066244 (E_RNA)
where:
Base-Base interactions energy: -38.358
where: short stacking energy: -30.315
Base-Backbone interact. energy: 3.129
local terms energy: -47.836989
where:
bonds (distance) C4'-P energy: -10.289
bonds (distance) P-C4' energy: -15.077
flat angles C4'-P-C4' energy: -12.467
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -1.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -97.007650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.007650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.007650 (E_RNA)
where:
Base-Base interactions energy: -33.854
where: short stacking energy: -33.854
Base-Backbone interact. energy: -0.089
local terms energy: -63.064334
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -14.404
flat angles C4'-P-C4' energy: -16.863
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -7.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -143.240796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.240796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.240796 (E_RNA)
where:
Base-Base interactions energy: -81.294
where: short stacking energy: -39.525
Base-Backbone interact. energy: -0.149
local terms energy: -61.797885
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -19.285
flat angles C4'-P-C4' energy: -10.933
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -8.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -236.380338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.380338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.380338 (E_RNA)
where:
Base-Base interactions energy: -162.640
where: short stacking energy: -69.315
Base-Backbone interact. energy: -0.505
local terms energy: -73.235721
where:
bonds (distance) C4'-P energy: -10.341
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -17.969
flat angles P-C4'-P energy: -14.481
tors. eta vs tors. theta energy: -13.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -236.961580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.961580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.961580 (E_RNA)
where:
Base-Base interactions energy: -155.677
where: short stacking energy: -76.888
Base-Backbone interact. energy: -0.144
local terms energy: -81.141174
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -20.094
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -21.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -218.553574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.553574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.553574 (E_RNA)
where:
Base-Base interactions energy: -133.997
where: short stacking energy: -70.699
Base-Backbone interact. energy: -0.700
local terms energy: -83.856172
where:
bonds (distance) C4'-P energy: -18.466
bonds (distance) P-C4' energy: -18.583
flat angles C4'-P-C4' energy: -20.041
flat angles P-C4'-P energy: -10.842
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: 4, replica: 7
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -203.434909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.434909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.434909 (E_RNA)
where:
Base-Base interactions energy: -130.656
where: short stacking energy: -69.569
Base-Backbone interact. energy: -0.137
local terms energy: -72.642360
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -13.279
tors. eta vs tors. theta energy: -15.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -183.548757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.548757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.548757 (E_RNA)
where:
Base-Base interactions energy: -118.001
where: short stacking energy: -47.463
Base-Backbone interact. energy: -0.263
local terms energy: -65.284616
where:
bonds (distance) C4'-P energy: -17.476
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -7.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -176.200457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.200457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.200457 (E_RNA)
where:
Base-Base interactions energy: -106.880
where: short stacking energy: -58.919
Base-Backbone interact. energy: 1.116
local terms energy: -70.436696
where:
bonds (distance) C4'-P energy: -9.506
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -15.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -168.198723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.198723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.198723 (E_RNA)
where:
Base-Base interactions energy: -103.851
where: short stacking energy: -48.180
Base-Backbone interact. energy: -0.143
local terms energy: -64.204671
where:
bonds (distance) C4'-P energy: -14.373
bonds (distance) P-C4' energy: -17.641
flat angles C4'-P-C4' energy: -14.572
flat angles P-C4'-P energy: -6.853
tors. eta vs tors. theta energy: -10.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -89.394290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.394290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.394290 (E_RNA)
where:
Base-Base interactions energy: -33.821
where: short stacking energy: -33.821
Base-Backbone interact. energy: -0.115
local terms energy: -55.459040
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -14.196
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -6.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -87.003934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.003934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.003934 (E_RNA)
where:
Base-Base interactions energy: -30.735
where: short stacking energy: -26.871
Base-Backbone interact. energy: -0.084
local terms energy: -56.185152
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: -2.867
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: 10, replica: 3
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -147.020614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.020614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.020614 (E_RNA)
where:
Base-Base interactions energy: -86.709
where: short stacking energy: -41.532
Base-Backbone interact. energy: -0.171
local terms energy: -60.139938
where:
bonds (distance) C4'-P energy: -10.407
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -6.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -244.176948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.176948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.176948 (E_RNA)
where:
Base-Base interactions energy: -155.912
where: short stacking energy: -80.626
Base-Backbone interact. energy: -0.068
local terms energy: -88.197616
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -19.831
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -13.600
tors. eta vs tors. theta energy: -21.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -232.619814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.619814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.619814 (E_RNA)
where:
Base-Base interactions energy: -164.068
where: short stacking energy: -69.278
Base-Backbone interact. energy: -0.152
local terms energy: -68.399945
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -12.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -200.198824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.198824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.198824 (E_RNA)
where:
Base-Base interactions energy: -125.060
where: short stacking energy: -60.736
Base-Backbone interact. energy: -0.032
local terms energy: -75.106520
where:
bonds (distance) C4'-P energy: -18.172
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -18.482
flat angles P-C4'-P energy: -2.214
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: 4, replica: 8
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -214.896653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.896653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.896653 (E_RNA)
where:
Base-Base interactions energy: -138.850
where: short stacking energy: -77.854
Base-Backbone interact. energy: -0.030
local terms energy: -76.016981
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -18.273
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -6.837
tors. eta vs tors. theta energy: -24.253
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: 4
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -188.842940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.842940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.842940 (E_RNA)
where:
Base-Base interactions energy: -114.966
where: short stacking energy: -59.245
Base-Backbone interact. energy: -0.176
local terms energy: -73.701141
where:
bonds (distance) C4'-P energy: -16.764
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -14.030
tors. eta vs tors. theta energy: -12.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -166.897187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.897187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.897187 (E_RNA)
where:
Base-Base interactions energy: -93.909
where: short stacking energy: -44.487
Base-Backbone interact. energy: -0.142
local terms energy: -72.846363
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -19.933
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -12.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -167.604981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.604981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.604981 (E_RNA)
where:
Base-Base interactions energy: -100.406
where: short stacking energy: -44.744
Base-Backbone interact. energy: -0.024
local terms energy: -67.175159
where:
bonds (distance) C4'-P energy: -17.654
bonds (distance) P-C4' energy: -18.329
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -11.404
tors. eta vs tors. theta energy: -5.177
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: 10
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -97.047373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.047373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.047373 (E_RNA)
where:
Base-Base interactions energy: -39.683
where: short stacking energy: -25.865
Base-Backbone interact. energy: 1.381
local terms energy: -58.744848
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -4.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -149.277253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.277253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.277253 (E_RNA)
where:
Base-Base interactions energy: -94.221
where: short stacking energy: -51.287
Base-Backbone interact. energy: -0.110
local terms energy: -54.946214
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -11.346
flat angles C4'-P-C4' energy: -10.385
flat angles P-C4'-P energy: -6.700
tors. eta vs tors. theta energy: -12.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -79.461058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.461058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.461058 (E_RNA)
where:
Base-Base interactions energy: -28.405
where: short stacking energy: -28.293
Base-Backbone interact. energy: 0.490
local terms energy: -51.546060
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -13.149
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -7.227
tors. eta vs tors. theta energy: -5.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -237.016367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.016367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.016367 (E_RNA)
where:
Base-Base interactions energy: -159.418
where: short stacking energy: -80.531
Base-Backbone interact. energy: -0.103
local terms energy: -77.495584
where:
bonds (distance) C4'-P energy: -12.672
bonds (distance) P-C4' energy: -19.914
flat angles C4'-P-C4' energy: -16.630
flat angles P-C4'-P energy: -8.398
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: 2, replica: 6
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -227.488456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.488456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.488456 (E_RNA)
where:
Base-Base interactions energy: -153.398
where: short stacking energy: -61.082
Base-Backbone interact. energy: -0.043
local terms energy: -74.047845
where:
bonds (distance) C4'-P energy: -17.008
bonds (distance) P-C4' energy: -13.590
flat angles C4'-P-C4' energy: -19.386
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -10.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -203.151520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.151520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.151520 (E_RNA)
where:
Base-Base interactions energy: -126.653
where: short stacking energy: -63.319
Base-Backbone interact. energy: -0.116
local terms energy: -76.382812
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -16.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -216.469241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.469241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.469241 (E_RNA)
where:
Base-Base interactions energy: -139.915
where: short stacking energy: -66.331
Base-Backbone interact. energy: -0.109
local terms energy: -76.444899
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -18.832
flat angles C4'-P-C4' energy: -18.704
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -14.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -199.731226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.731226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.731226 (E_RNA)
where:
Base-Base interactions energy: -115.437
where: short stacking energy: -68.003
Base-Backbone interact. energy: -0.110
local terms energy: -84.184263
where:
bonds (distance) C4'-P energy: -15.937
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -18.981
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -21.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -167.786401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.786401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.786401 (E_RNA)
where:
Base-Base interactions energy: -108.902
where: short stacking energy: -53.747
Base-Backbone interact. energy: -0.167
local terms energy: -58.717875
where:
bonds (distance) C4'-P energy: -10.659
bonds (distance) P-C4' energy: -14.888
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -5.379
tors. eta vs tors. theta energy: -13.169
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: 9
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -139.135043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.135043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.135043 (E_RNA)
where:
Base-Base interactions energy: -76.611
where: short stacking energy: -40.231
Base-Backbone interact. energy: 0.320
local terms energy: -62.844099
where:
bonds (distance) C4'-P energy: -17.867
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -8.235
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: 8, replica: 3
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -148.241330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.241330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.241330 (E_RNA)
where:
Base-Base interactions energy: -93.631
where: short stacking energy: -45.964
Base-Backbone interact. energy: -0.068
local terms energy: -54.541999
where:
bonds (distance) C4'-P energy: -10.141
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -6.467
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: 10
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -98.475695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.475695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.475695 (E_RNA)
where:
Base-Base interactions energy: -40.390
where: short stacking energy: -26.049
Base-Backbone interact. energy: -0.766
local terms energy: -57.319282
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -2.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -91.395076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.395076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.395076 (E_RNA)
where:
Base-Base interactions energy: -35.141
where: short stacking energy: -27.934
Base-Backbone interact. energy: -0.278
local terms energy: -55.976960
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -14.334
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -6.260
tors. eta vs tors. theta energy: -7.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -239.070981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.070981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.070981 (E_RNA)
where:
Base-Base interactions energy: -155.807
where: short stacking energy: -78.186
Base-Backbone interact. energy: -0.082
local terms energy: -83.181625
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -19.413
flat angles P-C4'-P energy: -8.493
tors. eta vs tors. theta energy: -20.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -245.074348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.074348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.074348 (E_RNA)
where:
Base-Base interactions energy: -162.250
where: short stacking energy: -73.629
Base-Backbone interact. energy: -0.378
local terms energy: -82.447271
where:
bonds (distance) C4'-P energy: -17.374
bonds (distance) P-C4' energy: -16.277
flat angles C4'-P-C4' energy: -18.588
flat angles P-C4'-P energy: -15.108
tors. eta vs tors. theta energy: -15.101
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: 8
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -221.506245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.506245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.506245 (E_RNA)
where:
Base-Base interactions energy: -137.577
where: short stacking energy: -70.809
Base-Backbone interact. energy: -0.019
local terms energy: -83.910442
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -18.623
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -15.307
tors. eta vs tors. theta energy: -19.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -200.213281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.213281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.213281 (E_RNA)
where:
Base-Base interactions energy: -127.919
where: short stacking energy: -64.437
Base-Backbone interact. energy: -0.281
local terms energy: -72.013377
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -18.236
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -16.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -196.124671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.124671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.124671 (E_RNA)
where:
Base-Base interactions energy: -112.342
where: short stacking energy: -53.816
Base-Backbone interact. energy: -0.103
local terms energy: -83.679839
where:
bonds (distance) C4'-P energy: -19.618
bonds (distance) P-C4' energy: -18.528
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -17.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -186.173308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.173308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.173308 (E_RNA)
where:
Base-Base interactions energy: -119.899
where: short stacking energy: -48.918
Base-Backbone interact. energy: -0.448
local terms energy: -65.826662
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -13.382
flat angles C4'-P-C4' energy: -17.898
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: -10.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -166.075009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.075009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.075009 (E_RNA)
where:
Base-Base interactions energy: -99.162
where: short stacking energy: -49.621
Base-Backbone interact. energy: -0.019
local terms energy: -66.894022
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: -11.410
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: 8, replica: 9
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -143.738298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.738298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.738298 (E_RNA)
where:
Base-Base interactions energy: -90.389
where: short stacking energy: -41.407
Base-Backbone interact. energy: -0.109
local terms energy: -53.240434
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -11.532
flat angles P-C4'-P energy: -10.084
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: 9, replica: 1
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -106.815996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.815996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.815996 (E_RNA)
where:
Base-Base interactions energy: -49.872
where: short stacking energy: -43.337
Base-Backbone interact. energy: 1.267
local terms energy: -58.211055
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -10.085
flat angles P-C4'-P energy: -7.778
tors. eta vs tors. theta energy: -9.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -110.652098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.652098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.652098 (E_RNA)
where:
Base-Base interactions energy: -62.372
where: short stacking energy: -21.662
Base-Backbone interact. energy: 1.656
local terms energy: -49.935379
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -16.735
flat angles C4'-P-C4' energy: -8.131
flat angles P-C4'-P energy: -10.509
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: 1, replica: 2
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -233.143778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.143778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.143778 (E_RNA)
where:
Base-Base interactions energy: -147.641
where: short stacking energy: -73.222
Base-Backbone interact. energy: -0.036
local terms energy: -85.466759
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -18.623
flat angles C4'-P-C4' energy: -19.510
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -20.551
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: 8
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -209.563986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.563986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.563986 (E_RNA)
where:
Base-Base interactions energy: -143.170
where: short stacking energy: -64.549
Base-Backbone interact. energy: 1.462
local terms energy: -67.855667
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -13.798
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -14.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -229.059231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.059231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.059231 (E_RNA)
where:
Base-Base interactions energy: -156.354
where: short stacking energy: -62.985
Base-Backbone interact. energy: -0.550
local terms energy: -72.155795
where:
bonds (distance) C4'-P energy: -13.868
bonds (distance) P-C4' energy: -20.917
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -5.843
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: 4, replica: 4
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -196.280714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.280714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.280714 (E_RNA)
where:
Base-Base interactions energy: -128.004
where: short stacking energy: -58.785
Base-Backbone interact. energy: -0.156
local terms energy: -68.120503
where:
bonds (distance) C4'-P energy: -17.828
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -12.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -188.054524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.054524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.054524 (E_RNA)
where:
Base-Base interactions energy: -111.658
where: short stacking energy: -54.486
Base-Backbone interact. energy: -0.131
local terms energy: -76.265550
where:
bonds (distance) C4'-P energy: -16.931
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -16.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -169.465879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.465879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.465879 (E_RNA)
where:
Base-Base interactions energy: -102.590
where: short stacking energy: -55.250
Base-Backbone interact. energy: -0.218
local terms energy: -66.657897
where:
bonds (distance) C4'-P energy: -19.745
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -9.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -150.359917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.359917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.359917 (E_RNA)
where:
Base-Base interactions energy: -82.230
where: short stacking energy: -54.908
Base-Backbone interact. energy: 1.299
local terms energy: -69.428301
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -17.566
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: -9.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -156.211780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.211780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.211780 (E_RNA)
where:
Base-Base interactions energy: -95.364
where: short stacking energy: -43.576
Base-Backbone interact. energy: -0.096
local terms energy: -60.751602
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -11.057
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -6.337
tors. eta vs tors. theta energy: -12.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -92.360507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.360507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.360507 (E_RNA)
where:
Base-Base interactions energy: -37.876
where: short stacking energy: -31.716
Base-Backbone interact. energy: -0.009
local terms energy: -54.475814
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -17.457
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -5.716
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: 10
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -91.606929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.606929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.606929 (E_RNA)
where:
Base-Base interactions energy: -41.891
where: short stacking energy: -31.999
Base-Backbone interact. energy: -0.077
local terms energy: -49.638631
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -13.721
flat angles C4'-P-C4' energy: -7.542
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -5.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -233.333187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.333187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.333187 (E_RNA)
where:
Base-Base interactions energy: -156.285
where: short stacking energy: -78.936
Base-Backbone interact. energy: -0.092
local terms energy: -76.956398
where:
bonds (distance) C4'-P energy: -13.330
bonds (distance) P-C4' energy: -18.301
flat angles C4'-P-C4' energy: -17.409
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -17.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -217.177688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.177688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.177688 (E_RNA)
where:
Base-Base interactions energy: -143.303
where: short stacking energy: -66.187
Base-Backbone interact. energy: -0.255
local terms energy: -73.619248
where:
bonds (distance) C4'-P energy: -17.690
bonds (distance) P-C4' energy: -14.531
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -16.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -232.695855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.695855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.695855 (E_RNA)
where:
Base-Base interactions energy: -166.075
where: short stacking energy: -62.066
Base-Backbone interact. energy: -0.516
local terms energy: -66.104580
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -9.940
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: 4
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -210.376949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.376949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.376949 (E_RNA)
where:
Base-Base interactions energy: -128.415
where: short stacking energy: -68.608
Base-Backbone interact. energy: -0.096
local terms energy: -81.865666
where:
bonds (distance) C4'-P energy: -18.901
bonds (distance) P-C4' energy: -14.068
flat angles C4'-P-C4' energy: -20.746
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: -17.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -164.143858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.143858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.143858 (E_RNA)
where:
Base-Base interactions energy: -102.425
where: short stacking energy: -63.380
Base-Backbone interact. energy: -0.098
local terms energy: -61.621089
where:
bonds (distance) C4'-P energy: -18.538
bonds (distance) P-C4' energy: -8.558
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -6.040
tors. eta vs tors. theta energy: -15.071
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: 6, replica: 7
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -177.993909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.993909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.993909 (E_RNA)
where:
Base-Base interactions energy: -107.046
where: short stacking energy: -55.378
Base-Backbone interact. energy: 1.941
local terms energy: -72.888251
where:
bonds (distance) C4'-P energy: -16.608
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -12.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -191.068011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.068011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.068011 (E_RNA)
where:
Base-Base interactions energy: -119.227
where: short stacking energy: -68.277
Base-Backbone interact. energy: -0.142
local terms energy: -71.698441
where:
bonds (distance) C4'-P energy: -16.130
bonds (distance) P-C4' energy: -11.996
flat angles C4'-P-C4' energy: -18.692
flat angles P-C4'-P energy: -11.326
tors. eta vs tors. theta energy: -13.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -141.208674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.208674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.208674 (E_RNA)
where:
Base-Base interactions energy: -80.369
where: short stacking energy: -35.822
Base-Backbone interact. energy: 4.396
local terms energy: -65.235640
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -17.953
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -11.148
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: 9, replica: 1
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -87.681495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.681495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.681495 (E_RNA)
where:
Base-Base interactions energy: -38.199
where: short stacking energy: -38.199
Base-Backbone interact. energy: 1.897
local terms energy: -51.380077
where:
bonds (distance) C4'-P energy: -11.534
bonds (distance) P-C4' energy: -11.642
flat angles C4'-P-C4' energy: -12.853
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -5.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -83.776810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.776810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.776810 (E_RNA)
where:
Base-Base interactions energy: -32.979
where: short stacking energy: -32.979
Base-Backbone interact. energy: -0.213
local terms energy: -50.584887
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -0.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -239.754733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.754733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.754733 (E_RNA)
where:
Base-Base interactions energy: -157.843
where: short stacking energy: -73.249
Base-Backbone interact. energy: -0.100
local terms energy: -81.812034
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -19.160
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -21.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -238.218838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.218838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.218838 (E_RNA)
where:
Base-Base interactions energy: -160.907
where: short stacking energy: -59.053
Base-Backbone interact. energy: -1.023
local terms energy: -76.288284
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -17.700
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -16.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -217.255071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.255071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.255071 (E_RNA)
where:
Base-Base interactions energy: -141.062
where: short stacking energy: -66.279
Base-Backbone interact. energy: -0.264
local terms energy: -75.928777
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -18.524
flat angles P-C4'-P energy: -3.358
tors. eta vs tors. theta energy: -20.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -195.941656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.941656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.941656 (E_RNA)
where:
Base-Base interactions energy: -110.730
where: short stacking energy: -66.044
Base-Backbone interact. energy: -0.092
local terms energy: -85.118838
where:
bonds (distance) C4'-P energy: -17.295
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -18.165
flat angles P-C4'-P energy: -14.372
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: 5, replica: 5
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -184.063914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.063914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.063914 (E_RNA)
where:
Base-Base interactions energy: -102.034
where: short stacking energy: -68.757
Base-Backbone interact. energy: 0.093
local terms energy: -82.122767
where:
bonds (distance) C4'-P energy: -18.573
bonds (distance) P-C4' energy: -19.406
flat angles C4'-P-C4' energy: -18.338
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -15.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -189.887385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.887385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.887385 (E_RNA)
where:
Base-Base interactions energy: -119.213
where: short stacking energy: -58.854
Base-Backbone interact. energy: -0.098
local terms energy: -70.576797
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -10.588
flat angles C4'-P-C4' energy: -16.937
flat angles P-C4'-P energy: -13.612
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: 7, replica: 7
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -171.706259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.706259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.706259 (E_RNA)
where:
Base-Base interactions energy: -109.787
where: short stacking energy: -52.383
Base-Backbone interact. energy: 1.718
local terms energy: -63.637332
where:
bonds (distance) C4'-P energy: -15.584
bonds (distance) P-C4' energy: -14.683
flat angles C4'-P-C4' energy: -8.662
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -12.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -104.387682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.387682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.387682 (E_RNA)
where:
Base-Base interactions energy: -47.532
where: short stacking energy: -29.444
Base-Backbone interact. energy: -0.163
local terms energy: -56.692583
where:
bonds (distance) C4'-P energy: -17.846
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -1.629
tors. eta vs tors. theta energy: -5.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -140.875007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.875007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.875007 (E_RNA)
where:
Base-Base interactions energy: -83.230
where: short stacking energy: -42.312
Base-Backbone interact. energy: -0.105
local terms energy: -57.540828
where:
bonds (distance) C4'-P energy: -16.696
bonds (distance) P-C4' energy: -19.715
flat angles C4'-P-C4' energy: -10.282
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: -2.072
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: 10
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -81.473374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.473374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.473374 (E_RNA)
where:
Base-Base interactions energy: -31.703
where: short stacking energy: -18.581
Base-Backbone interact. energy: -0.067
local terms energy: -49.703788
where:
bonds (distance) C4'-P energy: -15.892
bonds (distance) P-C4' energy: -10.368
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: 0.848
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: 1, replica: 6
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -239.325002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.325002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.325002 (E_RNA)
where:
Base-Base interactions energy: -161.197
where: short stacking energy: -66.649
Base-Backbone interact. energy: -0.568
local terms energy: -77.559763
where:
bonds (distance) C4'-P energy: -17.207
bonds (distance) P-C4' energy: -19.249
flat angles C4'-P-C4' energy: -18.571
flat angles P-C4'-P energy: -11.802
tors. eta vs tors. theta energy: -10.731
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: 2
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -229.223200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.223200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.223200 (E_RNA)
where:
Base-Base interactions energy: -147.231
where: short stacking energy: -74.044
Base-Backbone interact. energy: -0.097
local terms energy: -81.895105
where:
bonds (distance) C4'-P energy: -16.724
bonds (distance) P-C4' energy: -19.013
flat angles C4'-P-C4' energy: -17.603
flat angles P-C4'-P energy: -6.552
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: 3, replica: 8
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -218.223666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.223666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.223666 (E_RNA)
where:
Base-Base interactions energy: -135.873
where: short stacking energy: -65.057
Base-Backbone interact. energy: -0.349
local terms energy: -82.001423
where:
bonds (distance) C4'-P energy: -20.122
bonds (distance) P-C4' energy: -18.090
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -17.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -228.682297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.682297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.682297 (E_RNA)
where:
Base-Base interactions energy: -149.299
where: short stacking energy: -76.077
Base-Backbone interact. energy: -0.111
local terms energy: -79.272430
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -18.876
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -18.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -176.312902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.312902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.312902 (E_RNA)
where:
Base-Base interactions energy: -113.035
where: short stacking energy: -56.672
Base-Backbone interact. energy: 0.961
local terms energy: -64.238829
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -10.746
tors. eta vs tors. theta energy: -7.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -180.137264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.137264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.137264 (E_RNA)
where:
Base-Base interactions energy: -114.401
where: short stacking energy: -55.003
Base-Backbone interact. energy: -0.184
local terms energy: -65.552778
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -10.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -181.187864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.187864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.187864 (E_RNA)
where:
Base-Base interactions energy: -112.715
where: short stacking energy: -45.283
Base-Backbone interact. energy: -0.255
local terms energy: -68.217218
where:
bonds (distance) C4'-P energy: -11.508
bonds (distance) P-C4' energy: -16.236
flat angles C4'-P-C4' energy: -19.072
flat angles P-C4'-P energy: -13.527
tors. eta vs tors. theta energy: -7.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -103.518512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.518512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.518512 (E_RNA)
where:
Base-Base interactions energy: -50.834
where: short stacking energy: -36.644
Base-Backbone interact. energy: -0.293
local terms energy: -52.391556
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -7.444
tors. eta vs tors. theta energy: -4.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -140.778874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.778874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.778874 (E_RNA)
where:
Base-Base interactions energy: -78.176
where: short stacking energy: -36.792
Base-Backbone interact. energy: -0.016
local terms energy: -62.587190
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -19.989
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -5.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -82.867365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.867365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.867365 (E_RNA)
where:
Base-Base interactions energy: -30.386
where: short stacking energy: -29.570
Base-Backbone interact. energy: -1.018
local terms energy: -51.463124
where:
bonds (distance) C4'-P energy: -9.309
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -10.290
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -2.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -238.313167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.313167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.313167 (E_RNA)
where:
Base-Base interactions energy: -162.099
where: short stacking energy: -61.777
Base-Backbone interact. energy: -0.101
local terms energy: -76.113644
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -18.822
flat angles C4'-P-C4' energy: -19.740
flat angles P-C4'-P energy: -13.280
tors. eta vs tors. theta energy: -8.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -216.566149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.566149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.566149 (E_RNA)
where:
Base-Base interactions energy: -132.449
where: short stacking energy: -76.696
Base-Backbone interact. energy: -0.003
local terms energy: -84.114020
where:
bonds (distance) C4'-P energy: -16.581
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -17.814
flat angles P-C4'-P energy: -15.077
tors. eta vs tors. theta energy: -20.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -214.248010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.248010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.248010 (E_RNA)
where:
Base-Base interactions energy: -136.991
where: short stacking energy: -60.231
Base-Backbone interact. energy: -0.177
local terms energy: -77.080018
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -12.950
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -12.693
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: 4, replica: 4
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -196.040128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.040128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.040128 (E_RNA)
where:
Base-Base interactions energy: -117.747
where: short stacking energy: -61.167
Base-Backbone interact. energy: -0.086
local terms energy: -78.207476
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -19.700
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -16.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -197.002995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.002995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.002995 (E_RNA)
where:
Base-Base interactions energy: -121.519
where: short stacking energy: -60.393
Base-Backbone interact. energy: -0.046
local terms energy: -75.437856
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -17.152
flat angles C4'-P-C4' energy: -17.463
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -15.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -176.266860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.266860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.266860 (E_RNA)
where:
Base-Base interactions energy: -108.352
where: short stacking energy: -49.890
Base-Backbone interact. energy: -0.115
local terms energy: -67.799621
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -17.133
flat angles P-C4'-P energy: -8.394
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: 7, replica: 7
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -175.528280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.528280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.528280 (E_RNA)
where:
Base-Base interactions energy: -106.422
where: short stacking energy: -50.292
Base-Backbone interact. energy: -0.011
local terms energy: -69.094942
where:
bonds (distance) C4'-P energy: -15.376
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -14.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -149.980211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.980211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.980211 (E_RNA)
where:
Base-Base interactions energy: -90.986
where: short stacking energy: -41.348
Base-Backbone interact. energy: -0.166
local terms energy: -58.828471
where:
bonds (distance) C4'-P energy: -10.792
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -5.854
tors. eta vs tors. theta energy: -10.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -94.845117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.845117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.845117 (E_RNA)
where:
Base-Base interactions energy: -42.598
where: short stacking energy: -30.525
Base-Backbone interact. energy: -0.322
local terms energy: -51.924902
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: 0.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -105.790731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.790731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.790731 (E_RNA)
where:
Base-Base interactions energy: -31.171
where: short stacking energy: -31.044
Base-Backbone interact. energy: 0.230
local terms energy: -74.849780
where:
bonds (distance) C4'-P energy: -17.717
bonds (distance) P-C4' energy: -18.703
flat angles C4'-P-C4' energy: -18.203
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -9.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -245.512841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.512841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.512841 (E_RNA)
where:
Base-Base interactions energy: -167.359
where: short stacking energy: -70.324
Base-Backbone interact. energy: -0.409
local terms energy: -77.744860
where:
bonds (distance) C4'-P energy: -18.242
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -18.114
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -15.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -216.857211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.857211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.857211 (E_RNA)
where:
Base-Base interactions energy: -135.944
where: short stacking energy: -72.611
Base-Backbone interact. energy: -0.113
local terms energy: -80.800402
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -17.465
flat angles C4'-P-C4' energy: -16.603
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -20.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -237.024113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.024113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.024113 (E_RNA)
where:
Base-Base interactions energy: -149.931
where: short stacking energy: -74.318
Base-Backbone interact. energy: -0.101
local terms energy: -86.992181
where:
bonds (distance) C4'-P energy: -17.976
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -18.520
flat angles P-C4'-P energy: -14.091
tors. eta vs tors. theta energy: -19.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -194.118754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.118754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.118754 (E_RNA)
where:
Base-Base interactions energy: -120.858
where: short stacking energy: -61.877
Base-Backbone interact. energy: -0.010
local terms energy: -73.249878
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -9.404
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: 5
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -183.870839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.870839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.870839 (E_RNA)
where:
Base-Base interactions energy: -118.698
where: short stacking energy: -50.517
Base-Backbone interact. energy: -0.279
local terms energy: -64.894117
where:
bonds (distance) C4'-P energy: -11.542
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -13.329
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: 6, replica: 9
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -184.579005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.579005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.579005 (E_RNA)
where:
Base-Base interactions energy: -111.711
where: short stacking energy: -53.065
Base-Backbone interact. energy: 0.096
local terms energy: -72.963823
where:
bonds (distance) C4'-P energy: -19.708
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -12.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -149.692068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.692068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.692068 (E_RNA)
where:
Base-Base interactions energy: -89.881
where: short stacking energy: -52.897
Base-Backbone interact. energy: -0.046
local terms energy: -59.765653
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -11.894
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: 7
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -194.649753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.649753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.649753 (E_RNA)
where:
Base-Base interactions energy: -125.831
where: short stacking energy: -59.337
Base-Backbone interact. energy: -0.670
local terms energy: -68.148695
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -7.369
tors. eta vs tors. theta energy: -17.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -88.090796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.090796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.090796 (E_RNA)
where:
Base-Base interactions energy: -33.080
where: short stacking energy: -33.080
Base-Backbone interact. energy: -0.129
local terms energy: -54.881424
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -9.547
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: -3.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -105.274652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.274652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.274652 (E_RNA)
where:
Base-Base interactions energy: -51.950
where: short stacking energy: -33.727
Base-Backbone interact. energy: -0.290
local terms energy: -53.034051
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -18.142
flat angles C4'-P-C4' energy: -11.490
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -2.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -250.533620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.533620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.533620 (E_RNA)
where:
Base-Base interactions energy: -178.128
where: short stacking energy: -64.552
Base-Backbone interact. energy: -0.836
local terms energy: -71.569610
where:
bonds (distance) C4'-P energy: -17.362
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -17.540
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -9.048
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: 2
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -225.428015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.428015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.428015 (E_RNA)
where:
Base-Base interactions energy: -142.113
where: short stacking energy: -70.288
Base-Backbone interact. energy: -0.659
local terms energy: -82.655788
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -20.051
flat angles C4'-P-C4' energy: -18.114
flat angles P-C4'-P energy: -12.845
tors. eta vs tors. theta energy: -15.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -206.723550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.723550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.723550 (E_RNA)
where:
Base-Base interactions energy: -130.537
where: short stacking energy: -67.194
Base-Backbone interact. energy: -0.006
local terms energy: -76.180317
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -19.331
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -5.902
tors. eta vs tors. theta energy: -19.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -192.067917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.067917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.067917 (E_RNA)
where:
Base-Base interactions energy: -122.276
where: short stacking energy: -69.295
Base-Backbone interact. energy: -0.001
local terms energy: -69.791370
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -7.159
tors. eta vs tors. theta energy: -17.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -187.532418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.532418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.532418 (E_RNA)
where:
Base-Base interactions energy: -116.462
where: short stacking energy: -63.657
Base-Backbone interact. energy: -0.051
local terms energy: -71.020061
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -18.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -171.173153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.173153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.173153 (E_RNA)
where:
Base-Base interactions energy: -102.507
where: short stacking energy: -56.349
Base-Backbone interact. energy: -0.201
local terms energy: -68.465257
where:
bonds (distance) C4'-P energy: -16.199
bonds (distance) P-C4' energy: -18.484
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -8.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -159.560682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.560682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.560682 (E_RNA)
where:
Base-Base interactions energy: -100.754
where: short stacking energy: -47.918
Base-Backbone interact. energy: 0.017
local terms energy: -58.823608
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -16.403
flat angles P-C4'-P energy: -5.297
tors. eta vs tors. theta energy: -8.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -179.032051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.032051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.032051 (E_RNA)
where:
Base-Base interactions energy: -108.392
where: short stacking energy: -44.130
Base-Backbone interact. energy: -0.347
local terms energy: -70.292713
where:
bonds (distance) C4'-P energy: -17.278
bonds (distance) P-C4' energy: -12.048
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -13.790
tors. eta vs tors. theta energy: -10.719
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: 10
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -96.945347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.945347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.945347 (E_RNA)
where:
Base-Base interactions energy: -44.117
where: short stacking energy: -40.800
Base-Backbone interact. energy: -0.027
local terms energy: -52.801674
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -19.479
flat angles P-C4'-P energy: -4.241
tors. eta vs tors. theta energy: -4.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -79.893307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.893307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.893307 (E_RNA)
where:
Base-Base interactions energy: -21.533
where: short stacking energy: -21.533
Base-Backbone interact. energy: -0.464
local terms energy: -57.896772
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: 1.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -227.812249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.812249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.812249 (E_RNA)
where:
Base-Base interactions energy: -139.573
where: short stacking energy: -71.012
Base-Backbone interact. energy: 1.145
local terms energy: -89.384470
where:
bonds (distance) C4'-P energy: -19.200
bonds (distance) P-C4' energy: -19.359
flat angles C4'-P-C4' energy: -18.330
flat angles P-C4'-P energy: -12.597
tors. eta vs tors. theta energy: -19.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -236.065196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.065196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.065196 (E_RNA)
where:
Base-Base interactions energy: -172.618
where: short stacking energy: -60.022
Base-Backbone interact. energy: 0.390
local terms energy: -63.837501
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -6.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -213.112631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.112631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.112631 (E_RNA)
where:
Base-Base interactions energy: -139.205
where: short stacking energy: -73.415
Base-Backbone interact. energy: -0.068
local terms energy: -73.839753
where:
bonds (distance) C4'-P energy: -11.054
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -20.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -202.253989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.253989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.253989 (E_RNA)
where:
Base-Base interactions energy: -124.888
where: short stacking energy: -72.594
Base-Backbone interact. energy: -0.038
local terms energy: -77.327240
where:
bonds (distance) C4'-P energy: -17.056
bonds (distance) P-C4' energy: -11.613
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -8.783
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: 286
Temperature: 1.100000
Total energy: -198.182704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.182704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.182704 (E_RNA)
where:
Base-Base interactions energy: -119.491
where: short stacking energy: -57.184
Base-Backbone interact. energy: -0.302
local terms energy: -78.389154
where:
bonds (distance) C4'-P energy: -18.251
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -16.580
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: 3
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -161.553315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.553315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.553315 (E_RNA)
where:
Base-Base interactions energy: -91.817
where: short stacking energy: -46.599
Base-Backbone interact. energy: -0.063
local terms energy: -69.673201
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -14.012
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -12.892
tors. eta vs tors. theta energy: -11.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -154.089753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.089753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.089753 (E_RNA)
where:
Base-Base interactions energy: -96.405
where: short stacking energy: -42.886
Base-Backbone interact. energy: 0.031
local terms energy: -57.715283
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -19.432
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -2.525
tors. eta vs tors. theta energy: -9.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -154.881918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.881918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.881918 (E_RNA)
where:
Base-Base interactions energy: -95.385
where: short stacking energy: -46.599
Base-Backbone interact. energy: -0.196
local terms energy: -59.301133
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -5.952
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: 9, replica: 10
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -101.486688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.486688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.486688 (E_RNA)
where:
Base-Base interactions energy: -43.862
where: short stacking energy: -36.227
Base-Backbone interact. energy: -0.051
local terms energy: -57.573760
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -2.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -83.191630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.191630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.191630 (E_RNA)
where:
Base-Base interactions energy: -36.482
where: short stacking energy: -25.185
Base-Backbone interact. energy: -0.153
local terms energy: -46.556489
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: 5.996
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: 2
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -226.900371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.900371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.900371 (E_RNA)
where:
Base-Base interactions energy: -143.283
where: short stacking energy: -63.635
Base-Backbone interact. energy: -0.104
local terms energy: -83.513515
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -18.901
flat angles C4'-P-C4' energy: -17.838
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: -17.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -230.672042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.672042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.672042 (E_RNA)
where:
Base-Base interactions energy: -149.758
where: short stacking energy: -72.645
Base-Backbone interact. energy: -0.491
local terms energy: -80.423306
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -19.758
flat angles C4'-P-C4' energy: -18.634
flat angles P-C4'-P energy: -10.455
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: 3, replica: 6
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -229.900411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.900411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.900411 (E_RNA)
where:
Base-Base interactions energy: -163.006
where: short stacking energy: -67.613
Base-Backbone interact. energy: -0.480
local terms energy: -66.414987
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -18.787
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -5.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -194.999523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.999523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.999523 (E_RNA)
where:
Base-Base interactions energy: -125.727
where: short stacking energy: -61.658
Base-Backbone interact. energy: -0.113
local terms energy: -69.159912
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -15.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -189.706751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.706751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.706751 (E_RNA)
where:
Base-Base interactions energy: -116.182
where: short stacking energy: -57.761
Base-Backbone interact. energy: -0.880
local terms energy: -72.644910
where:
bonds (distance) C4'-P energy: -9.527
bonds (distance) P-C4' energy: -19.439
flat angles C4'-P-C4' energy: -19.699
flat angles P-C4'-P energy: -14.210
tors. eta vs tors. theta energy: -9.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -188.394750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.394750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.394750 (E_RNA)
where:
Base-Base interactions energy: -116.443
where: short stacking energy: -75.371
Base-Backbone interact. energy: -0.021
local terms energy: -71.930549
where:
bonds (distance) C4'-P energy: -10.434
bonds (distance) P-C4' energy: -12.794
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -20.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -161.590324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.590324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.590324 (E_RNA)
where:
Base-Base interactions energy: -96.484
where: short stacking energy: -55.821
Base-Backbone interact. energy: 0.163
local terms energy: -65.269131
where:
bonds (distance) C4'-P energy: -9.437
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -17.267
flat angles P-C4'-P energy: -13.370
tors. eta vs tors. theta energy: -9.657
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: 8, replica: 9
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -179.047594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.047594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.047594 (E_RNA)
where:
Base-Base interactions energy: -109.434
where: short stacking energy: -51.120
Base-Backbone interact. energy: -0.451
local terms energy: -69.162422
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -13.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -90.836006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.836006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.836006 (E_RNA)
where:
Base-Base interactions energy: -34.176
where: short stacking energy: -18.590
Base-Backbone interact. energy: -0.728
local terms energy: -55.931188
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -17.496
flat angles C4'-P-C4' energy: -17.965
flat angles P-C4'-P energy: -7.710
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: 10, replica: 1
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -87.787858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.787858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.787858 (E_RNA)
where:
Base-Base interactions energy: -30.380
where: short stacking energy: -29.140
Base-Backbone interact. energy: 0.197
local terms energy: -57.604999
where:
bonds (distance) C4'-P energy: -16.784
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -1.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -231.939997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.939997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.939997 (E_RNA)
where:
Base-Base interactions energy: -156.326
where: short stacking energy: -69.747
Base-Backbone interact. energy: -0.194
local terms energy: -75.420247
where:
bonds (distance) C4'-P energy: -15.458
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -6.657
tors. eta vs tors. theta energy: -17.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -217.600155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.600155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.600155 (E_RNA)
where:
Base-Base interactions energy: -130.620
where: short stacking energy: -61.443
Base-Backbone interact. energy: -0.151
local terms energy: -86.828957
where:
bonds (distance) C4'-P energy: -18.177
bonds (distance) P-C4' energy: -21.088
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -14.318
tors. eta vs tors. theta energy: -17.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -232.176069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.176069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.176069 (E_RNA)
where:
Base-Base interactions energy: -150.753
where: short stacking energy: -49.613
Base-Backbone interact. energy: -0.761
local terms energy: -80.661617
where:
bonds (distance) C4'-P energy: -18.267
bonds (distance) P-C4' energy: -19.883
flat angles C4'-P-C4' energy: -19.029
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -11.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -206.556771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.556771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.556771 (E_RNA)
where:
Base-Base interactions energy: -131.817
where: short stacking energy: -66.123
Base-Backbone interact. energy: 0.423
local terms energy: -75.162425
where:
bonds (distance) C4'-P energy: -18.176
bonds (distance) P-C4' energy: -14.178
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -17.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -191.701955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.701955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.701955 (E_RNA)
where:
Base-Base interactions energy: -116.706
where: short stacking energy: -50.194
Base-Backbone interact. energy: -0.232
local terms energy: -74.764087
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -18.513
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -14.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -199.683000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.683000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.683000 (E_RNA)
where:
Base-Base interactions energy: -121.171
where: short stacking energy: -66.955
Base-Backbone interact. energy: -0.099
local terms energy: -78.413447
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -19.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -162.558143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.558143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.558143 (E_RNA)
where:
Base-Base interactions energy: -99.119
where: short stacking energy: -50.965
Base-Backbone interact. energy: -0.238
local terms energy: -63.201385
where:
bonds (distance) C4'-P energy: -15.653
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -9.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -142.717071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.717071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.717071 (E_RNA)
where:
Base-Base interactions energy: -77.763
where: short stacking energy: -39.246
Base-Backbone interact. energy: -0.310
local terms energy: -64.644803
where:
bonds (distance) C4'-P energy: -8.203
bonds (distance) P-C4' energy: -19.005
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -14.674
tors. eta vs tors. theta energy: -10.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -99.485743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.485743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.485743 (E_RNA)
where:
Base-Base interactions energy: -36.666
where: short stacking energy: -36.417
Base-Backbone interact. energy: -0.123
local terms energy: -62.696161
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -14.841
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -13.194
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: 10, replica: 10
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -86.322006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.322006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.322006 (E_RNA)
where:
Base-Base interactions energy: -35.584
where: short stacking energy: -34.898
Base-Backbone interact. energy: 0.157
local terms energy: -50.894262
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -13.543
flat angles C4'-P-C4' energy: -7.892
flat angles P-C4'-P energy: -7.364
tors. eta vs tors. theta energy: -5.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -234.629857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.629857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.629857 (E_RNA)
where:
Base-Base interactions energy: -148.468
where: short stacking energy: -75.509
Base-Backbone interact. energy: -0.148
local terms energy: -86.013725
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -18.820
flat angles P-C4'-P energy: -14.616
tors. eta vs tors. theta energy: -19.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -234.091718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.091718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.091718 (E_RNA)
where:
Base-Base interactions energy: -155.921
where: short stacking energy: -64.397
Base-Backbone interact. energy: -0.576
local terms energy: -77.594657
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -17.046
flat angles C4'-P-C4' energy: -18.785
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: -15.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -227.563861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.563861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.563861 (E_RNA)
where:
Base-Base interactions energy: -144.721
where: short stacking energy: -70.274
Base-Backbone interact. energy: -0.113
local terms energy: -82.730701
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -19.949
flat angles C4'-P-C4' energy: -19.667
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -17.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -193.438066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.438066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.438066 (E_RNA)
where:
Base-Base interactions energy: -112.007
where: short stacking energy: -54.344
Base-Backbone interact. energy: -0.008
local terms energy: -81.423112
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -18.072
flat angles C4'-P-C4' energy: -20.674
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -15.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -191.828834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.828834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.828834 (E_RNA)
where:
Base-Base interactions energy: -123.689
where: short stacking energy: -51.426
Base-Backbone interact. energy: -0.235
local terms energy: -67.904135
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -11.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -159.961824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.961824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.961824 (E_RNA)
where:
Base-Base interactions energy: -96.762
where: short stacking energy: -52.217
Base-Backbone interact. energy: -0.027
local terms energy: -63.172236
where:
bonds (distance) C4'-P energy: -15.689
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -8.630
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: 7, replica: 4
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -173.446466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.446466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.446466 (E_RNA)
where:
Base-Base interactions energy: -101.427
where: short stacking energy: -52.559
Base-Backbone interact. energy: -0.652
local terms energy: -71.368008
where:
bonds (distance) C4'-P energy: -17.842
bonds (distance) P-C4' energy: -18.245
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -3.918
tors. eta vs tors. theta energy: -14.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -131.492420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.492420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.492420 (E_RNA)
where:
Base-Base interactions energy: -75.180
where: short stacking energy: -34.734
Base-Backbone interact. energy: -0.566
local terms energy: -55.745606
where:
bonds (distance) C4'-P energy: -13.049
bonds (distance) P-C4' energy: -16.426
flat angles C4'-P-C4' energy: -10.259
flat angles P-C4'-P energy: -9.414
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: 9, replica: 9
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -160.193050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.193050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.193050 (E_RNA)
where:
Base-Base interactions energy: -84.963
where: short stacking energy: -41.394
Base-Backbone interact. energy: -0.160
local terms energy: -75.070608
where:
bonds (distance) C4'-P energy: -17.615
bonds (distance) P-C4' energy: -17.176
flat angles C4'-P-C4' energy: -12.576
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -16.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -101.856193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.856193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.856193 (E_RNA)
where:
Base-Base interactions energy: -40.360
where: short stacking energy: -26.848
Base-Backbone interact. energy: -0.200
local terms energy: -61.296093
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -11.358
flat angles P-C4'-P energy: -14.302
tors. eta vs tors. theta energy: -3.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -239.887983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.887983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.887983 (E_RNA)
where:
Base-Base interactions energy: -162.898
where: short stacking energy: -67.564
Base-Backbone interact. energy: 2.545
local terms energy: -79.534523
where:
bonds (distance) C4'-P energy: -19.682
bonds (distance) P-C4' energy: -19.503
flat angles C4'-P-C4' energy: -18.980
flat angles P-C4'-P energy: -7.900
tors. eta vs tors. theta energy: -13.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -230.705643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.705643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.705643 (E_RNA)
where:
Base-Base interactions energy: -142.997
where: short stacking energy: -76.981
Base-Backbone interact. energy: -0.279
local terms energy: -87.429946
where:
bonds (distance) C4'-P energy: -18.231
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -11.717
tors. eta vs tors. theta energy: -23.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -193.356251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.356251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.356251 (E_RNA)
where:
Base-Base interactions energy: -125.643
where: short stacking energy: -58.684
Base-Backbone interact. energy: 0.596
local terms energy: -68.309436
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -19.114
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -12.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -205.420139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.420139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.420139 (E_RNA)
where:
Base-Base interactions energy: -122.685
where: short stacking energy: -65.934
Base-Backbone interact. energy: -0.090
local terms energy: -82.645090
where:
bonds (distance) C4'-P energy: -18.233
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -13.437
tors. eta vs tors. theta energy: -18.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -195.841035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.841035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.841035 (E_RNA)
where:
Base-Base interactions energy: -113.400
where: short stacking energy: -69.260
Base-Backbone interact. energy: -0.027
local terms energy: -82.413645
where:
bonds (distance) C4'-P energy: -18.455
bonds (distance) P-C4' energy: -12.046
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -11.372
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: 6, replica: 3
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -162.305392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.305392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.305392 (E_RNA)
where:
Base-Base interactions energy: -92.557
where: short stacking energy: -48.077
Base-Backbone interact. energy: -0.249
local terms energy: -69.499616
where:
bonds (distance) C4'-P energy: -15.703
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -18.556
flat angles P-C4'-P energy: -12.768
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: 7, replica: 4
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -162.927477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.927477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.927477 (E_RNA)
where:
Base-Base interactions energy: -96.036
where: short stacking energy: -45.589
Base-Backbone interact. energy: -0.022
local terms energy: -66.869567
where:
bonds (distance) C4'-P energy: -19.299
bonds (distance) P-C4' energy: -18.290
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -4.458
tors. eta vs tors. theta energy: -11.284
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: 1
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -108.523747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.523747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.523747 (E_RNA)
where:
Base-Base interactions energy: -53.954
where: short stacking energy: -33.499
Base-Backbone interact. energy: -0.066
local terms energy: -54.502968
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -10.324
flat angles C4'-P-C4' energy: -12.330
flat angles P-C4'-P energy: -6.851
tors. eta vs tors. theta energy: -8.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -90.797845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.797845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.797845 (E_RNA)
where:
Base-Base interactions energy: -33.089
where: short stacking energy: -33.089
Base-Backbone interact. energy: -0.113
local terms energy: -57.595127
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -18.315
flat angles P-C4'-P energy: -6.239
tors. eta vs tors. theta energy: -0.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -86.185081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.185081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.185081 (E_RNA)
where:
Base-Base interactions energy: -27.160
where: short stacking energy: -23.579
Base-Backbone interact. energy: 0.196
local terms energy: -59.220894
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -17.780
flat angles C4'-P-C4' energy: -20.529
flat angles P-C4'-P energy: -7.794
tors. eta vs tors. theta energy: 3.640
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: 6
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -246.172090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.172090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.172090 (E_RNA)
where:
Base-Base interactions energy: -167.343
where: short stacking energy: -67.890
Base-Backbone interact. energy: -0.649
local terms energy: -78.179512
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -19.241
flat angles P-C4'-P energy: -8.982
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: 2, replica: 8
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -230.807180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.807180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.807180 (E_RNA)
where:
Base-Base interactions energy: -143.065
where: short stacking energy: -70.163
Base-Backbone interact. energy: -0.090
local terms energy: -87.651996
where:
bonds (distance) C4'-P energy: -15.449
bonds (distance) P-C4' energy: -18.650
flat angles C4'-P-C4' energy: -19.429
flat angles P-C4'-P energy: -13.194
tors. eta vs tors. theta energy: -20.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -193.111793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.111793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.111793 (E_RNA)
where:
Base-Base interactions energy: -116.506
where: short stacking energy: -56.337
Base-Backbone interact. energy: 0.170
local terms energy: -76.776144
where:
bonds (distance) C4'-P energy: -17.574
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -14.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -205.763282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.763282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.763282 (E_RNA)
where:
Base-Base interactions energy: -133.705
where: short stacking energy: -61.674
Base-Backbone interact. energy: -0.174
local terms energy: -71.884284
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -19.096
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: -12.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -194.006738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.006738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.006738 (E_RNA)
where:
Base-Base interactions energy: -130.174
where: short stacking energy: -64.646
Base-Backbone interact. energy: -0.132
local terms energy: -63.701329
where:
bonds (distance) C4'-P energy: -6.768
bonds (distance) P-C4' energy: -18.177
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -7.602
tors. eta vs tors. theta energy: -14.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -184.145530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.145530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.145530 (E_RNA)
where:
Base-Base interactions energy: -114.542
where: short stacking energy: -63.171
Base-Backbone interact. energy: -0.073
local terms energy: -69.529766
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -12.755
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -16.178
tors. eta vs tors. theta energy: -16.023
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: 3
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -157.621950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.621950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.621950 (E_RNA)
where:
Base-Base interactions energy: -94.430
where: short stacking energy: -46.083
Base-Backbone interact. energy: 1.531
local terms energy: -64.723052
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -11.821
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -11.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -125.229948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.229948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.229948 (E_RNA)
where:
Base-Base interactions energy: -55.642
where: short stacking energy: -52.303
Base-Backbone interact. energy: -0.067
local terms energy: -69.521029
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -12.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -91.063232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.063232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.063232 (E_RNA)
where:
Base-Base interactions energy: -30.188
where: short stacking energy: -30.188
Base-Backbone interact. energy: -0.302
local terms energy: -60.573118
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -16.689
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: -6.345
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: 291
Temperature: 1.350000
Total energy: -86.254923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.254923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.254923 (E_RNA)
where:
Base-Base interactions energy: -25.074
where: short stacking energy: -25.335
Base-Backbone interact. energy: -1.394
local terms energy: -59.786820
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -19.929
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -0.433
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: 8
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -244.652448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.652448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.652448 (E_RNA)
where:
Base-Base interactions energy: -161.483
where: short stacking energy: -78.811
Base-Backbone interact. energy: 0.253
local terms energy: -83.422307
where:
bonds (distance) C4'-P energy: -17.887
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -24.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -230.253804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.253804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.253804 (E_RNA)
where:
Base-Base interactions energy: -159.673
where: short stacking energy: -67.494
Base-Backbone interact. energy: 5.919
local terms energy: -76.499828
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -13.488
tors. eta vs tors. theta energy: -16.832
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: 3, replica: 2
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -222.177933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.177933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.177933 (E_RNA)
where:
Base-Base interactions energy: -150.906
where: short stacking energy: -66.312
Base-Backbone interact. energy: -0.134
local terms energy: -71.137789
where:
bonds (distance) C4'-P energy: -16.397
bonds (distance) P-C4' energy: -19.014
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -6.002
tors. eta vs tors. theta energy: -16.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -197.216902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.216902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.216902 (E_RNA)
where:
Base-Base interactions energy: -121.971
where: short stacking energy: -61.909
Base-Backbone interact. energy: -0.130
local terms energy: -75.115340
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -13.303
tors. eta vs tors. theta energy: -18.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -199.510953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.510953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.510953 (E_RNA)
where:
Base-Base interactions energy: -123.700
where: short stacking energy: -69.477
Base-Backbone interact. energy: -0.039
local terms energy: -75.772052
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -8.492
tors. eta vs tors. theta energy: -19.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -182.307774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.307774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.307774 (E_RNA)
where:
Base-Base interactions energy: -120.016
where: short stacking energy: -57.521
Base-Backbone interact. energy: 0.110
local terms energy: -62.401824
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -5.003
tors. eta vs tors. theta energy: -11.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -173.630599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.630599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.630599 (E_RNA)
where:
Base-Base interactions energy: -108.930
where: short stacking energy: -57.707
Base-Backbone interact. energy: -0.059
local terms energy: -64.641253
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -11.666
flat angles C4'-P-C4' energy: -10.764
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -16.203
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: 1
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -95.707627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.707627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.707627 (E_RNA)
where:
Base-Base interactions energy: -36.855
where: short stacking energy: -32.262
Base-Backbone interact. energy: -0.168
local terms energy: -58.684858
where:
bonds (distance) C4'-P energy: -13.703
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -5.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -92.560889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.560889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.560889 (E_RNA)
where:
Base-Base interactions energy: -32.459
where: short stacking energy: -32.729
Base-Backbone interact. energy: 0.947
local terms energy: -61.049204
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -13.907
flat angles C4'-P-C4' energy: -12.754
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: -4.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -89.919240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.919240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.919240 (E_RNA)
where:
Base-Base interactions energy: -32.823
where: short stacking energy: -32.823
Base-Backbone interact. energy: -0.127
local terms energy: -56.968947
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -7.954
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: 1, replica: 8
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -245.745053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.745053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.745053 (E_RNA)
where:
Base-Base interactions energy: -155.428
where: short stacking energy: -76.932
Base-Backbone interact. energy: -0.102
local terms energy: -90.215944
where:
bonds (distance) C4'-P energy: -18.798
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -18.554
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -22.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -230.904881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.904881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.904881 (E_RNA)
where:
Base-Base interactions energy: -156.999
where: short stacking energy: -63.884
Base-Backbone interact. energy: -0.640
local terms energy: -73.266065
where:
bonds (distance) C4'-P energy: -17.704
bonds (distance) P-C4' energy: -14.133
flat angles C4'-P-C4' energy: -18.119
flat angles P-C4'-P energy: -7.671
tors. eta vs tors. theta energy: -15.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -214.988106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.988106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.988106 (E_RNA)
where:
Base-Base interactions energy: -140.228
where: short stacking energy: -71.405
Base-Backbone interact. energy: -0.084
local terms energy: -74.675774
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -19.711
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -15.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -195.465655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.465655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.465655 (E_RNA)
where:
Base-Base interactions energy: -128.513
where: short stacking energy: -50.352
Base-Backbone interact. energy: -0.131
local terms energy: -66.821289
where:
bonds (distance) C4'-P energy: -15.326
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -13.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -191.850858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.850858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.850858 (E_RNA)
where:
Base-Base interactions energy: -114.640
where: short stacking energy: -60.022
Base-Backbone interact. energy: 0.194
local terms energy: -77.404746
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -19.266
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -15.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -178.158064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.158064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.158064 (E_RNA)
where:
Base-Base interactions energy: -106.883
where: short stacking energy: -54.756
Base-Backbone interact. energy: -0.274
local terms energy: -71.001094
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -14.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -189.361007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.361007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.361007 (E_RNA)
where:
Base-Base interactions energy: -111.594
where: short stacking energy: -58.453
Base-Backbone interact. energy: 0.173
local terms energy: -77.939819
where:
bonds (distance) C4'-P energy: -15.782
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -19.492
flat angles P-C4'-P energy: -9.564
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: 8, replica: 1
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -95.319793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.319793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.319793 (E_RNA)
where:
Base-Base interactions energy: -41.127
where: short stacking energy: -17.674
Base-Backbone interact. energy: 1.453
local terms energy: -55.645746
where:
bonds (distance) C4'-P energy: -17.705
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: 7.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -103.296503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.296503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.296503 (E_RNA)
where:
Base-Base interactions energy: -42.742
where: short stacking energy: -31.039
Base-Backbone interact. energy: 1.286
local terms energy: -61.840423
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -13.145
flat angles P-C4'-P energy: -14.049
tors. eta vs tors. theta energy: -5.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -98.114014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.114014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.114014 (E_RNA)
where:
Base-Base interactions energy: -28.356
where: short stacking energy: -28.356
Base-Backbone interact. energy: -0.095
local terms energy: -69.663095
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -18.219
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -10.825
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: 6
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -233.882712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.882712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.882712 (E_RNA)
where:
Base-Base interactions energy: -154.663
where: short stacking energy: -63.517
Base-Backbone interact. energy: -0.675
local terms energy: -78.544830
where:
bonds (distance) C4'-P energy: -17.538
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -19.306
flat angles P-C4'-P energy: -12.982
tors. eta vs tors. theta energy: -12.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -230.745176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.745176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.745176 (E_RNA)
where:
Base-Base interactions energy: -145.644
where: short stacking energy: -74.871
Base-Backbone interact. energy: -0.264
local terms energy: -84.838049
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -17.811
flat angles C4'-P-C4' energy: -17.168
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -19.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -214.102708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.102708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.102708 (E_RNA)
where:
Base-Base interactions energy: -136.685
where: short stacking energy: -69.346
Base-Backbone interact. energy: -0.119
local terms energy: -77.298280
where:
bonds (distance) C4'-P energy: -18.475
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -18.254
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -15.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -201.144935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.144935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.144935 (E_RNA)
where:
Base-Base interactions energy: -125.406
where: short stacking energy: -61.019
Base-Backbone interact. energy: -0.137
local terms energy: -75.601926
where:
bonds (distance) C4'-P energy: -19.029
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -15.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -193.207562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.207562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.207562 (E_RNA)
where:
Base-Base interactions energy: -115.285
where: short stacking energy: -58.717
Base-Backbone interact. energy: -0.070
local terms energy: -77.853153
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -16.466
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -16.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -173.789115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.789115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.789115 (E_RNA)
where:
Base-Base interactions energy: -106.021
where: short stacking energy: -64.260
Base-Backbone interact. energy: -0.068
local terms energy: -67.699776
where:
bonds (distance) C4'-P energy: -10.666
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -6.703
tors. eta vs tors. theta energy: -17.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -170.948599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.948599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.948599 (E_RNA)
where:
Base-Base interactions energy: -99.535
where: short stacking energy: -46.212
Base-Backbone interact. energy: -0.614
local terms energy: -70.799373
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -13.099
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -14.655
tors. eta vs tors. theta energy: -9.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -105.154931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.154931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.154931 (E_RNA)
where:
Base-Base interactions energy: -46.393
where: short stacking energy: -46.393
Base-Backbone interact. energy: -0.145
local terms energy: -58.616482
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -11.903
flat angles P-C4'-P energy: -6.872
tors. eta vs tors. theta energy: -8.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -116.636988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.636988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.636988 (E_RNA)
where:
Base-Base interactions energy: -61.714
where: short stacking energy: -31.276
Base-Backbone interact. energy: -0.120
local terms energy: -54.803300
where:
bonds (distance) C4'-P energy: -11.497
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -1.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -89.284326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.284326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.284326 (E_RNA)
where:
Base-Base interactions energy: -29.589
where: short stacking energy: -27.674
Base-Backbone interact. energy: -0.513
local terms energy: -59.182731
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -4.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -234.206926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.206926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.206926 (E_RNA)
where:
Base-Base interactions energy: -154.158
where: short stacking energy: -69.481
Base-Backbone interact. energy: 0.844
local terms energy: -80.893725
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -17.834
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -18.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -238.306293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.306293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.306293 (E_RNA)
where:
Base-Base interactions energy: -152.837
where: short stacking energy: -70.355
Base-Backbone interact. energy: -0.088
local terms energy: -85.381048
where:
bonds (distance) C4'-P energy: -18.549
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -19.702
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -18.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -212.803109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.803109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.803109 (E_RNA)
where:
Base-Base interactions energy: -133.297
where: short stacking energy: -69.441
Base-Backbone interact. energy: -0.149
local terms energy: -79.358030
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -16.773
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -20.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -200.302390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.302390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.302390 (E_RNA)
where:
Base-Base interactions energy: -124.824
where: short stacking energy: -63.273
Base-Backbone interact. energy: -0.051
local terms energy: -75.427376
where:
bonds (distance) C4'-P energy: -14.336
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -20.532
flat angles P-C4'-P energy: -10.857
tors. eta vs tors. theta energy: -16.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -181.939180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.939180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.939180 (E_RNA)
where:
Base-Base interactions energy: -118.787
where: short stacking energy: -46.544
Base-Backbone interact. energy: -0.230
local terms energy: -62.922182
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -18.709
flat angles C4'-P-C4' energy: -10.901
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -9.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -172.340575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.340575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.340575 (E_RNA)
where:
Base-Base interactions energy: -108.100
where: short stacking energy: -49.431
Base-Backbone interact. energy: -0.505
local terms energy: -63.736173
where:
bonds (distance) C4'-P energy: -17.495
bonds (distance) P-C4' energy: -16.652
flat angles C4'-P-C4' energy: -11.821
flat angles P-C4'-P energy: -7.362
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: 7, replica: 7
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -183.000400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.000400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.000400 (E_RNA)
where:
Base-Base interactions energy: -107.502
where: short stacking energy: -50.451
Base-Backbone interact. energy: -0.033
local terms energy: -75.465483
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -18.916
flat angles P-C4'-P energy: -15.313
tors. eta vs tors. theta energy: -12.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -157.872779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.872779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.872779 (E_RNA)
where:
Base-Base interactions energy: -86.781
where: short stacking energy: -46.862
Base-Backbone interact. energy: -0.204
local terms energy: -70.888007
where:
bonds (distance) C4'-P energy: -19.137
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -9.214
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: 1
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -86.724885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.724885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.724885 (E_RNA)
where:
Base-Base interactions energy: -31.506
where: short stacking energy: -19.222
Base-Backbone interact. energy: -0.084
local terms energy: -55.134868
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -10.898
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -11.537
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: 10
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -84.222312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.222312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.222312 (E_RNA)
where:
Base-Base interactions energy: -26.216
where: short stacking energy: -26.216
Base-Backbone interact. energy: -0.372
local terms energy: -57.634816
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -19.464
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: 0.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -247.501941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.501941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.501941 (E_RNA)
where:
Base-Base interactions energy: -163.355
where: short stacking energy: -64.701
Base-Backbone interact. energy: -1.601
local terms energy: -82.545593
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -18.734
flat angles P-C4'-P energy: -16.251
tors. eta vs tors. theta energy: -16.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -242.909005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.909005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.909005 (E_RNA)
where:
Base-Base interactions energy: -158.666
where: short stacking energy: -75.819
Base-Backbone interact. energy: -0.095
local terms energy: -84.148910
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -18.995
flat angles C4'-P-C4' energy: -17.717
flat angles P-C4'-P energy: -11.166
tors. eta vs tors. theta energy: -22.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -206.822322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.822322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.822322 (E_RNA)
where:
Base-Base interactions energy: -122.779
where: short stacking energy: -62.094
Base-Backbone interact. energy: -0.124
local terms energy: -83.919777
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -18.159
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -19.568
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: 4, replica: 2
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -202.535419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.535419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.535419 (E_RNA)
where:
Base-Base interactions energy: -123.744
where: short stacking energy: -69.442
Base-Backbone interact. energy: -0.183
local terms energy: -78.608713
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -16.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -188.594219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.594219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.594219 (E_RNA)
where:
Base-Base interactions energy: -114.105
where: short stacking energy: -60.779
Base-Backbone interact. energy: -0.007
local terms energy: -74.482114
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -17.755
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -15.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -190.574098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.574098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.574098 (E_RNA)
where:
Base-Base interactions energy: -116.447
where: short stacking energy: -47.609
Base-Backbone interact. energy: 0.507
local terms energy: -74.633335
where:
bonds (distance) C4'-P energy: -17.780
bonds (distance) P-C4' energy: -20.054
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -9.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -182.869921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.869921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.869921 (E_RNA)
where:
Base-Base interactions energy: -113.616
where: short stacking energy: -49.281
Base-Backbone interact. energy: -0.346
local terms energy: -68.907644
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -19.185
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -12.430
tors. eta vs tors. theta energy: -8.200
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: 7
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -158.486642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.486642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.486642 (E_RNA)
where:
Base-Base interactions energy: -95.641
where: short stacking energy: -50.802
Base-Backbone interact. energy: 0.979
local terms energy: -63.824416
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -7.831
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: 9, replica: 10
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -95.253652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.253652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.253652 (E_RNA)
where:
Base-Base interactions energy: -37.341
where: short stacking energy: -35.373
Base-Backbone interact. energy: -0.841
local terms energy: -57.071498
where:
bonds (distance) C4'-P energy: -17.547
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -11.970
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -3.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -81.878143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.878143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.878143 (E_RNA)
where:
Base-Base interactions energy: -32.844
where: short stacking energy: -28.010
Base-Backbone interact. energy: -0.138
local terms energy: -48.895628
where:
bonds (distance) C4'-P energy: -15.414
bonds (distance) P-C4' energy: -17.768
flat angles C4'-P-C4' energy: -1.717
flat angles P-C4'-P energy: -9.105
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: 6
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -253.580571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.580571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.580571 (E_RNA)
where:
Base-Base interactions energy: -170.145
where: short stacking energy: -76.871
Base-Backbone interact. energy: -0.313
local terms energy: -83.122725
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -18.462
flat angles P-C4'-P energy: -14.004
tors. eta vs tors. theta energy: -17.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -239.312386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.312386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.312386 (E_RNA)
where:
Base-Base interactions energy: -158.407
where: short stacking energy: -81.930
Base-Backbone interact. energy: -0.100
local terms energy: -80.805554
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -19.861
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: -22.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -213.130404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.130404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.130404 (E_RNA)
where:
Base-Base interactions energy: -124.438
where: short stacking energy: -63.411
Base-Backbone interact. energy: -0.191
local terms energy: -88.501504
where:
bonds (distance) C4'-P energy: -18.802
bonds (distance) P-C4' energy: -17.561
flat angles C4'-P-C4' energy: -18.706
flat angles P-C4'-P energy: -14.403
tors. eta vs tors. theta energy: -19.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -224.911255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.911255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.911255 (E_RNA)
where:
Base-Base interactions energy: -145.872
where: short stacking energy: -67.583
Base-Backbone interact. energy: -0.102
local terms energy: -78.937164
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -19.460
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -19.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -181.675411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.675411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.675411 (E_RNA)
where:
Base-Base interactions energy: -110.262
where: short stacking energy: -46.833
Base-Backbone interact. energy: -0.126
local terms energy: -71.287750
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -17.503
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -13.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -188.516713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.516713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.516713 (E_RNA)
where:
Base-Base interactions energy: -118.349
where: short stacking energy: -59.229
Base-Backbone interact. energy: -0.382
local terms energy: -69.786144
where:
bonds (distance) C4'-P energy: -15.768
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -14.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -187.781899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.781899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.781899 (E_RNA)
where:
Base-Base interactions energy: -120.608
where: short stacking energy: -59.807
Base-Backbone interact. energy: -0.087
local terms energy: -67.086755
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -11.670
flat angles P-C4'-P energy: -4.240
tors. eta vs tors. theta energy: -20.609
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: 7
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -154.347244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.347244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.347244 (E_RNA)
where:
Base-Base interactions energy: -77.443
where: short stacking energy: -34.996
Base-Backbone interact. energy: -0.377
local terms energy: -76.527714
where:
bonds (distance) C4'-P energy: -15.573
bonds (distance) P-C4' energy: -19.329
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -13.322
tors. eta vs tors. theta energy: -12.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -95.422350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.422350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.422350 (E_RNA)
where:
Base-Base interactions energy: -39.378
where: short stacking energy: -37.041
Base-Backbone interact. energy: -0.120
local terms energy: -55.924454
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -12.962
flat angles C4'-P-C4' energy: -17.338
flat angles P-C4'-P energy: -5.600
tors. eta vs tors. theta energy: -7.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -95.651280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.651280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.651280 (E_RNA)
where:
Base-Base interactions energy: -34.954
where: short stacking energy: -30.978
Base-Backbone interact. energy: -0.397
local terms energy: -60.300662
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -9.809
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -8.011
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: 8
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -234.032726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.032726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.032726 (E_RNA)
where:
Base-Base interactions energy: -148.365
where: short stacking energy: -74.326
Base-Backbone interact. energy: -0.439
local terms energy: -85.228802
where:
bonds (distance) C4'-P energy: -16.968
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -15.066
tors. eta vs tors. theta energy: -22.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -240.287336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.287336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.287336 (E_RNA)
where:
Base-Base interactions energy: -162.955
where: short stacking energy: -79.228
Base-Backbone interact. energy: -0.140
local terms energy: -77.192062
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -19.011
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -18.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -235.705225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.705225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.705225 (E_RNA)
where:
Base-Base interactions energy: -155.224
where: short stacking energy: -71.380
Base-Backbone interact. energy: -0.107
local terms energy: -80.373894
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -20.932
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -19.886
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: 3
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -206.068328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.068328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.068328 (E_RNA)
where:
Base-Base interactions energy: -126.017
where: short stacking energy: -66.414
Base-Backbone interact. energy: -0.353
local terms energy: -79.698395
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -17.032
flat angles C4'-P-C4' energy: -18.389
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -18.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -179.540744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.540744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.540744 (E_RNA)
where:
Base-Base interactions energy: -107.795
where: short stacking energy: -61.227
Base-Backbone interact. energy: -0.219
local terms energy: -71.526327
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -18.552
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -13.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -190.142092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.142092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.142092 (E_RNA)
where:
Base-Base interactions energy: -122.642
where: short stacking energy: -58.996
Base-Backbone interact. energy: -0.105
local terms energy: -67.394953
where:
bonds (distance) C4'-P energy: -17.974
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -5.678
tors. eta vs tors. theta energy: -15.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -170.501975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.501975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.501975 (E_RNA)
where:
Base-Base interactions energy: -105.094
where: short stacking energy: -48.424
Base-Backbone interact. energy: -0.300
local terms energy: -65.107555
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -16.968
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -11.923
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: 8, replica: 9
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -161.326031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.326031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.326031 (E_RNA)
where:
Base-Base interactions energy: -86.337
where: short stacking energy: -43.653
Base-Backbone interact. energy: -0.170
local terms energy: -74.818393
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -17.850
flat angles C4'-P-C4' energy: -18.388
flat angles P-C4'-P energy: -15.264
tors. eta vs tors. theta energy: -6.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -91.297081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.297081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.297081 (E_RNA)
where:
Base-Base interactions energy: -36.484
where: short stacking energy: -32.346
Base-Backbone interact. energy: -0.209
local terms energy: -54.603145
where:
bonds (distance) C4'-P energy: -17.588
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -7.873
flat angles P-C4'-P energy: -7.503
tors. eta vs tors. theta energy: -5.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -82.842041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.842041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.842041 (E_RNA)
where:
Base-Base interactions energy: -33.274
where: short stacking energy: -33.274
Base-Backbone interact. energy: -0.064
local terms energy: -49.504105
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -11.534
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -0.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -234.042359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.042359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.042359 (E_RNA)
where:
Base-Base interactions energy: -149.162
where: short stacking energy: -84.338
Base-Backbone interact. energy: -0.003
local terms energy: -84.876737
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -17.555
flat angles P-C4'-P energy: -13.074
tors. eta vs tors. theta energy: -24.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -227.042615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.042615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.042615 (E_RNA)
where:
Base-Base interactions energy: -144.175
where: short stacking energy: -68.569
Base-Backbone interact. energy: -0.133
local terms energy: -82.734156
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -19.959
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: -18.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -240.327586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.327586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.327586 (E_RNA)
where:
Base-Base interactions energy: -152.498
where: short stacking energy: -78.303
Base-Backbone interact. energy: -0.381
local terms energy: -87.448636
where:
bonds (distance) C4'-P energy: -17.312
bonds (distance) P-C4' energy: -16.301
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -12.785
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: 4, replica: 4
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -205.249165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.249165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.249165 (E_RNA)
where:
Base-Base interactions energy: -124.228
where: short stacking energy: -69.079
Base-Backbone interact. energy: -0.009
local terms energy: -81.012263
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -17.015
flat angles C4'-P-C4' energy: -18.572
flat angles P-C4'-P energy: -9.819
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: 5, replica: 3
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -183.416967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.416967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.416967 (E_RNA)
where:
Base-Base interactions energy: -113.589
where: short stacking energy: -58.075
Base-Backbone interact. energy: -0.183
local terms energy: -69.645224
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -10.947
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: 5
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -189.553074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.553074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.553074 (E_RNA)
where:
Base-Base interactions energy: -113.525
where: short stacking energy: -59.162
Base-Backbone interact. energy: -0.438
local terms energy: -75.589788
where:
bonds (distance) C4'-P energy: -14.311
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -18.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -185.878096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.878096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.878096 (E_RNA)
where:
Base-Base interactions energy: -117.903
where: short stacking energy: -53.701
Base-Backbone interact. energy: -0.459
local terms energy: -67.515885
where:
bonds (distance) C4'-P energy: -12.047
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -16.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -175.070133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.070133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.070133 (E_RNA)
where:
Base-Base interactions energy: -104.283
where: short stacking energy: -48.397
Base-Backbone interact. energy: -0.020
local terms energy: -70.767329
where:
bonds (distance) C4'-P energy: -16.677
bonds (distance) P-C4' energy: -17.871
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -13.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -90.055153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.055153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.055153 (E_RNA)
where:
Base-Base interactions energy: -38.470
where: short stacking energy: -38.470
Base-Backbone interact. energy: -0.154
local terms energy: -51.431289
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -7.617
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -2.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -92.192477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.192477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.192477 (E_RNA)
where:
Base-Base interactions energy: -37.326
where: short stacking energy: -26.807
Base-Backbone interact. energy: -0.186
local terms energy: -54.680027
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -10.404
flat angles P-C4'-P energy: -9.632
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: 1, replica: 2
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -241.002621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.002621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.002621 (E_RNA)
where:
Base-Base interactions energy: -160.873
where: short stacking energy: -79.396
Base-Backbone interact. energy: -0.052
local terms energy: -80.077580
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -15.766
flat angles C4'-P-C4' energy: -18.250
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -19.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -232.258283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.258283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.258283 (E_RNA)
where:
Base-Base interactions energy: -148.100
where: short stacking energy: -75.944
Base-Backbone interact. energy: -0.095
local terms energy: -84.062888
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -19.058
flat angles C4'-P-C4' energy: -19.262
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -20.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -238.282002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.282002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.282002 (E_RNA)
where:
Base-Base interactions energy: -153.190
where: short stacking energy: -73.288
Base-Backbone interact. energy: -0.254
local terms energy: -84.838359
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -17.117
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -22.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -197.985584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.985584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.985584 (E_RNA)
where:
Base-Base interactions energy: -122.220
where: short stacking energy: -69.093
Base-Backbone interact. energy: -0.453
local terms energy: -75.312474
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -10.313
flat angles C4'-P-C4' energy: -18.225
flat angles P-C4'-P energy: -11.849
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: 5
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -196.989268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.989268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.989268 (E_RNA)
where:
Base-Base interactions energy: -126.943
where: short stacking energy: -62.456
Base-Backbone interact. energy: -0.313
local terms energy: -69.733631
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -12.668
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -11.960
tors. eta vs tors. theta energy: -15.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -189.415095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.415095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.415095 (E_RNA)
where:
Base-Base interactions energy: -112.846
where: short stacking energy: -64.382
Base-Backbone interact. energy: -0.062
local terms energy: -76.507216
where:
bonds (distance) C4'-P energy: -10.290
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -18.820
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -17.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -171.395817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.395817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.395817 (E_RNA)
where:
Base-Base interactions energy: -106.207
where: short stacking energy: -57.764
Base-Backbone interact. energy: -0.055
local terms energy: -65.134185
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -17.514
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -9.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -160.231097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.231097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.231097 (E_RNA)
where:
Base-Base interactions energy: -94.313
where: short stacking energy: -44.582
Base-Backbone interact. energy: -0.812
local terms energy: -65.106498
where:
bonds (distance) C4'-P energy: -17.490
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -8.872
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: 9, replica: 10
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -92.672393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.672393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.672393 (E_RNA)
where:
Base-Base interactions energy: -40.695
where: short stacking energy: -27.669
Base-Backbone interact. energy: -0.218
local terms energy: -51.758894
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -16.933
flat angles C4'-P-C4' energy: -4.975
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -2.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -87.857840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.857840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.857840 (E_RNA)
where:
Base-Base interactions energy: -39.550
where: short stacking energy: -34.895
Base-Backbone interact. energy: -0.359
local terms energy: -47.948302
where:
bonds (distance) C4'-P energy: -6.613
bonds (distance) P-C4' energy: -13.242
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -4.063
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: 2
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -244.858147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.858147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.858147 (E_RNA)
where:
Base-Base interactions energy: -162.201
where: short stacking energy: -80.803
Base-Backbone interact. energy: -0.031
local terms energy: -82.625908
where:
bonds (distance) C4'-P energy: -17.320
bonds (distance) P-C4' energy: -17.863
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -21.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -230.781731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.781731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.781731 (E_RNA)
where:
Base-Base interactions energy: -156.535
where: short stacking energy: -75.476
Base-Backbone interact. energy: 1.632
local terms energy: -75.878843
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -18.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -211.321630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.321630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.321630 (E_RNA)
where:
Base-Base interactions energy: -133.585
where: short stacking energy: -65.235
Base-Backbone interact. energy: 0.737
local terms energy: -78.473910
where:
bonds (distance) C4'-P energy: -17.377
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -20.206
flat angles P-C4'-P energy: -7.312
tors. eta vs tors. theta energy: -14.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -209.197784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.197784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.197784 (E_RNA)
where:
Base-Base interactions energy: -126.549
where: short stacking energy: -70.538
Base-Backbone interact. energy: -0.034
local terms energy: -82.614947
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -18.312
flat angles C4'-P-C4' energy: -17.867
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -19.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -182.408114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.408114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.408114 (E_RNA)
where:
Base-Base interactions energy: -101.868
where: short stacking energy: -41.513
Base-Backbone interact. energy: -0.047
local terms energy: -80.492847
where:
bonds (distance) C4'-P energy: -19.857
bonds (distance) P-C4' energy: -18.229
flat angles C4'-P-C4' energy: -19.058
flat angles P-C4'-P energy: -12.588
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: 6, replica: 9
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -185.494130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.494130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.494130 (E_RNA)
where:
Base-Base interactions energy: -122.922
where: short stacking energy: -57.798
Base-Backbone interact. energy: -0.014
local terms energy: -62.557882
where:
bonds (distance) C4'-P energy: -10.877
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -14.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -178.477831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.477831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.477831 (E_RNA)
where:
Base-Base interactions energy: -113.321
where: short stacking energy: -51.079
Base-Backbone interact. energy: -0.052
local terms energy: -65.104949
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -10.722
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -12.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -182.012523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.012523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.012523 (E_RNA)
where:
Base-Base interactions energy: -119.153
where: short stacking energy: -43.224
Base-Backbone interact. energy: -0.210
local terms energy: -62.649471
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -10.829
flat angles P-C4'-P energy: -12.092
tors. eta vs tors. theta energy: -12.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -128.959990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.959990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.959990 (E_RNA)
where:
Base-Base interactions energy: -72.533
where: short stacking energy: -39.559
Base-Backbone interact. energy: -0.315
local terms energy: -56.111674
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -18.315
flat angles P-C4'-P energy: -7.651
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: 1
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -103.005025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.005025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.005025 (E_RNA)
where:
Base-Base interactions energy: -51.487
where: short stacking energy: -32.289
Base-Backbone interact. energy: -0.174
local terms energy: -51.343978
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -10.930
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: -7.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -238.984725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.984725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.984725 (E_RNA)
where:
Base-Base interactions energy: -154.553
where: short stacking energy: -72.928
Base-Backbone interact. energy: -0.510
local terms energy: -83.921655
where:
bonds (distance) C4'-P energy: -18.582
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -18.092
flat angles P-C4'-P energy: -13.313
tors. eta vs tors. theta energy: -18.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -236.539198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.539198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.539198 (E_RNA)
where:
Base-Base interactions energy: -152.689
where: short stacking energy: -72.342
Base-Backbone interact. energy: 0.065
local terms energy: -83.915120
where:
bonds (distance) C4'-P energy: -16.267
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -19.526
flat angles P-C4'-P energy: -13.085
tors. eta vs tors. theta energy: -17.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -223.165594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.165594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.165594 (E_RNA)
where:
Base-Base interactions energy: -134.429
where: short stacking energy: -72.655
Base-Backbone interact. energy: -0.782
local terms energy: -87.953794
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -19.987
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -22.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -196.504471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.504471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.504471 (E_RNA)
where:
Base-Base interactions energy: -123.634
where: short stacking energy: -62.093
Base-Backbone interact. energy: -0.372
local terms energy: -72.498678
where:
bonds (distance) C4'-P energy: -10.971
bonds (distance) P-C4' energy: -16.000
flat angles C4'-P-C4' energy: -19.113
flat angles P-C4'-P energy: -10.103
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: 5
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -189.594955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.594955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.594955 (E_RNA)
where:
Base-Base interactions energy: -116.019
where: short stacking energy: -55.278
Base-Backbone interact. energy: -0.359
local terms energy: -73.217466
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -15.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -182.907681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.907681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.907681 (E_RNA)
where:
Base-Base interactions energy: -115.779
where: short stacking energy: -51.836
Base-Backbone interact. energy: 0.555
local terms energy: -67.684298
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -19.190
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -8.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -160.595719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.595719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.595719 (E_RNA)
where:
Base-Base interactions energy: -87.215
where: short stacking energy: -47.384
Base-Backbone interact. energy: -0.168
local terms energy: -73.212677
where:
bonds (distance) C4'-P energy: -17.179
bonds (distance) P-C4' energy: -15.302
flat angles C4'-P-C4' energy: -18.710
flat angles P-C4'-P energy: -13.514
tors. eta vs tors. theta energy: -8.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -160.742665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.742665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.742665 (E_RNA)
where:
Base-Base interactions energy: -96.908
where: short stacking energy: -49.651
Base-Backbone interact. energy: -0.037
local terms energy: -63.797911
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -11.083
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -13.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -107.172496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.172496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.172496 (E_RNA)
where:
Base-Base interactions energy: -59.511
where: short stacking energy: -26.828
Base-Backbone interact. energy: -1.408
local terms energy: -46.253802
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -10.359
flat angles P-C4'-P energy: -7.422
tors. eta vs tors. theta energy: 1.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -89.913439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.913439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.913439 (E_RNA)
where:
Base-Base interactions energy: -35.580
where: short stacking energy: -27.613
Base-Backbone interact. energy: -0.308
local terms energy: -54.025118
where:
bonds (distance) C4'-P energy: -10.143
bonds (distance) P-C4' energy: -17.593
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -7.822
tors. eta vs tors. theta energy: -3.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -247.851192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.851192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.851192 (E_RNA)
where:
Base-Base interactions energy: -158.943
where: short stacking energy: -85.725
Base-Backbone interact. energy: -0.216
local terms energy: -88.692430
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -20.455
flat angles P-C4'-P energy: -12.213
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: 2, replica: 8
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -225.096755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.096755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.096755 (E_RNA)
where:
Base-Base interactions energy: -139.087
where: short stacking energy: -77.938
Base-Backbone interact. energy: -0.003
local terms energy: -86.006007
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -13.594
flat angles C4'-P-C4' energy: -19.174
flat angles P-C4'-P energy: -14.504
tors. eta vs tors. theta energy: -24.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -232.722426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.722426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.722426 (E_RNA)
where:
Base-Base interactions energy: -150.233
where: short stacking energy: -71.488
Base-Backbone interact. energy: -0.113
local terms energy: -82.376262
where:
bonds (distance) C4'-P energy: -19.051
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -13.505
tors. eta vs tors. theta energy: -19.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -194.518672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.518672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.518672 (E_RNA)
where:
Base-Base interactions energy: -111.733
where: short stacking energy: -61.104
Base-Backbone interact. energy: 2.566
local terms energy: -85.351956
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -20.878
flat angles P-C4'-P energy: -13.528
tors. eta vs tors. theta energy: -16.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -195.405359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.405359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.405359 (E_RNA)
where:
Base-Base interactions energy: -122.141
where: short stacking energy: -64.758
Base-Backbone interact. energy: -0.010
local terms energy: -73.254479
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -16.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -178.037280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.037280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.037280 (E_RNA)
where:
Base-Base interactions energy: -104.591
where: short stacking energy: -56.090
Base-Backbone interact. energy: -0.092
local terms energy: -73.354914
where:
bonds (distance) C4'-P energy: -17.648
bonds (distance) P-C4' energy: -19.650
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -7.301
tors. eta vs tors. theta energy: -13.186
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: 9
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -172.949678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.949678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.949678 (E_RNA)
where:
Base-Base interactions energy: -114.454
where: short stacking energy: -50.593
Base-Backbone interact. energy: -1.242
local terms energy: -57.253914
where:
bonds (distance) C4'-P energy: -9.064
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -17.411
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -8.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -148.027957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.027957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.027957 (E_RNA)
where:
Base-Base interactions energy: -86.461
where: short stacking energy: -36.062
Base-Backbone interact. energy: -0.536
local terms energy: -61.030522
where:
bonds (distance) C4'-P energy: -10.617
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -5.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -91.876813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.876813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.876813 (E_RNA)
where:
Base-Base interactions energy: -35.216
where: short stacking energy: -35.216
Base-Backbone interact. energy: -0.156
local terms energy: -56.504614
where:
bonds (distance) C4'-P energy: -18.579
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -10.528
flat angles P-C4'-P energy: -10.280
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: 10, replica: 1
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -81.006354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.006354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.006354 (E_RNA)
where:
Base-Base interactions energy: -32.040
where: short stacking energy: -28.969
Base-Backbone interact. energy: -0.199
local terms energy: -48.767533
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -9.423
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: 0.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -247.657944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.657944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.657944 (E_RNA)
where:
Base-Base interactions energy: -159.949
where: short stacking energy: -84.671
Base-Backbone interact. energy: -0.068
local terms energy: -87.640362
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -19.215
flat angles C4'-P-C4' energy: -19.991
flat angles P-C4'-P energy: -12.976
tors. eta vs tors. theta energy: -20.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -224.781020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.781020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.781020 (E_RNA)
where:
Base-Base interactions energy: -139.138
where: short stacking energy: -75.186
Base-Backbone interact. energy: -0.285
local terms energy: -85.357604
where:
bonds (distance) C4'-P energy: -17.084
bonds (distance) P-C4' energy: -19.341
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -21.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -211.702392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.702392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.702392 (E_RNA)
where:
Base-Base interactions energy: -134.589
where: short stacking energy: -71.143
Base-Backbone interact. energy: -0.036
local terms energy: -77.077336
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -17.755
flat angles P-C4'-P energy: -9.231
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: 4, replica: 2
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -222.050950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.050950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.050950 (E_RNA)
where:
Base-Base interactions energy: -142.711
where: short stacking energy: -65.216
Base-Backbone interact. energy: -0.114
local terms energy: -79.226492
where:
bonds (distance) C4'-P energy: -12.986
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -18.788
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: -18.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -193.248294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.248294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.248294 (E_RNA)
where:
Base-Base interactions energy: -121.261
where: short stacking energy: -61.359
Base-Backbone interact. energy: -0.263
local terms energy: -71.724880
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -14.012
flat angles C4'-P-C4' energy: -16.948
flat angles P-C4'-P energy: -11.248
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: 6, replica: 7
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -170.333319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.333319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.333319 (E_RNA)
where:
Base-Base interactions energy: -104.608
where: short stacking energy: -56.923
Base-Backbone interact. energy: -0.107
local terms energy: -65.618727
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: -11.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -152.498501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.498501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.498501 (E_RNA)
where:
Base-Base interactions energy: -93.970
where: short stacking energy: -48.474
Base-Backbone interact. energy: -0.142
local terms energy: -58.387035
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -11.392
flat angles C4'-P-C4' energy: -11.406
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -9.382
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: 8, replica: 9
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -158.305854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.305854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.305854 (E_RNA)
where:
Base-Base interactions energy: -94.988
where: short stacking energy: -57.005
Base-Backbone interact. energy: -0.098
local terms energy: -63.220434
where:
bonds (distance) C4'-P energy: -18.042
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -5.816
tors. eta vs tors. theta energy: -10.595
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: 1
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -94.084571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.084571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.084571 (E_RNA)
where:
Base-Base interactions energy: -42.458
where: short stacking energy: -28.803
Base-Backbone interact. energy: -0.300
local terms energy: -51.326874
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: 0.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -92.261354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.261354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.261354 (E_RNA)
where:
Base-Base interactions energy: -39.803
where: short stacking energy: -35.599
Base-Backbone interact. energy: 0.250
local terms energy: -52.708196
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -0.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -244.646642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.646642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.646642 (E_RNA)
where:
Base-Base interactions energy: -161.830
where: short stacking energy: -71.397
Base-Backbone interact. energy: -0.318
local terms energy: -82.499076
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -14.263
tors. eta vs tors. theta energy: -21.392
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: 5
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -207.780770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.780770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.780770 (E_RNA)
where:
Base-Base interactions energy: -130.313
where: short stacking energy: -67.531
Base-Backbone interact. energy: -0.097
local terms energy: -77.370553
where:
bonds (distance) C4'-P energy: -18.533
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -17.357
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -16.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -207.333239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.333239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.333239 (E_RNA)
where:
Base-Base interactions energy: -123.438
where: short stacking energy: -62.337
Base-Backbone interact. energy: -0.398
local terms energy: -83.497864
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -19.585
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -17.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -220.032612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.032612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.032612 (E_RNA)
where:
Base-Base interactions energy: -139.747
where: short stacking energy: -63.939
Base-Backbone interact. energy: -0.728
local terms energy: -79.556710
where:
bonds (distance) C4'-P energy: -18.128
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -19.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -190.690391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.690391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.690391 (E_RNA)
where:
Base-Base interactions energy: -113.473
where: short stacking energy: -61.789
Base-Backbone interact. energy: -0.019
local terms energy: -77.199337
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -19.129
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -15.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -186.229741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.229741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.229741 (E_RNA)
where:
Base-Base interactions energy: -118.955
where: short stacking energy: -60.209
Base-Backbone interact. energy: -0.106
local terms energy: -67.168775
where:
bonds (distance) C4'-P energy: -19.502
bonds (distance) P-C4' energy: -9.724
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -14.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -185.523854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.523854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.523854 (E_RNA)
where:
Base-Base interactions energy: -113.635
where: short stacking energy: -55.051
Base-Backbone interact. energy: 0.131
local terms energy: -72.020340
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -13.433
tors. eta vs tors. theta energy: -11.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -150.741141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.741141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.741141 (E_RNA)
where:
Base-Base interactions energy: -89.941
where: short stacking energy: -49.561
Base-Backbone interact. energy: -0.054
local terms energy: -60.746409
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -4.659
tors. eta vs tors. theta energy: -6.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -94.902514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.902514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.902514 (E_RNA)
where:
Base-Base interactions energy: -37.872
where: short stacking energy: -29.388
Base-Backbone interact. energy: -0.074
local terms energy: -56.956063
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -17.780
flat angles C4'-P-C4' energy: -6.509
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -3.927
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: 305
Temperature: 1.350000
Total energy: -88.106164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.106164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.106164 (E_RNA)
where:
Base-Base interactions energy: -24.750
where: short stacking energy: -24.750
Base-Backbone interact. energy: 0.412
local terms energy: -63.767776
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -6.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -240.220116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.220116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.220116 (E_RNA)
where:
Base-Base interactions energy: -155.732
where: short stacking energy: -80.347
Base-Backbone interact. energy: -0.405
local terms energy: -84.083809
where:
bonds (distance) C4'-P energy: -18.867
bonds (distance) P-C4' energy: -19.950
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -7.299
tors. eta vs tors. theta energy: -23.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -212.796175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.796175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.796175 (E_RNA)
where:
Base-Base interactions energy: -130.783
where: short stacking energy: -63.497
Base-Backbone interact. energy: 0.764
local terms energy: -82.777240
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -18.277
flat angles C4'-P-C4' energy: -19.847
flat angles P-C4'-P energy: -9.414
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: 3, replica: 8
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -206.429532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.429532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.429532 (E_RNA)
where:
Base-Base interactions energy: -136.372
where: short stacking energy: -72.291
Base-Backbone interact. energy: -0.039
local terms energy: -70.018273
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -17.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -209.044233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.044233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.044233 (E_RNA)
where:
Base-Base interactions energy: -121.909
where: short stacking energy: -72.466
Base-Backbone interact. energy: -0.303
local terms energy: -86.832152
where:
bonds (distance) C4'-P energy: -10.213
bonds (distance) P-C4' energy: -18.582
flat angles C4'-P-C4' energy: -20.275
flat angles P-C4'-P energy: -15.002
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: 5, replica: 3
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -185.811592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.811592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.811592 (E_RNA)
where:
Base-Base interactions energy: -117.152
where: short stacking energy: -53.103
Base-Backbone interact. energy: -0.322
local terms energy: -68.338350
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -12.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -201.932819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.932819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.932819 (E_RNA)
where:
Base-Base interactions energy: -118.397
where: short stacking energy: -64.266
Base-Backbone interact. energy: -0.004
local terms energy: -83.531781
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: -22.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -176.330044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.330044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.330044 (E_RNA)
where:
Base-Base interactions energy: -101.302
where: short stacking energy: -49.322
Base-Backbone interact. energy: -0.064
local terms energy: -74.964055
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: -16.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -167.124906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.124906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.124906 (E_RNA)
where:
Base-Base interactions energy: -106.567
where: short stacking energy: -57.947
Base-Backbone interact. energy: -0.340
local terms energy: -60.217997
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -6.894
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: -15.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -95.968662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.968662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.968662 (E_RNA)
where:
Base-Base interactions energy: -39.005
where: short stacking energy: -30.498
Base-Backbone interact. energy: 0.271
local terms energy: -57.233993
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -9.208
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: 10, replica: 1
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -82.524456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.524456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.524456 (E_RNA)
where:
Base-Base interactions energy: -36.147
where: short stacking energy: -28.893
Base-Backbone interact. energy: 1.873
local terms energy: -48.250535
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -12.249
flat angles C4'-P-C4' energy: -11.530
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: 0.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -243.483070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.483070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.483070 (E_RNA)
where:
Base-Base interactions energy: -157.640
where: short stacking energy: -71.067
Base-Backbone interact. energy: 0.894
local terms energy: -86.737429
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -19.380
flat angles C4'-P-C4' energy: -19.069
flat angles P-C4'-P energy: -12.742
tors. eta vs tors. theta energy: -22.181
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: 8
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -220.790588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.790588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.790588 (E_RNA)
where:
Base-Base interactions energy: -145.784
where: short stacking energy: -66.590
Base-Backbone interact. energy: -0.261
local terms energy: -74.745054
where:
bonds (distance) C4'-P energy: -15.913
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -18.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -206.591736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.591736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.591736 (E_RNA)
where:
Base-Base interactions energy: -127.782
where: short stacking energy: -74.095
Base-Backbone interact. energy: 0.121
local terms energy: -78.930760
where:
bonds (distance) C4'-P energy: -15.379
bonds (distance) P-C4' energy: -17.174
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -19.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -204.911987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.911987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.911987 (E_RNA)
where:
Base-Base interactions energy: -125.094
where: short stacking energy: -74.637
Base-Backbone interact. energy: -0.754
local terms energy: -79.063988
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -17.193
flat angles P-C4'-P energy: -14.919
tors. eta vs tors. theta energy: -13.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -177.772118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.772118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.772118 (E_RNA)
where:
Base-Base interactions energy: -106.582
where: short stacking energy: -53.895
Base-Backbone interact. energy: -0.240
local terms energy: -70.950871
where:
bonds (distance) C4'-P energy: -18.495
bonds (distance) P-C4' energy: -13.745
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -13.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -184.609164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.609164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.609164 (E_RNA)
where:
Base-Base interactions energy: -115.151
where: short stacking energy: -55.883
Base-Backbone interact. energy: -0.421
local terms energy: -69.037216
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -11.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -166.521229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.521229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.521229 (E_RNA)
where:
Base-Base interactions energy: -102.487
where: short stacking energy: -60.882
Base-Backbone interact. energy: -0.010
local terms energy: -64.024605
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -11.340
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -8.349
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: 8, replica: 7
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -165.765543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.765543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.765543 (E_RNA)
where:
Base-Base interactions energy: -105.348
where: short stacking energy: -38.983
Base-Backbone interact. energy: -0.049
local terms energy: -60.368284
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -10.042
flat angles P-C4'-P energy: -11.690
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: 9, replica: 10
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -90.424612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.424612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.424612 (E_RNA)
where:
Base-Base interactions energy: -32.433
where: short stacking energy: -32.433
Base-Backbone interact. energy: -0.094
local terms energy: -57.897006
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -7.698
tors. eta vs tors. theta energy: -6.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -108.611255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.611255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.611255 (E_RNA)
where:
Base-Base interactions energy: -49.082
where: short stacking energy: -37.072
Base-Backbone interact. energy: -0.165
local terms energy: -59.363924
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -15.111
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -2.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -244.592704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.592704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.592704 (E_RNA)
where:
Base-Base interactions energy: -148.841
where: short stacking energy: -72.254
Base-Backbone interact. energy: -0.634
local terms energy: -95.117776
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -21.356
flat angles C4'-P-C4' energy: -18.466
flat angles P-C4'-P energy: -14.223
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: 8
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -219.926112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.926112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.926112 (E_RNA)
where:
Base-Base interactions energy: -146.481
where: short stacking energy: -71.085
Base-Backbone interact. energy: -0.166
local terms energy: -73.279265
where:
bonds (distance) C4'-P energy: -10.991
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -18.443
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -16.596
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: 2
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -237.155798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.155798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.155798 (E_RNA)
where:
Base-Base interactions energy: -154.040
where: short stacking energy: -75.730
Base-Backbone interact. energy: -0.054
local terms energy: -83.062372
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -19.197
flat angles C4'-P-C4' energy: -18.013
flat angles P-C4'-P energy: -12.787
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: 4, replica: 5
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -209.942139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.942139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.942139 (E_RNA)
where:
Base-Base interactions energy: -132.148
where: short stacking energy: -70.632
Base-Backbone interact. energy: -0.010
local terms energy: -77.783804
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -18.555
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -10.394
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: 5, replica: 3
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -179.084415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.084415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.084415 (E_RNA)
where:
Base-Base interactions energy: -107.246
where: short stacking energy: -53.580
Base-Backbone interact. energy: 0.830
local terms energy: -72.668601
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -12.442
flat angles C4'-P-C4' energy: -19.576
flat angles P-C4'-P energy: -12.731
tors. eta vs tors. theta energy: -11.480
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: 4
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -177.933530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.933530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.933530 (E_RNA)
where:
Base-Base interactions energy: -115.419
where: short stacking energy: -55.921
Base-Backbone interact. energy: -0.108
local terms energy: -62.406061
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -11.548
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -11.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -190.114754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.114754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.114754 (E_RNA)
where:
Base-Base interactions energy: -120.125
where: short stacking energy: -64.223
Base-Backbone interact. energy: -0.035
local terms energy: -69.954610
where:
bonds (distance) C4'-P energy: -16.422
bonds (distance) P-C4' energy: -17.801
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -7.845
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: 8, replica: 9
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -177.690626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.690626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.690626 (E_RNA)
where:
Base-Base interactions energy: -113.966
where: short stacking energy: -55.700
Base-Backbone interact. energy: 2.686
local terms energy: -66.411172
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -18.506
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: -11.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -106.359338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.359338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.359338 (E_RNA)
where:
Base-Base interactions energy: -51.312
where: short stacking energy: -25.752
Base-Backbone interact. energy: 0.191
local terms energy: -55.238778
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -5.143
tors. eta vs tors. theta energy: -1.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -94.740259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.740259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.740259 (E_RNA)
where:
Base-Base interactions energy: -38.817
where: short stacking energy: -38.817
Base-Backbone interact. energy: -0.135
local terms energy: -55.788311
where:
bonds (distance) C4'-P energy: -11.154
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -7.232
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -10.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -239.913580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.913580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.913580 (E_RNA)
where:
Base-Base interactions energy: -151.825
where: short stacking energy: -71.225
Base-Backbone interact. energy: -0.592
local terms energy: -87.496161
where:
bonds (distance) C4'-P energy: -16.120
bonds (distance) P-C4' energy: -19.711
flat angles C4'-P-C4' energy: -19.815
flat angles P-C4'-P energy: -10.212
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: 2, replica: 2
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -237.118594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.118594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.118594 (E_RNA)
where:
Base-Base interactions energy: -159.139
where: short stacking energy: -77.553
Base-Backbone interact. energy: -0.138
local terms energy: -77.841382
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -19.162
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: -18.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -234.360578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.360578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.360578 (E_RNA)
where:
Base-Base interactions energy: -144.803
where: short stacking energy: -85.427
Base-Backbone interact. energy: 1.368
local terms energy: -90.926423
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -17.666
flat angles C4'-P-C4' energy: -17.292
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -24.863
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: 4, replica: 5
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -195.755698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.755698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.755698 (E_RNA)
where:
Base-Base interactions energy: -121.334
where: short stacking energy: -67.541
Base-Backbone interact. energy: 0.397
local terms energy: -74.818598
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -17.705
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -12.775
tors. eta vs tors. theta energy: -14.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -202.041106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.041106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.041106 (E_RNA)
where:
Base-Base interactions energy: -126.171
where: short stacking energy: -66.988
Base-Backbone interact. energy: -0.235
local terms energy: -75.635256
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -17.721
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: -15.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -182.853193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.853193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.853193 (E_RNA)
where:
Base-Base interactions energy: -111.850
where: short stacking energy: -56.106
Base-Backbone interact. energy: -0.074
local terms energy: -70.929212
where:
bonds (distance) C4'-P energy: -13.707
bonds (distance) P-C4' energy: -17.300
flat angles C4'-P-C4' energy: -18.106
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -10.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -176.394236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.394236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.394236 (E_RNA)
where:
Base-Base interactions energy: -107.979
where: short stacking energy: -50.692
Base-Backbone interact. energy: -0.069
local terms energy: -68.347062
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -10.770
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -10.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -178.879338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.879338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.879338 (E_RNA)
where:
Base-Base interactions energy: -101.017
where: short stacking energy: -50.737
Base-Backbone interact. energy: -0.030
local terms energy: -77.831985
where:
bonds (distance) C4'-P energy: -18.360
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -16.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -85.660898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.660898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.660898 (E_RNA)
where:
Base-Base interactions energy: -30.286
where: short stacking energy: -27.719
Base-Backbone interact. energy: -0.951
local terms energy: -54.423918
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -1.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -96.376991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.376991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.376991 (E_RNA)
where:
Base-Base interactions energy: -35.711
where: short stacking energy: -33.340
Base-Backbone interact. energy: 0.110
local terms energy: -60.775097
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -7.684
tors. eta vs tors. theta energy: -6.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -235.345627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.345627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.345627 (E_RNA)
where:
Base-Base interactions energy: -150.426
where: short stacking energy: -76.608
Base-Backbone interact. energy: -0.091
local terms energy: -84.828959
where:
bonds (distance) C4'-P energy: -18.235
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -18.034
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -18.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -240.789918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.789918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.789918 (E_RNA)
where:
Base-Base interactions energy: -158.387
where: short stacking energy: -64.575
Base-Backbone interact. energy: -0.046
local terms energy: -82.356773
where:
bonds (distance) C4'-P energy: -14.717
bonds (distance) P-C4' energy: -20.281
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -13.399
tors. eta vs tors. theta energy: -16.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -212.114963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.114963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.114963 (E_RNA)
where:
Base-Base interactions energy: -129.448
where: short stacking energy: -70.253
Base-Backbone interact. energy: -0.046
local terms energy: -82.620467
where:
bonds (distance) C4'-P energy: -18.437
bonds (distance) P-C4' energy: -19.414
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -18.082
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: 8
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -206.057535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.057535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.057535 (E_RNA)
where:
Base-Base interactions energy: -119.802
where: short stacking energy: -66.539
Base-Backbone interact. energy: -0.003
local terms energy: -86.252570
where:
bonds (distance) C4'-P energy: -15.848
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -17.435
flat angles P-C4'-P energy: -15.052
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: 5, replica: 3
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -191.448854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.448854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.448854 (E_RNA)
where:
Base-Base interactions energy: -120.516
where: short stacking energy: -56.890
Base-Backbone interact. energy: -0.019
local terms energy: -70.914163
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: -17.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -181.434094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.434094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.434094 (E_RNA)
where:
Base-Base interactions energy: -107.476
where: short stacking energy: -50.588
Base-Backbone interact. energy: -0.002
local terms energy: -73.956764
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -17.676
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -11.802
tors. eta vs tors. theta energy: -15.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -175.029271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.029271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.029271 (E_RNA)
where:
Base-Base interactions energy: -98.051
where: short stacking energy: -53.713
Base-Backbone interact. energy: 0.011
local terms energy: -76.989727
where:
bonds (distance) C4'-P energy: -18.516
bonds (distance) P-C4' energy: -17.592
flat angles C4'-P-C4' energy: -20.129
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -8.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -147.523310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.523310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.523310 (E_RNA)
where:
Base-Base interactions energy: -80.932
where: short stacking energy: -44.015
Base-Backbone interact. energy: -0.124
local terms energy: -66.467427
where:
bonds (distance) C4'-P energy: -8.622
bonds (distance) P-C4' energy: -17.233
flat angles C4'-P-C4' energy: -18.240
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -9.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -104.077945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.077945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.077945 (E_RNA)
where:
Base-Base interactions energy: -38.900
where: short stacking energy: -27.970
Base-Backbone interact. energy: 1.533
local terms energy: -66.710488
where:
bonds (distance) C4'-P energy: -18.392
bonds (distance) P-C4' energy: -19.325
flat angles C4'-P-C4' energy: -11.541
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: -6.100
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: 1
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -86.945956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.945956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.945956 (E_RNA)
where:
Base-Base interactions energy: -29.004
where: short stacking energy: -29.004
Base-Backbone interact. energy: -0.332
local terms energy: -57.609251
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -11.838
flat angles P-C4'-P energy: -12.172
tors. eta vs tors. theta energy: -3.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -234.790265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.790265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.790265 (E_RNA)
where:
Base-Base interactions energy: -151.517
where: short stacking energy: -72.002
Base-Backbone interact. energy: -0.055
local terms energy: -83.218331
where:
bonds (distance) C4'-P energy: -17.998
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -16.594
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -18.824
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: 6
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -234.386893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.386893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.386893 (E_RNA)
where:
Base-Base interactions energy: -147.617
where: short stacking energy: -75.437
Base-Backbone interact. energy: -0.331
local terms energy: -86.438954
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -20.190
flat angles C4'-P-C4' energy: -19.639
flat angles P-C4'-P energy: -13.042
tors. eta vs tors. theta energy: -17.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -223.434274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.434274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.434274 (E_RNA)
where:
Base-Base interactions energy: -139.942
where: short stacking energy: -69.969
Base-Backbone interact. energy: -0.089
local terms energy: -83.402546
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -18.635
flat angles C4'-P-C4' energy: -17.427
flat angles P-C4'-P energy: -14.416
tors. eta vs tors. theta energy: -16.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -223.681358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.681358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.681358 (E_RNA)
where:
Base-Base interactions energy: -139.377
where: short stacking energy: -77.574
Base-Backbone interact. energy: -0.100
local terms energy: -84.204523
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -13.833
tors. eta vs tors. theta energy: -23.300
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: 5, replica: 8
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -204.047104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.047104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.047104 (E_RNA)
where:
Base-Base interactions energy: -135.978
where: short stacking energy: -62.075
Base-Backbone interact. energy: 0.127
local terms energy: -68.195985
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -10.022
tors. eta vs tors. theta energy: -11.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -174.197807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.197807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.197807 (E_RNA)
where:
Base-Base interactions energy: -108.574
where: short stacking energy: -46.961
Base-Backbone interact. energy: 0.058
local terms energy: -65.682627
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -7.763
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: 4
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -161.667468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.667468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.667468 (E_RNA)
where:
Base-Base interactions energy: -105.478
where: short stacking energy: -55.220
Base-Backbone interact. energy: 0.131
local terms energy: -56.320616
where:
bonds (distance) C4'-P energy: -9.632
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -5.523
tors. eta vs tors. theta energy: -11.130
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: 9
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -167.797593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.797593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.797593 (E_RNA)
where:
Base-Base interactions energy: -96.642
where: short stacking energy: -47.311
Base-Backbone interact. energy: -0.195
local terms energy: -70.960394
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -11.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -147.330693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.330693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.330693 (E_RNA)
where:
Base-Base interactions energy: -86.259
where: short stacking energy: -43.080
Base-Backbone interact. energy: -0.532
local terms energy: -60.539588
where:
bonds (distance) C4'-P energy: -16.525
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -17.491
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: 0.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -86.388939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.388939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.388939 (E_RNA)
where:
Base-Base interactions energy: -31.127
where: short stacking energy: -31.127
Base-Backbone interact. energy: 0.915
local terms energy: -56.176748
where:
bonds (distance) C4'-P energy: -9.811
bonds (distance) P-C4' energy: -14.030
flat angles C4'-P-C4' energy: -9.927
flat angles P-C4'-P energy: -14.129
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: 6
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -244.862720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.862720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.862720 (E_RNA)
where:
Base-Base interactions energy: -163.295
where: short stacking energy: -79.699
Base-Backbone interact. energy: -0.657
local terms energy: -80.910998
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -19.854
flat angles P-C4'-P energy: -7.911
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: 2, replica: 2
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -231.746277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.746277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.746277 (E_RNA)
where:
Base-Base interactions energy: -150.431
where: short stacking energy: -71.773
Base-Backbone interact. energy: 0.738
local terms energy: -82.053788
where:
bonds (distance) C4'-P energy: -18.959
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -18.859
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -18.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -206.790004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.790004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.790004 (E_RNA)
where:
Base-Base interactions energy: -121.204
where: short stacking energy: -74.249
Base-Backbone interact. energy: -0.122
local terms energy: -85.463495
where:
bonds (distance) C4'-P energy: -15.795
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -18.009
flat angles P-C4'-P energy: -13.351
tors. eta vs tors. theta energy: -20.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -210.404904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.404904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.404904 (E_RNA)
where:
Base-Base interactions energy: -128.464
where: short stacking energy: -69.471
Base-Backbone interact. energy: -0.008
local terms energy: -81.932326
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -18.488
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -18.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -206.611988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.611988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.611988 (E_RNA)
where:
Base-Base interactions energy: -131.937
where: short stacking energy: -61.561
Base-Backbone interact. energy: -0.744
local terms energy: -73.930434
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -16.913
flat angles C4'-P-C4' energy: -20.156
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -12.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -183.175545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.175545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.175545 (E_RNA)
where:
Base-Base interactions energy: -119.918
where: short stacking energy: -62.313
Base-Backbone interact. energy: -0.120
local terms energy: -63.136823
where:
bonds (distance) C4'-P energy: -14.932
bonds (distance) P-C4' energy: -7.969
flat angles C4'-P-C4' energy: -18.299
flat angles P-C4'-P energy: -10.064
tors. eta vs tors. theta energy: -11.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -169.124007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.124007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.124007 (E_RNA)
where:
Base-Base interactions energy: -103.129
where: short stacking energy: -55.380
Base-Backbone interact. energy: -0.029
local terms energy: -65.966735
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -5.816
tors. eta vs tors. theta energy: -16.860
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: 4
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -137.976615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.976615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.976615 (E_RNA)
where:
Base-Base interactions energy: -83.237
where: short stacking energy: -42.273
Base-Backbone interact. energy: -0.111
local terms energy: -54.628159
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -19.123
flat angles C4'-P-C4' energy: -11.351
flat angles P-C4'-P energy: -5.827
tors. eta vs tors. theta energy: -5.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -154.938553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.938553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.938553 (E_RNA)
where:
Base-Base interactions energy: -91.565
where: short stacking energy: -48.245
Base-Backbone interact. energy: -0.111
local terms energy: -63.262724
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -9.682
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: 1
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -89.873641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.873641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.873641 (E_RNA)
where:
Base-Base interactions energy: -26.438
where: short stacking energy: -14.777
Base-Backbone interact. energy: -0.674
local terms energy: -62.761746
where:
bonds (distance) C4'-P energy: -10.883
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -15.858
flat angles P-C4'-P energy: -13.549
tors. eta vs tors. theta energy: -5.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -230.263782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.263782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.263782 (E_RNA)
where:
Base-Base interactions energy: -154.636
where: short stacking energy: -73.491
Base-Backbone interact. energy: -0.094
local terms energy: -75.534041
where:
bonds (distance) C4'-P energy: -16.409
bonds (distance) P-C4' energy: -13.900
flat angles C4'-P-C4' energy: -14.379
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: -18.328
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: 2
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -231.880200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.880200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.880200 (E_RNA)
where:
Base-Base interactions energy: -152.283
where: short stacking energy: -75.956
Base-Backbone interact. energy: -0.653
local terms energy: -78.943469
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -19.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -210.759569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.759569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.759569 (E_RNA)
where:
Base-Base interactions energy: -120.733
where: short stacking energy: -69.526
Base-Backbone interact. energy: -0.001
local terms energy: -90.025505
where:
bonds (distance) C4'-P energy: -18.147
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -19.877
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -22.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -213.668046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.668046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.668046 (E_RNA)
where:
Base-Base interactions energy: -127.667
where: short stacking energy: -71.948
Base-Backbone interact. energy: -0.138
local terms energy: -85.862983
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -18.021
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -15.049
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: 3
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -185.495261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.495261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.495261 (E_RNA)
where:
Base-Base interactions energy: -109.030
where: short stacking energy: -55.865
Base-Backbone interact. energy: -0.070
local terms energy: -76.395098
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -19.147
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -12.247
tors. eta vs tors. theta energy: -16.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -182.968960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.968960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.968960 (E_RNA)
where:
Base-Base interactions energy: -113.839
where: short stacking energy: -61.088
Base-Backbone interact. energy: 3.074
local terms energy: -72.204708
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -17.070
flat angles P-C4'-P energy: -12.414
tors. eta vs tors. theta energy: -13.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -166.278348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.278348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.278348 (E_RNA)
where:
Base-Base interactions energy: -93.829
where: short stacking energy: -39.281
Base-Backbone interact. energy: -0.061
local terms energy: -72.387874
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -18.240
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -11.550
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: 313
Temperature: 1.250000
Total energy: -124.134481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.134481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.134481 (E_RNA)
where:
Base-Base interactions energy: -69.745
where: short stacking energy: -34.636
Base-Backbone interact. energy: -0.304
local terms energy: -54.085599
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -10.846
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -3.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -111.897430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.897430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.897430 (E_RNA)
where:
Base-Base interactions energy: -54.641
where: short stacking energy: -37.707
Base-Backbone interact. energy: -0.480
local terms energy: -56.777057
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -9.923
flat angles P-C4'-P energy: -7.705
tors. eta vs tors. theta energy: -7.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -79.603597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.603597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.603597 (E_RNA)
where:
Base-Base interactions energy: -27.840
where: short stacking energy: -17.765
Base-Backbone interact. energy: -0.362
local terms energy: -51.402107
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -17.192
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -9.664
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: 1, replica: 6
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -250.314831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.314831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.314831 (E_RNA)
where:
Base-Base interactions energy: -165.202
where: short stacking energy: -77.269
Base-Backbone interact. energy: -0.817
local terms energy: -84.295907
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -14.528
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: 2, replica: 2
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -224.328533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.328533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.328533 (E_RNA)
where:
Base-Base interactions energy: -150.029
where: short stacking energy: -68.075
Base-Backbone interact. energy: -0.050
local terms energy: -74.249103
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -17.876
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: -18.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -204.415525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.415525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.415525 (E_RNA)
where:
Base-Base interactions energy: -129.292
where: short stacking energy: -68.573
Base-Backbone interact. energy: -0.120
local terms energy: -75.003569
where:
bonds (distance) C4'-P energy: -15.948
bonds (distance) P-C4' energy: -13.174
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -16.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -181.338776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.338776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.338776 (E_RNA)
where:
Base-Base interactions energy: -101.225
where: short stacking energy: -54.266
Base-Backbone interact. energy: -0.066
local terms energy: -80.048231
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -19.307
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -16.832
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: 3
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -182.606759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.606759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.606759 (E_RNA)
where:
Base-Base interactions energy: -105.294
where: short stacking energy: -52.812
Base-Backbone interact. energy: 0.061
local terms energy: -77.374351
where:
bonds (distance) C4'-P energy: -19.224
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -13.580
tors. eta vs tors. theta energy: -11.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -177.601687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.601687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.601687 (E_RNA)
where:
Base-Base interactions energy: -105.540
where: short stacking energy: -59.966
Base-Backbone interact. energy: -0.293
local terms energy: -71.768850
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -20.339
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -12.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -175.722775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.722775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.722775 (E_RNA)
where:
Base-Base interactions energy: -108.032
where: short stacking energy: -45.752
Base-Backbone interact. energy: -0.164
local terms energy: -67.526916
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -13.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -95.317675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.317675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.317675 (E_RNA)
where:
Base-Base interactions energy: -50.240
where: short stacking energy: -36.446
Base-Backbone interact. energy: -0.272
local terms energy: -44.805266
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -11.363
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -6.464
tors. eta vs tors. theta energy: -0.554
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: 4
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -91.988108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.988108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.988108 (E_RNA)
where:
Base-Base interactions energy: -30.764
where: short stacking energy: -28.109
Base-Backbone interact. energy: -0.075
local terms energy: -61.149044
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -16.311
flat angles P-C4'-P energy: -6.850
tors. eta vs tors. theta energy: -11.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -88.077882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.077882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.077882 (E_RNA)
where:
Base-Base interactions energy: -29.242
where: short stacking energy: -29.242
Base-Backbone interact. energy: -0.044
local terms energy: -58.791671
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -14.947
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -11.004
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: 1, replica: 6
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -248.416920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.416920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.416920 (E_RNA)
where:
Base-Base interactions energy: -161.796
where: short stacking energy: -78.062
Base-Backbone interact. energy: -0.320
local terms energy: -86.301757
where:
bonds (distance) C4'-P energy: -18.615
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -11.763
tors. eta vs tors. theta energy: -21.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -216.712865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.712865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.712865 (E_RNA)
where:
Base-Base interactions energy: -140.302
where: short stacking energy: -72.772
Base-Backbone interact. energy: -0.034
local terms energy: -76.377288
where:
bonds (distance) C4'-P energy: -16.567
bonds (distance) P-C4' energy: -14.897
flat angles C4'-P-C4' energy: -18.316
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -18.339
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: 3, replica: 2
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -213.075556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.075556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.075556 (E_RNA)
where:
Base-Base interactions energy: -144.710
where: short stacking energy: -64.994
Base-Backbone interact. energy: -0.110
local terms energy: -68.256199
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -17.007
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -15.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -195.495887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.495887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.495887 (E_RNA)
where:
Base-Base interactions energy: -119.246
where: short stacking energy: -60.341
Base-Backbone interact. energy: -0.065
local terms energy: -76.184540
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -17.217
flat angles C4'-P-C4' energy: -17.143
flat angles P-C4'-P energy: -10.371
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: 5, replica: 3
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -197.147941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.147941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.147941 (E_RNA)
where:
Base-Base interactions energy: -121.420
where: short stacking energy: -58.867
Base-Backbone interact. energy: -0.009
local terms energy: -75.718192
where:
bonds (distance) C4'-P energy: -16.718
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -17.390
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: 9
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -169.022315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.022315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.022315 (E_RNA)
where:
Base-Base interactions energy: -101.761
where: short stacking energy: -54.461
Base-Backbone interact. energy: -1.088
local terms energy: -66.174022
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -3.409
tors. eta vs tors. theta energy: -16.186
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: 7
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -174.150135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.150135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.150135 (E_RNA)
where:
Base-Base interactions energy: -103.818
where: short stacking energy: -57.839
Base-Backbone interact. energy: -0.605
local terms energy: -69.727127
where:
bonds (distance) C4'-P energy: -14.916
bonds (distance) P-C4' energy: -20.208
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -12.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -138.382332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.382332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.382332 (E_RNA)
where:
Base-Base interactions energy: -78.101
where: short stacking energy: -40.462
Base-Backbone interact. energy: -0.165
local terms energy: -60.116190
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -14.298
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -5.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -96.160709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.160709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.160709 (E_RNA)
where:
Base-Base interactions energy: -40.305
where: short stacking energy: -36.079
Base-Backbone interact. energy: -0.135
local terms energy: -55.721250
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -8.671
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: -4.926
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: 1
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -90.328582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.328582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.328582 (E_RNA)
where:
Base-Base interactions energy: -40.698
where: short stacking energy: -36.318
Base-Backbone interact. energy: -0.115
local terms energy: -49.515606
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -4.266
tors. eta vs tors. theta energy: -1.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -223.902918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.902918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.902918 (E_RNA)
where:
Base-Base interactions energy: -145.485
where: short stacking energy: -64.790
Base-Backbone interact. energy: -0.143
local terms energy: -78.275038
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -17.955
flat angles C4'-P-C4' energy: -18.116
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -14.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -239.233513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.233513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.233513 (E_RNA)
where:
Base-Base interactions energy: -154.570
where: short stacking energy: -63.073
Base-Backbone interact. energy: -0.699
local terms energy: -83.963861
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -18.870
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -23.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -217.050438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.050438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.050438 (E_RNA)
where:
Base-Base interactions energy: -144.753
where: short stacking energy: -62.652
Base-Backbone interact. energy: -0.149
local terms energy: -72.148576
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -18.383
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -14.682
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: 316
Temperature: 1.050000
Total energy: -204.841464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.841464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.841464 (E_RNA)
where:
Base-Base interactions energy: -123.521
where: short stacking energy: -65.418
Base-Backbone interact. energy: -0.274
local terms energy: -81.046670
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -17.153
flat angles P-C4'-P energy: -10.765
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: 5, replica: 3
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -200.363602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.363602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.363602 (E_RNA)
where:
Base-Base interactions energy: -119.719
where: short stacking energy: -62.215
Base-Backbone interact. energy: -0.111
local terms energy: -80.533112
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -18.584
flat angles C4'-P-C4' energy: -19.183
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -16.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -177.750636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.750636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.750636 (E_RNA)
where:
Base-Base interactions energy: -108.363
where: short stacking energy: -52.331
Base-Backbone interact. energy: -0.640
local terms energy: -68.747886
where:
bonds (distance) C4'-P energy: -17.179
bonds (distance) P-C4' energy: -17.933
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: -12.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -160.529672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.529672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.529672 (E_RNA)
where:
Base-Base interactions energy: -90.286
where: short stacking energy: -51.198
Base-Backbone interact. energy: -0.080
local terms energy: -70.163852
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -14.208
tors. eta vs tors. theta energy: -12.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -171.612999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.612999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.612999 (E_RNA)
where:
Base-Base interactions energy: -111.619
where: short stacking energy: -47.760
Base-Backbone interact. energy: -0.811
local terms energy: -59.182488
where:
bonds (distance) C4'-P energy: -16.882
bonds (distance) P-C4' energy: -12.760
flat angles C4'-P-C4' energy: -10.105
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -7.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -99.764259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.764259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.764259 (E_RNA)
where:
Base-Base interactions energy: -33.637
where: short stacking energy: -29.745
Base-Backbone interact. energy: -0.036
local terms energy: -66.091306
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -17.991
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: -7.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -86.072198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.072198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.072198 (E_RNA)
where:
Base-Base interactions energy: -31.528
where: short stacking energy: -31.528
Base-Backbone interact. energy: 0.012
local terms energy: -54.556000
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -12.665
flat angles P-C4'-P energy: -6.530
tors. eta vs tors. theta energy: -0.525
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: 8
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -235.861068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.861068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.861068 (E_RNA)
where:
Base-Base interactions energy: -144.506
where: short stacking energy: -74.168
Base-Backbone interact. energy: -0.102
local terms energy: -91.252621
where:
bonds (distance) C4'-P energy: -20.764
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -20.614
flat angles P-C4'-P energy: -12.640
tors. eta vs tors. theta energy: -17.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -235.105356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.105356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.105356 (E_RNA)
where:
Base-Base interactions energy: -155.181
where: short stacking energy: -67.266
Base-Backbone interact. energy: -0.428
local terms energy: -79.496657
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -19.544
flat angles P-C4'-P energy: -14.912
tors. eta vs tors. theta energy: -17.807
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: 3, replica: 2
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -219.282491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.282491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.282491 (E_RNA)
where:
Base-Base interactions energy: -142.263
where: short stacking energy: -71.443
Base-Backbone interact. energy: -0.079
local terms energy: -76.939792
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -15.443
flat angles C4'-P-C4' energy: -17.166
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -19.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -196.276424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.276424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.276424 (E_RNA)
where:
Base-Base interactions energy: -120.390
where: short stacking energy: -61.804
Base-Backbone interact. energy: -0.547
local terms energy: -75.339796
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: -13.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -189.927221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.927221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.927221 (E_RNA)
where:
Base-Base interactions energy: -120.846
where: short stacking energy: -45.111
Base-Backbone interact. energy: -0.113
local terms energy: -68.968411
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -17.859
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -12.875
tors. eta vs tors. theta energy: -7.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -156.407554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.407554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.407554 (E_RNA)
where:
Base-Base interactions energy: -88.827
where: short stacking energy: -48.583
Base-Backbone interact. energy: -1.092
local terms energy: -66.488914
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -5.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -180.955759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.955759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.955759 (E_RNA)
where:
Base-Base interactions energy: -113.717
where: short stacking energy: -55.354
Base-Backbone interact. energy: -0.043
local terms energy: -67.196091
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -3.733
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: 8, replica: 7
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -166.742283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.742283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.742283 (E_RNA)
where:
Base-Base interactions energy: -96.128
where: short stacking energy: -53.016
Base-Backbone interact. energy: -0.001
local terms energy: -70.613791
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -18.259
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: -14.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -88.643724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.643724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.643724 (E_RNA)
where:
Base-Base interactions energy: -30.484
where: short stacking energy: -29.904
Base-Backbone interact. energy: -0.090
local terms energy: -58.069697
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -18.664
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -8.159
tors. eta vs tors. theta energy: -1.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -84.218137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.218137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.218137 (E_RNA)
where:
Base-Base interactions energy: -32.270
where: short stacking energy: -24.857
Base-Backbone interact. energy: -0.012
local terms energy: -51.936229
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -8.228
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: 1, replica: 6
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -244.764652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.764652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.764652 (E_RNA)
where:
Base-Base interactions energy: -154.209
where: short stacking energy: -74.958
Base-Backbone interact. energy: -0.461
local terms energy: -90.094614
where:
bonds (distance) C4'-P energy: -20.444
bonds (distance) P-C4' energy: -18.248
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -15.287
tors. eta vs tors. theta energy: -21.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -223.517224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.517224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.517224 (E_RNA)
where:
Base-Base interactions energy: -150.997
where: short stacking energy: -71.384
Base-Backbone interact. energy: -0.105
local terms energy: -72.415294
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -13.024
flat angles C4'-P-C4' energy: -17.056
flat angles P-C4'-P energy: -5.730
tors. eta vs tors. theta energy: -20.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -222.903683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.903683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.903683 (E_RNA)
where:
Base-Base interactions energy: -143.717
where: short stacking energy: -66.263
Base-Backbone interact. energy: -0.422
local terms energy: -78.764216
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -18.156
flat angles C4'-P-C4' energy: -18.139
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -16.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -186.898304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.898304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.898304 (E_RNA)
where:
Base-Base interactions energy: -108.956
where: short stacking energy: -53.561
Base-Backbone interact. energy: -0.951
local terms energy: -76.991646
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -18.244
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -15.177
tors. eta vs tors. theta energy: -11.897
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: 5
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -201.219188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.219188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.219188 (E_RNA)
where:
Base-Base interactions energy: -132.298
where: short stacking energy: -56.902
Base-Backbone interact. energy: -0.379
local terms energy: -68.542568
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -19.108
flat angles P-C4'-P energy: -8.308
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: 6, replica: 4
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -151.426725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.426725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.426725 (E_RNA)
where:
Base-Base interactions energy: -82.217
where: short stacking energy: -46.358
Base-Backbone interact. energy: -0.616
local terms energy: -68.594472
where:
bonds (distance) C4'-P energy: -18.979
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -9.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -172.434887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.434887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.434887 (E_RNA)
where:
Base-Base interactions energy: -101.720
where: short stacking energy: -48.174
Base-Backbone interact. energy: -0.330
local terms energy: -70.385046
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -14.474
flat angles C4'-P-C4' energy: -18.620
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -13.416
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: 8, replica: 9
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -162.496058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.496058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.496058 (E_RNA)
where:
Base-Base interactions energy: -91.101
where: short stacking energy: -48.380
Base-Backbone interact. energy: -0.074
local terms energy: -71.320844
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -14.444
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: 10
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -97.418877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.418877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.418877 (E_RNA)
where:
Base-Base interactions energy: -41.199
where: short stacking energy: -29.739
Base-Backbone interact. energy: -0.113
local terms energy: -56.106436
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -4.950
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: 10, replica: 1
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -86.786904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.786904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.786904 (E_RNA)
where:
Base-Base interactions energy: -22.965
where: short stacking energy: -22.965
Base-Backbone interact. energy: -0.097
local terms energy: -63.724601
where:
bonds (distance) C4'-P energy: -18.603
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -17.782
flat angles P-C4'-P energy: -6.921
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: 1, replica: 6
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -243.422942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.422942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.422942 (E_RNA)
where:
Base-Base interactions energy: -160.065
where: short stacking energy: -83.625
Base-Backbone interact. energy: -0.316
local terms energy: -83.041786
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -19.923
flat angles C4'-P-C4' energy: -18.366
flat angles P-C4'-P energy: -13.859
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: 2, replica: 2
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -226.800142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.800142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.800142 (E_RNA)
where:
Base-Base interactions energy: -149.535
where: short stacking energy: -69.652
Base-Backbone interact. energy: -0.094
local terms energy: -77.171180
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -15.264
flat angles C4'-P-C4' energy: -18.069
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: -14.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -217.469660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.469660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.469660 (E_RNA)
where:
Base-Base interactions energy: -134.546
where: short stacking energy: -64.740
Base-Backbone interact. energy: 0.458
local terms energy: -83.381492
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -18.269
flat angles C4'-P-C4' energy: -19.037
flat angles P-C4'-P energy: -11.036
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: 4, replica: 5
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -205.617357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.617357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.617357 (E_RNA)
where:
Base-Base interactions energy: -131.998
where: short stacking energy: -62.876
Base-Backbone interact. energy: -0.123
local terms energy: -73.496150
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: -16.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -190.480339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.480339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.480339 (E_RNA)
where:
Base-Base interactions energy: -115.809
where: short stacking energy: -56.230
Base-Backbone interact. energy: -0.343
local terms energy: -74.328035
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -16.257
flat angles C4'-P-C4' energy: -19.731
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -15.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -167.959251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.959251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.959251 (E_RNA)
where:
Base-Base interactions energy: -102.617
where: short stacking energy: -47.639
Base-Backbone interact. energy: -0.087
local terms energy: -65.256022
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -9.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -158.619891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.619891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.619891 (E_RNA)
where:
Base-Base interactions energy: -93.205
where: short stacking energy: -53.927
Base-Backbone interact. energy: 0.533
local terms energy: -65.947780
where:
bonds (distance) C4'-P energy: -16.476
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -5.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -108.019068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.019068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.019068 (E_RNA)
where:
Base-Base interactions energy: -51.920
where: short stacking energy: -40.435
Base-Backbone interact. energy: 0.063
local terms energy: -56.162322
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -3.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -162.975877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.975877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.975877 (E_RNA)
where:
Base-Base interactions energy: -102.657
where: short stacking energy: -40.148
Base-Backbone interact. energy: -0.184
local terms energy: -60.135180
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -10.998
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -11.314
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: 1
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -88.556090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.556090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.556090 (E_RNA)
where:
Base-Base interactions energy: -33.528
where: short stacking energy: -33.194
Base-Backbone interact. energy: -0.111
local terms energy: -54.916807
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -5.697
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: 1, replica: 2
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -245.205615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.205615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.205615 (E_RNA)
where:
Base-Base interactions energy: -162.062
where: short stacking energy: -83.796
Base-Backbone interact. energy: -0.371
local terms energy: -82.772889
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -19.899
flat angles P-C4'-P energy: -12.968
tors. eta vs tors. theta energy: -20.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -227.760956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.760956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.760956 (E_RNA)
where:
Base-Base interactions energy: -149.723
where: short stacking energy: -55.206
Base-Backbone interact. energy: -0.492
local terms energy: -77.545312
where:
bonds (distance) C4'-P energy: -18.533
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -12.972
flat angles P-C4'-P energy: -11.826
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: 3, replica: 5
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -214.392331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.392331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.392331 (E_RNA)
where:
Base-Base interactions energy: -136.177
where: short stacking energy: -70.418
Base-Backbone interact. energy: -0.023
local terms energy: -78.192849
where:
bonds (distance) C4'-P energy: -18.199
bonds (distance) P-C4' energy: -17.962
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -11.635
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: 4, replica: 8
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -208.428398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.428398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.428398 (E_RNA)
where:
Base-Base interactions energy: -134.161
where: short stacking energy: -73.044
Base-Backbone interact. energy: -0.517
local terms energy: -73.751334
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -18.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -167.681825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.681825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.681825 (E_RNA)
where:
Base-Base interactions energy: -101.383
where: short stacking energy: -40.990
Base-Backbone interact. energy: 1.679
local terms energy: -67.977756
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -11.808
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: 3
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -172.350875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.350875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.350875 (E_RNA)
where:
Base-Base interactions energy: -107.790
where: short stacking energy: -49.975
Base-Backbone interact. energy: -0.150
local terms energy: -64.410105
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -10.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -156.025922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.025922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.025922 (E_RNA)
where:
Base-Base interactions energy: -93.368
where: short stacking energy: -47.955
Base-Backbone interact. energy: -1.739
local terms energy: -60.918926
where:
bonds (distance) C4'-P energy: -9.011
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -7.348
tors. eta vs tors. theta energy: -10.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -108.554971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.554971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.554971 (E_RNA)
where:
Base-Base interactions energy: -50.035
where: short stacking energy: -30.943
Base-Backbone interact. energy: 0.242
local terms energy: -58.761720
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -19.349
flat angles C4'-P-C4' energy: -11.111
flat angles P-C4'-P energy: -13.057
tors. eta vs tors. theta energy: -3.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -169.358989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.358989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.358989 (E_RNA)
where:
Base-Base interactions energy: -96.929
where: short stacking energy: -46.343
Base-Backbone interact. energy: -0.070
local terms energy: -72.359696
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -17.336
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -12.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -85.090539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.090539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.090539 (E_RNA)
where:
Base-Base interactions energy: -38.991
where: short stacking energy: -24.139
Base-Backbone interact. energy: -0.381
local terms energy: -45.718255
where:
bonds (distance) C4'-P energy: -12.921
bonds (distance) P-C4' energy: -18.156
flat angles C4'-P-C4' energy: -7.356
flat angles P-C4'-P energy: -5.759
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: 1, replica: 2
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -245.046901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.046901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.046901 (E_RNA)
where:
Base-Base interactions energy: -162.268
where: short stacking energy: -82.947
Base-Backbone interact. energy: -0.169
local terms energy: -82.609867
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -17.901
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -20.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -239.934474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.934474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.934474 (E_RNA)
where:
Base-Base interactions energy: -159.861
where: short stacking energy: -82.046
Base-Backbone interact. energy: -0.614
local terms energy: -79.459219
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -22.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -209.306667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.306667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.306667 (E_RNA)
where:
Base-Base interactions energy: -126.877
where: short stacking energy: -66.277
Base-Backbone interact. energy: -0.428
local terms energy: -82.000993
where:
bonds (distance) C4'-P energy: -19.957
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -17.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -161.869865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.869865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.869865 (E_RNA)
where:
Base-Base interactions energy: -89.357
where: short stacking energy: -44.441
Base-Backbone interact. energy: -0.291
local terms energy: -72.222374
where:
bonds (distance) C4'-P energy: -17.829
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -13.027
tors. eta vs tors. theta energy: -6.668
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: 8
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -196.578861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.578861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.578861 (E_RNA)
where:
Base-Base interactions energy: -122.445
where: short stacking energy: -61.529
Base-Backbone interact. energy: -0.298
local terms energy: -73.835557
where:
bonds (distance) C4'-P energy: -18.693
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -13.411
flat angles P-C4'-P energy: -10.399
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: 6, replica: 3
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -159.947437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.947437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.947437 (E_RNA)
where:
Base-Base interactions energy: -99.097
where: short stacking energy: -45.240
Base-Backbone interact. energy: -0.363
local terms energy: -60.487791
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -11.420
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -10.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -153.927457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.927457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.927457 (E_RNA)
where:
Base-Base interactions energy: -89.685
where: short stacking energy: -53.952
Base-Backbone interact. energy: -0.107
local terms energy: -64.135731
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -17.388
flat angles C4'-P-C4' energy: -10.280
flat angles P-C4'-P energy: -9.731
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: 8, replica: 9
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -168.907362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.907362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.907362 (E_RNA)
where:
Base-Base interactions energy: -98.359
where: short stacking energy: -48.254
Base-Backbone interact. energy: -0.192
local terms energy: -70.355764
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -18.625
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -14.109
tors. eta vs tors. theta energy: -8.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -99.534187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.534187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.534187 (E_RNA)
where:
Base-Base interactions energy: -38.573
where: short stacking energy: -38.573
Base-Backbone interact. energy: 0.140
local terms energy: -61.101767
where:
bonds (distance) C4'-P energy: -18.453
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -12.404
flat angles P-C4'-P energy: -13.578
tors. eta vs tors. theta energy: -2.222
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: 1
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -94.659050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.659050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.659050 (E_RNA)
where:
Base-Base interactions energy: -33.669
where: short stacking energy: -33.669
Base-Backbone interact. energy: -0.177
local terms energy: -60.813032
where:
bonds (distance) C4'-P energy: -16.877
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -6.534
tors. eta vs tors. theta energy: -8.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -243.946178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.946178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.946178 (E_RNA)
where:
Base-Base interactions energy: -160.729
where: short stacking energy: -80.763
Base-Backbone interact. energy: -0.411
local terms energy: -82.806212
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -13.177
tors. eta vs tors. theta energy: -18.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -230.892821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.892821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.892821 (E_RNA)
where:
Base-Base interactions energy: -145.458
where: short stacking energy: -76.470
Base-Backbone interact. energy: -0.501
local terms energy: -84.933869
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -20.286
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -9.246
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: 3, replica: 5
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -233.586071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.586071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.586071 (E_RNA)
where:
Base-Base interactions energy: -150.379
where: short stacking energy: -70.981
Base-Backbone interact. energy: -0.115
local terms energy: -83.091477
where:
bonds (distance) C4'-P energy: -16.821
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -12.462
tors. eta vs tors. theta energy: -21.182
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: 7
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -172.264306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.264306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.264306 (E_RNA)
where:
Base-Base interactions energy: -111.545
where: short stacking energy: -46.383
Base-Backbone interact. energy: 0.891
local terms energy: -61.609982
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -17.353
flat angles P-C4'-P energy: -6.352
tors. eta vs tors. theta energy: -8.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -198.211688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.211688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.211688 (E_RNA)
where:
Base-Base interactions energy: -115.947
where: short stacking energy: -64.200
Base-Backbone interact. energy: -0.116
local terms energy: -82.148238
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -19.725
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -14.061
tors. eta vs tors. theta energy: -15.339
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: 3
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -180.582933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.582933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.582933 (E_RNA)
where:
Base-Base interactions energy: -111.946
where: short stacking energy: -65.677
Base-Backbone interact. energy: -0.209
local terms energy: -68.428781
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -17.124
flat angles P-C4'-P energy: -11.843
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: 7, replica: 9
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -178.110191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.110191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.110191 (E_RNA)
where:
Base-Base interactions energy: -108.189
where: short stacking energy: -59.105
Base-Backbone interact. energy: -0.243
local terms energy: -69.678399
where:
bonds (distance) C4'-P energy: -11.240
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -14.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -148.393503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.393503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.393503 (E_RNA)
where:
Base-Base interactions energy: -86.916
where: short stacking energy: -46.915
Base-Backbone interact. energy: -0.591
local terms energy: -60.886866
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -20.088
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -5.727
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: 9, replica: 1
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -85.744219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.744219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.744219 (E_RNA)
where:
Base-Base interactions energy: -32.740
where: short stacking energy: -29.337
Base-Backbone interact. energy: -0.688
local terms energy: -52.316184
where:
bonds (distance) C4'-P energy: -10.117
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -2.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -89.627254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.627254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.627254 (E_RNA)
where:
Base-Base interactions energy: -34.427
where: short stacking energy: -26.549
Base-Backbone interact. energy: -0.294
local terms energy: -54.906897
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -18.614
flat angles P-C4'-P energy: -5.034
tors. eta vs tors. theta energy: -3.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -241.312386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.312386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.312386 (E_RNA)
where:
Base-Base interactions energy: -155.119
where: short stacking energy: -81.819
Base-Backbone interact. energy: -0.298
local terms energy: -85.894898
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -18.710
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -12.871
tors. eta vs tors. theta energy: -22.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -240.395692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.395692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.395692 (E_RNA)
where:
Base-Base interactions energy: -155.555
where: short stacking energy: -78.782
Base-Backbone interact. energy: -0.090
local terms energy: -84.749976
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -16.279
flat angles C4'-P-C4' energy: -20.392
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -18.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -217.605494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.605494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.605494 (E_RNA)
where:
Base-Base interactions energy: -137.366
where: short stacking energy: -73.739
Base-Backbone interact. energy: 0.793
local terms energy: -81.032037
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -18.139
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -11.660
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: 4, replica: 8
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -204.307589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.307589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.307589 (E_RNA)
where:
Base-Base interactions energy: -124.693
where: short stacking energy: -65.775
Base-Backbone interact. energy: 1.597
local terms energy: -81.211931
where:
bonds (distance) C4'-P energy: -18.747
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -12.986
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: 5, replica: 7
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -184.631263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.631263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.631263 (E_RNA)
where:
Base-Base interactions energy: -117.088
where: short stacking energy: -65.346
Base-Backbone interact. energy: -0.001
local terms energy: -67.542543
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -18.942
flat angles C4'-P-C4' energy: -13.231
flat angles P-C4'-P energy: -7.750
tors. eta vs tors. theta energy: -14.655
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: 6, replica: 3
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -168.081071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.081071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.081071 (E_RNA)
where:
Base-Base interactions energy: -94.727
where: short stacking energy: -50.258
Base-Backbone interact. energy: -0.066
local terms energy: -73.287552
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: -14.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -176.416331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.416331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.416331 (E_RNA)
where:
Base-Base interactions energy: -103.386
where: short stacking energy: -55.013
Base-Backbone interact. energy: 0.114
local terms energy: -73.144429
where:
bonds (distance) C4'-P energy: -16.914
bonds (distance) P-C4' energy: -15.651
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -17.248
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: 323
Temperature: 1.250000
Total energy: -101.707063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.707063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.707063 (E_RNA)
where:
Base-Base interactions energy: -37.117
where: short stacking energy: -33.444
Base-Backbone interact. energy: -0.395
local terms energy: -64.194270
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -18.554
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -9.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -116.877451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.877451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.877451 (E_RNA)
where:
Base-Base interactions energy: -55.028
where: short stacking energy: -33.009
Base-Backbone interact. energy: -0.342
local terms energy: -61.507122
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -18.524
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -4.901
tors. eta vs tors. theta energy: -8.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -83.236003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.236003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.236003 (E_RNA)
where:
Base-Base interactions energy: -21.550
where: short stacking energy: -18.745
Base-Backbone interact. energy: -0.176
local terms energy: -61.509153
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -19.693
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -1.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -241.704978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.704978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.704978 (E_RNA)
where:
Base-Base interactions energy: -152.585
where: short stacking energy: -73.762
Base-Backbone interact. energy: -0.528
local terms energy: -88.591766
where:
bonds (distance) C4'-P energy: -18.024
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -17.405
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -20.988
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: 2, replica: 2
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -224.625208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.625208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.625208 (E_RNA)
where:
Base-Base interactions energy: -149.124
where: short stacking energy: -66.605
Base-Backbone interact. energy: -0.421
local terms energy: -75.080230
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -17.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -218.648790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.648790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.648790 (E_RNA)
where:
Base-Base interactions energy: -135.859
where: short stacking energy: -79.635
Base-Backbone interact. energy: -0.002
local terms energy: -82.787851
where:
bonds (distance) C4'-P energy: -18.855
bonds (distance) P-C4' energy: -12.632
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -25.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -209.182130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.182130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.182130 (E_RNA)
where:
Base-Base interactions energy: -121.107
where: short stacking energy: -66.595
Base-Backbone interact. energy: -0.349
local terms energy: -87.726211
where:
bonds (distance) C4'-P energy: -18.956
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -17.436
flat angles P-C4'-P energy: -13.576
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: 5, replica: 3
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -175.644381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.644381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.644381 (E_RNA)
where:
Base-Base interactions energy: -107.177
where: short stacking energy: -58.007
Base-Backbone interact. energy: -1.612
local terms energy: -66.856122
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -13.594
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -14.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -174.359103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.359103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.359103 (E_RNA)
where:
Base-Base interactions energy: -109.610
where: short stacking energy: -52.237
Base-Backbone interact. energy: 1.475
local terms energy: -66.223968
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -17.780
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -11.398
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: 7, replica: 9
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -154.805826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.805826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.805826 (E_RNA)
where:
Base-Base interactions energy: -88.944
where: short stacking energy: -53.288
Base-Backbone interact. energy: 0.229
local terms energy: -66.091120
where:
bonds (distance) C4'-P energy: -8.739
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -11.666
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: 8, replica: 4
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -105.679253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.679253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.679253 (E_RNA)
where:
Base-Base interactions energy: -49.739
where: short stacking energy: -38.189
Base-Backbone interact. energy: -0.311
local terms energy: -55.628984
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -10.596
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -4.160
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: 10
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -89.311254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.311254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.311254 (E_RNA)
where:
Base-Base interactions energy: -29.481
where: short stacking energy: -21.134
Base-Backbone interact. energy: -0.354
local terms energy: -59.476269
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -13.111
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: 10, replica: 1
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -109.008168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.008168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.008168 (E_RNA)
where:
Base-Base interactions energy: -48.567
where: short stacking energy: -24.010
Base-Backbone interact. energy: -0.118
local terms energy: -60.323157
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -1.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -233.427217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.427217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.427217 (E_RNA)
where:
Base-Base interactions energy: -152.569
where: short stacking energy: -68.772
Base-Backbone interact. energy: -0.432
local terms energy: -80.426592
where:
bonds (distance) C4'-P energy: -18.351
bonds (distance) P-C4' energy: -17.804
flat angles C4'-P-C4' energy: -17.887
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -16.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -225.490028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.490028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.490028 (E_RNA)
where:
Base-Base interactions energy: -140.168
where: short stacking energy: -80.967
Base-Backbone interact. energy: -0.002
local terms energy: -85.319904
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -18.093
flat angles C4'-P-C4' energy: -18.975
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -22.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -221.319685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.319685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.319685 (E_RNA)
where:
Base-Base interactions energy: -144.536
where: short stacking energy: -69.914
Base-Backbone interact. energy: -0.141
local terms energy: -76.642557
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -17.891
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -18.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -198.845123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.845123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.845123 (E_RNA)
where:
Base-Base interactions energy: -123.593
where: short stacking energy: -53.317
Base-Backbone interact. energy: -0.300
local terms energy: -74.952219
where:
bonds (distance) C4'-P energy: -18.284
bonds (distance) P-C4' energy: -19.239
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -8.108
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: 5, replica: 5
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -193.346804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.346804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.346804 (E_RNA)
where:
Base-Base interactions energy: -119.366
where: short stacking energy: -66.146
Base-Backbone interact. energy: -0.348
local terms energy: -73.632597
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -17.243
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -8.792
tors. eta vs tors. theta energy: -17.768
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: 325
Temperature: 1.150000
Total energy: -175.531280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.531280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.531280 (E_RNA)
where:
Base-Base interactions energy: -106.551
where: short stacking energy: -55.073
Base-Backbone interact. energy: -0.398
local terms energy: -68.581567
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -14.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -119.546648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.546648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.546648 (E_RNA)
where:
Base-Base interactions energy: -70.916
where: short stacking energy: -33.401
Base-Backbone interact. energy: -0.165
local terms energy: -48.465620
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -10.559
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -4.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -101.473910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.473910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.473910 (E_RNA)
where:
Base-Base interactions energy: -41.238
where: short stacking energy: -41.140
Base-Backbone interact. energy: -0.170
local terms energy: -60.065788
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -16.034
flat angles C4'-P-C4' energy: -12.038
flat angles P-C4'-P energy: -7.372
tors. eta vs tors. theta energy: -9.238
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: 4
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -105.559435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.559435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.559435 (E_RNA)
where:
Base-Base interactions energy: -41.955
where: short stacking energy: -40.369
Base-Backbone interact. energy: -0.618
local terms energy: -62.986083
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -18.573
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -4.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -94.920763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.920763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.920763 (E_RNA)
where:
Base-Base interactions energy: -34.837
where: short stacking energy: -34.837
Base-Backbone interact. energy: -0.064
local terms energy: -60.019657
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -15.446
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -7.343
tors. eta vs tors. theta energy: -5.420
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: 6
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -220.166282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.166282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.166282 (E_RNA)
where:
Base-Base interactions energy: -140.792
where: short stacking energy: -71.195
Base-Backbone interact. energy: -0.060
local terms energy: -79.313646
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -17.192
flat angles C4'-P-C4' energy: -19.551
flat angles P-C4'-P energy: -13.457
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: 2, replica: 8
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -220.365586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.365586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.365586 (E_RNA)
where:
Base-Base interactions energy: -143.890
where: short stacking energy: -63.156
Base-Backbone interact. energy: -0.064
local terms energy: -76.411714
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -17.897
flat angles C4'-P-C4' energy: -18.538
flat angles P-C4'-P energy: -4.925
tors. eta vs tors. theta energy: -18.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -217.575787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.575787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.575787 (E_RNA)
where:
Base-Base interactions energy: -128.613
where: short stacking energy: -65.803
Base-Backbone interact. energy: -0.012
local terms energy: -88.950325
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -18.718
flat angles C4'-P-C4' energy: -18.461
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -24.010
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: 326
Temperature: 1.050000
Total energy: -208.473583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.473583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.473583 (E_RNA)
where:
Base-Base interactions energy: -127.434
where: short stacking energy: -72.312
Base-Backbone interact. energy: -0.219
local terms energy: -80.820499
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -19.727
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -17.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -192.893416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.893416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.893416 (E_RNA)
where:
Base-Base interactions energy: -117.276
where: short stacking energy: -57.756
Base-Backbone interact. energy: -0.232
local terms energy: -75.385510
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -18.012
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -15.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -178.989485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.989485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.989485 (E_RNA)
where:
Base-Base interactions energy: -112.397
where: short stacking energy: -53.880
Base-Backbone interact. energy: 0.019
local terms energy: -66.610983
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -10.064
flat angles P-C4'-P energy: -8.671
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: 7, replica: 10
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -123.477267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.477267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.477267 (E_RNA)
where:
Base-Base interactions energy: -61.952
where: short stacking energy: -47.843
Base-Backbone interact. energy: 0.369
local terms energy: -61.894110
where:
bonds (distance) C4'-P energy: -18.173
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: -1.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -136.539960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.539960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.539960 (E_RNA)
where:
Base-Base interactions energy: -85.682
where: short stacking energy: -39.424
Base-Backbone interact. energy: -0.119
local terms energy: -50.739017
where:
bonds (distance) C4'-P energy: -18.707
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -9.064
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: 9, replica: 1
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -89.172381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.172381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.172381 (E_RNA)
where:
Base-Base interactions energy: -32.913
where: short stacking energy: -26.255
Base-Backbone interact. energy: -0.379
local terms energy: -55.879956
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -6.372
tors. eta vs tors. theta energy: 0.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -124.191460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.191460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.191460 (E_RNA)
where:
Base-Base interactions energy: -63.128
where: short stacking energy: -28.740
Base-Backbone interact. energy: -0.158
local terms energy: -60.905777
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -6.391
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -11.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -250.867613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.867613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.867613 (E_RNA)
where:
Base-Base interactions energy: -164.519
where: short stacking energy: -82.537
Base-Backbone interact. energy: -0.575
local terms energy: -85.773566
where:
bonds (distance) C4'-P energy: -19.107
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -12.497
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: 2, replica: 3
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -218.994284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.994284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.994284 (E_RNA)
where:
Base-Base interactions energy: -139.309
where: short stacking energy: -71.996
Base-Backbone interact. energy: -0.203
local terms energy: -79.482163
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -13.530
tors. eta vs tors. theta energy: -20.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -206.911563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.911563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.911563 (E_RNA)
where:
Base-Base interactions energy: -127.235
where: short stacking energy: -67.394
Base-Backbone interact. energy: -0.040
local terms energy: -79.637039
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -17.967
flat angles P-C4'-P energy: -7.089
tors. eta vs tors. theta energy: -20.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -204.131210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.131210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.131210 (E_RNA)
where:
Base-Base interactions energy: -123.578
where: short stacking energy: -71.654
Base-Backbone interact. energy: -0.047
local terms energy: -80.505723
where:
bonds (distance) C4'-P energy: -16.403
bonds (distance) P-C4' energy: -13.403
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -8.543
tors. eta vs tors. theta energy: -24.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -209.729126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.729126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.729126 (E_RNA)
where:
Base-Base interactions energy: -129.905
where: short stacking energy: -81.098
Base-Backbone interact. energy: -0.690
local terms energy: -79.134030
where:
bonds (distance) C4'-P energy: -10.427
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -18.923
flat angles P-C4'-P energy: -9.878
tors. eta vs tors. theta energy: -23.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -189.613812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.613812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.613812 (E_RNA)
where:
Base-Base interactions energy: -109.314
where: short stacking energy: -58.306
Base-Backbone interact. energy: -0.008
local terms energy: -80.292109
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -17.032
flat angles C4'-P-C4' energy: -18.427
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: -17.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -99.218805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.218805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.218805 (E_RNA)
where:
Base-Base interactions energy: -37.821
where: short stacking energy: -34.226
Base-Backbone interact. energy: -0.185
local terms energy: -61.213451
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -16.891
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -5.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -95.394687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.394687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.394687 (E_RNA)
where:
Base-Base interactions energy: -35.199
where: short stacking energy: -29.233
Base-Backbone interact. energy: -0.106
local terms energy: -60.089389
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -17.423
flat angles P-C4'-P energy: -3.953
tors. eta vs tors. theta energy: -5.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -139.507398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.507398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.507398 (E_RNA)
where:
Base-Base interactions energy: -86.759
where: short stacking energy: -42.877
Base-Backbone interact. energy: -0.206
local terms energy: -52.542314
where:
bonds (distance) C4'-P energy: -8.443
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -4.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -143.134077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.134077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.134077 (E_RNA)
where:
Base-Base interactions energy: -94.326
where: short stacking energy: -39.329
Base-Backbone interact. energy: -0.478
local terms energy: -48.329931
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -11.101
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: 0.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -246.674937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.674937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.674937 (E_RNA)
where:
Base-Base interactions energy: -164.109
where: short stacking energy: -85.687
Base-Backbone interact. energy: -0.543
local terms energy: -82.023392
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -18.592
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -20.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -220.383659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.383659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.383659 (E_RNA)
where:
Base-Base interactions energy: -136.223
where: short stacking energy: -70.558
Base-Backbone interact. energy: -0.006
local terms energy: -84.154617
where:
bonds (distance) C4'-P energy: -12.862
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -18.224
flat angles P-C4'-P energy: -10.811
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: 3, replica: 5
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -208.123392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.123392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.123392 (E_RNA)
where:
Base-Base interactions energy: -128.012
where: short stacking energy: -60.124
Base-Backbone interact. energy: -0.014
local terms energy: -80.098122
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -21.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -194.901099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.901099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.901099 (E_RNA)
where:
Base-Base interactions energy: -121.288
where: short stacking energy: -55.689
Base-Backbone interact. energy: -0.100
local terms energy: -73.513039
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -19.616
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: -13.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -194.031087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.031087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.031087 (E_RNA)
where:
Base-Base interactions energy: -123.205
where: short stacking energy: -69.003
Base-Backbone interact. energy: -0.010
local terms energy: -70.816199
where:
bonds (distance) C4'-P energy: -13.086
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -16.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -195.063627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.063627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.063627 (E_RNA)
where:
Base-Base interactions energy: -121.081
where: short stacking energy: -66.720
Base-Backbone interact. energy: -0.217
local terms energy: -73.765469
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -9.271
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -21.320
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: 1
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -111.785596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.785596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.785596 (E_RNA)
where:
Base-Base interactions energy: -49.652
where: short stacking energy: -33.866
Base-Backbone interact. energy: -0.079
local terms energy: -62.054072
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -20.097
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: -4.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -127.240165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.240165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.240165 (E_RNA)
where:
Base-Base interactions energy: -63.372
where: short stacking energy: -51.768
Base-Backbone interact. energy: 0.884
local terms energy: -64.751778
where:
bonds (distance) C4'-P energy: -7.665
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -17.910
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -12.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -153.101929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.101929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.101929 (E_RNA)
where:
Base-Base interactions energy: -91.840
where: short stacking energy: -52.784
Base-Backbone interact. energy: -0.106
local terms energy: -61.155270
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -7.737
tors. eta vs tors. theta energy: -11.320
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: 7
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -141.761233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.761233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.761233 (E_RNA)
where:
Base-Base interactions energy: -81.743
where: short stacking energy: -42.977
Base-Backbone interact. energy: -0.412
local terms energy: -59.605747
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -10.801
flat angles C4'-P-C4' energy: -11.822
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -11.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -242.890843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.890843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.890843 (E_RNA)
where:
Base-Base interactions energy: -162.375
where: short stacking energy: -76.134
Base-Backbone interact. energy: -0.460
local terms energy: -80.056132
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -17.286
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -19.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -207.071486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.071486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.071486 (E_RNA)
where:
Base-Base interactions energy: -133.080
where: short stacking energy: -71.252
Base-Backbone interact. energy: 0.181
local terms energy: -74.173185
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -16.937
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: -21.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -220.699233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.699233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.699233 (E_RNA)
where:
Base-Base interactions energy: -129.453
where: short stacking energy: -71.415
Base-Backbone interact. energy: -0.001
local terms energy: -91.245962
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -19.862
flat angles C4'-P-C4' energy: -21.373
flat angles P-C4'-P energy: -12.987
tors. eta vs tors. theta energy: -21.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -187.555513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.555513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.555513 (E_RNA)
where:
Base-Base interactions energy: -115.117
where: short stacking energy: -54.477
Base-Backbone interact. energy: 0.136
local terms energy: -72.575229
where:
bonds (distance) C4'-P energy: -17.530
bonds (distance) P-C4' energy: -17.543
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -14.988
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: 5, replica: 2
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -193.467404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.467404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.467404 (E_RNA)
where:
Base-Base interactions energy: -113.704
where: short stacking energy: -64.264
Base-Backbone interact. energy: -0.004
local terms energy: -79.759779
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -19.144
flat angles P-C4'-P energy: -11.523
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: 6, replica: 9
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -192.328774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.328774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.328774 (E_RNA)
where:
Base-Base interactions energy: -119.427
where: short stacking energy: -58.444
Base-Backbone interact. energy: -0.209
local terms energy: -72.692279
where:
bonds (distance) C4'-P energy: -20.491
bonds (distance) P-C4' energy: -15.668
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -11.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -150.441566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.441566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.441566 (E_RNA)
where:
Base-Base interactions energy: -78.521
where: short stacking energy: -53.059
Base-Backbone interact. energy: -0.173
local terms energy: -71.747443
where:
bonds (distance) C4'-P energy: -17.840
bonds (distance) P-C4' energy: -19.221
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -9.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -153.869317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.869317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.869317 (E_RNA)
where:
Base-Base interactions energy: -93.775
where: short stacking energy: -46.426
Base-Backbone interact. energy: -0.027
local terms energy: -60.067296
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -6.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -101.275099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.275099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.275099 (E_RNA)
where:
Base-Base interactions energy: -50.346
where: short stacking energy: -42.517
Base-Backbone interact. energy: -0.400
local terms energy: -50.529038
where:
bonds (distance) C4'-P energy: -10.218
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -5.299
tors. eta vs tors. theta energy: -8.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -135.547815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.547815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.547815 (E_RNA)
where:
Base-Base interactions energy: -75.644
where: short stacking energy: -36.979
Base-Backbone interact. energy: -0.348
local terms energy: -59.555098
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -19.348
flat angles P-C4'-P energy: -3.035
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: 1, replica: 6
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -246.973989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.973989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.973989 (E_RNA)
where:
Base-Base interactions energy: -164.510
where: short stacking energy: -79.303
Base-Backbone interact. energy: -0.284
local terms energy: -82.180209
where:
bonds (distance) C4'-P energy: -16.967
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -14.462
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: 2, replica: 5
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -207.563969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.563969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.563969 (E_RNA)
where:
Base-Base interactions energy: -129.290
where: short stacking energy: -55.911
Base-Backbone interact. energy: -0.405
local terms energy: -77.868769
where:
bonds (distance) C4'-P energy: -17.038
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -18.124
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -14.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -213.859226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.859226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.859226 (E_RNA)
where:
Base-Base interactions energy: -139.501
where: short stacking energy: -74.102
Base-Backbone interact. energy: -0.101
local terms energy: -74.257575
where:
bonds (distance) C4'-P energy: -11.131
bonds (distance) P-C4' energy: -19.672
flat angles C4'-P-C4' energy: -17.838
flat angles P-C4'-P energy: -9.923
tors. eta vs tors. theta energy: -15.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -189.368300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.368300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.368300 (E_RNA)
where:
Base-Base interactions energy: -120.697
where: short stacking energy: -56.929
Base-Backbone interact. energy: -0.160
local terms energy: -68.510959
where:
bonds (distance) C4'-P energy: -18.164
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: -16.117
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: 5, replica: 2
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -204.833322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.833322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.833322 (E_RNA)
where:
Base-Base interactions energy: -132.572
where: short stacking energy: -59.759
Base-Backbone interact. energy: -0.103
local terms energy: -72.158867
where:
bonds (distance) C4'-P energy: -17.987
bonds (distance) P-C4' energy: -10.347
flat angles C4'-P-C4' energy: -17.944
flat angles P-C4'-P energy: -10.766
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: 9
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -166.070442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.070442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.070442 (E_RNA)
where:
Base-Base interactions energy: -95.614
where: short stacking energy: -50.307
Base-Backbone interact. energy: -0.140
local terms energy: -70.316397
where:
bonds (distance) C4'-P energy: -9.698
bonds (distance) P-C4' energy: -16.134
flat angles C4'-P-C4' energy: -16.784
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -16.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -146.079035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.079035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.079035 (E_RNA)
where:
Base-Base interactions energy: -89.595
where: short stacking energy: -37.953
Base-Backbone interact. energy: -0.362
local terms energy: -56.122263
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -11.877
flat angles P-C4'-P energy: -5.210
tors. eta vs tors. theta energy: -9.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -139.616368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.616368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.616368 (E_RNA)
where:
Base-Base interactions energy: -77.669
where: short stacking energy: -36.436
Base-Backbone interact. energy: 0.275
local terms energy: -62.221912
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -19.174
flat angles C4'-P-C4' energy: -12.467
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -8.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -96.924061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.924061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.924061 (E_RNA)
where:
Base-Base interactions energy: -34.432
where: short stacking energy: -22.197
Base-Backbone interact. energy: -0.145
local terms energy: -62.347658
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -19.310
flat angles C4'-P-C4' energy: -17.690
flat angles P-C4'-P energy: -7.078
tors. eta vs tors. theta energy: -5.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -95.730833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.730833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.730833 (E_RNA)
where:
Base-Base interactions energy: -39.577
where: short stacking energy: -38.178
Base-Backbone interact. energy: 0.938
local terms energy: -57.092027
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -8.473
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: 1, replica: 6
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -246.127413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.127413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.127413 (E_RNA)
where:
Base-Base interactions energy: -155.409
where: short stacking energy: -77.367
Base-Backbone interact. energy: -0.415
local terms energy: -90.303618
where:
bonds (distance) C4'-P energy: -17.788
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -20.597
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -22.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -217.160122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.160122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.160122 (E_RNA)
where:
Base-Base interactions energy: -133.915
where: short stacking energy: -67.907
Base-Backbone interact. energy: -0.017
local terms energy: -83.227877
where:
bonds (distance) C4'-P energy: -16.711
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -19.250
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -20.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -199.894729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.894729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.894729 (E_RNA)
where:
Base-Base interactions energy: -121.416
where: short stacking energy: -62.375
Base-Backbone interact. energy: -0.018
local terms energy: -78.460363
where:
bonds (distance) C4'-P energy: -20.793
bonds (distance) P-C4' energy: -12.013
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: -16.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -205.224424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.224424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.224424 (E_RNA)
where:
Base-Base interactions energy: -127.665
where: short stacking energy: -69.950
Base-Backbone interact. energy: -0.133
local terms energy: -77.426246
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -19.278
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -14.008
tors. eta vs tors. theta energy: -15.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -187.210112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.210112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.210112 (E_RNA)
where:
Base-Base interactions energy: -103.681
where: short stacking energy: -50.941
Base-Backbone interact. energy: -0.090
local terms energy: -83.439091
where:
bonds (distance) C4'-P energy: -16.487
bonds (distance) P-C4' energy: -19.861
flat angles C4'-P-C4' energy: -18.539
flat angles P-C4'-P energy: -13.206
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: 9
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -186.862295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.862295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.862295 (E_RNA)
where:
Base-Base interactions energy: -97.738
where: short stacking energy: -50.672
Base-Backbone interact. energy: -0.200
local terms energy: -88.924539
where:
bonds (distance) C4'-P energy: -20.251
bonds (distance) P-C4' energy: -19.972
flat angles C4'-P-C4' energy: -18.781
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -17.229
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: 4
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -176.400554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.400554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.400554 (E_RNA)
where:
Base-Base interactions energy: -112.437
where: short stacking energy: -60.841
Base-Backbone interact. energy: -0.128
local terms energy: -63.835564
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -11.791
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -13.502
tors. eta vs tors. theta energy: -9.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -139.644668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.644668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.644668 (E_RNA)
where:
Base-Base interactions energy: -79.458
where: short stacking energy: -35.356
Base-Backbone interact. energy: -0.204
local terms energy: -59.982714
where:
bonds (distance) C4'-P energy: -12.221
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -2.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -91.584482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.584482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.584482 (E_RNA)
where:
Base-Base interactions energy: -28.764
where: short stacking energy: -26.236
Base-Backbone interact. energy: -0.207
local terms energy: -62.613525
where:
bonds (distance) C4'-P energy: -17.609
bonds (distance) P-C4' energy: -19.160
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -0.092
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: 7
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -81.148549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.148549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.148549 (E_RNA)
where:
Base-Base interactions energy: -37.328
where: short stacking energy: -31.046
Base-Backbone interact. energy: 3.407
local terms energy: -47.227268
where:
bonds (distance) C4'-P energy: -9.819
bonds (distance) P-C4' energy: -18.222
flat angles C4'-P-C4' energy: -4.362
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: -1.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -245.839207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.839207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.839207 (E_RNA)
where:
Base-Base interactions energy: -161.099
where: short stacking energy: -79.686
Base-Backbone interact. energy: -0.196
local terms energy: -84.544827
where:
bonds (distance) C4'-P energy: -16.939
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -11.931
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: 8
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -214.956798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.956798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.956798 (E_RNA)
where:
Base-Base interactions energy: -135.827
where: short stacking energy: -70.469
Base-Backbone interact. energy: -0.246
local terms energy: -78.883457
where:
bonds (distance) C4'-P energy: -18.881
bonds (distance) P-C4' energy: -12.199
flat angles C4'-P-C4' energy: -18.151
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -18.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -204.477879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.477879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.477879 (E_RNA)
where:
Base-Base interactions energy: -127.998
where: short stacking energy: -73.881
Base-Backbone interact. energy: -0.103
local terms energy: -76.376800
where:
bonds (distance) C4'-P energy: -16.352
bonds (distance) P-C4' energy: -16.885
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -8.026
tors. eta vs tors. theta energy: -18.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -191.526329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.526329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.526329 (E_RNA)
where:
Base-Base interactions energy: -115.922
where: short stacking energy: -59.798
Base-Backbone interact. energy: -0.138
local terms energy: -75.467093
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -14.421
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -10.099
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: 5, replica: 9
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -192.776743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.776743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.776743 (E_RNA)
where:
Base-Base interactions energy: -123.833
where: short stacking energy: -69.113
Base-Backbone interact. energy: 0.504
local terms energy: -69.447869
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -7.633
flat angles C4'-P-C4' energy: -15.313
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -19.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -181.846705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.846705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.846705 (E_RNA)
where:
Base-Base interactions energy: -118.950
where: short stacking energy: -46.801
Base-Backbone interact. energy: -0.172
local terms energy: -62.724348
where:
bonds (distance) C4'-P energy: -17.448
bonds (distance) P-C4' energy: -12.223
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -5.945
tors. eta vs tors. theta energy: -11.006
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: 1
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -150.059677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.059677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.059677 (E_RNA)
where:
Base-Base interactions energy: -78.901
where: short stacking energy: -49.634
Base-Backbone interact. energy: -0.185
local terms energy: -70.974585
where:
bonds (distance) C4'-P energy: -16.284
bonds (distance) P-C4' energy: -17.818
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -11.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -190.611991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.611991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.611991 (E_RNA)
where:
Base-Base interactions energy: -118.723
where: short stacking energy: -53.025
Base-Backbone interact. energy: -0.235
local terms energy: -71.654037
where:
bonds (distance) C4'-P energy: -14.469
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: -14.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -100.363447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.363447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.363447 (E_RNA)
where:
Base-Base interactions energy: -48.650
where: short stacking energy: -36.397
Base-Backbone interact. energy: -0.293
local terms energy: -51.420932
where:
bonds (distance) C4'-P energy: -11.417
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -11.685
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -4.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -94.926516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.926516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.926516 (E_RNA)
where:
Base-Base interactions energy: -37.068
where: short stacking energy: -32.896
Base-Backbone interact. energy: -1.520
local terms energy: -56.338102
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -4.979
tors. eta vs tors. theta energy: -8.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -242.474550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.474550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.474550 (E_RNA)
where:
Base-Base interactions energy: -155.157
where: short stacking energy: -69.326
Base-Backbone interact. energy: -0.400
local terms energy: -86.917945
where:
bonds (distance) C4'-P energy: -17.465
bonds (distance) P-C4' energy: -17.328
flat angles C4'-P-C4' energy: -17.338
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: -22.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -234.046814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.046814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.046814 (E_RNA)
where:
Base-Base interactions energy: -162.254
where: short stacking energy: -68.938
Base-Backbone interact. energy: -0.233
local terms energy: -71.560134
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -15.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -218.525861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.525861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.525861 (E_RNA)
where:
Base-Base interactions energy: -139.394
where: short stacking energy: -81.239
Base-Backbone interact. energy: -0.101
local terms energy: -79.031117
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -14.298
flat angles C4'-P-C4' energy: -17.694
flat angles P-C4'-P energy: -12.909
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: 5
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -182.931299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.931299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.931299 (E_RNA)
where:
Base-Base interactions energy: -111.761
where: short stacking energy: -55.369
Base-Backbone interact. energy: -0.087
local terms energy: -71.083408
where:
bonds (distance) C4'-P energy: -18.526
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: -14.391
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: 9
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -178.116292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.116292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.116292 (E_RNA)
where:
Base-Base interactions energy: -112.644
where: short stacking energy: -42.027
Base-Backbone interact. energy: -0.240
local terms energy: -65.231784
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -15.012
flat angles C4'-P-C4' energy: -17.856
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -7.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -181.426846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.426846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.426846 (E_RNA)
where:
Base-Base interactions energy: -110.048
where: short stacking energy: -52.219
Base-Backbone interact. energy: -0.239
local terms energy: -71.140111
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -16.954
flat angles C4'-P-C4' energy: -12.780
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -13.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -156.617453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.617453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.617453 (E_RNA)
where:
Base-Base interactions energy: -99.116
where: short stacking energy: -45.670
Base-Backbone interact. energy: 1.070
local terms energy: -58.571465
where:
bonds (distance) C4'-P energy: -16.872
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -3.809
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: 4
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -187.749869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.749869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.749869 (E_RNA)
where:
Base-Base interactions energy: -113.360
where: short stacking energy: -44.821
Base-Backbone interact. energy: -0.115
local terms energy: -74.274698
where:
bonds (distance) C4'-P energy: -17.941
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -14.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -101.936235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.936235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.936235 (E_RNA)
where:
Base-Base interactions energy: -43.831
where: short stacking energy: -35.015
Base-Backbone interact. energy: 0.258
local terms energy: -58.362816
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -3.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -84.712450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.712450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.712450 (E_RNA)
where:
Base-Base interactions energy: -28.853
where: short stacking energy: -19.051
Base-Backbone interact. energy: -0.200
local terms energy: -55.658901
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -19.260
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: 1.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -236.481823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.481823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.481823 (E_RNA)
where:
Base-Base interactions energy: -149.473
where: short stacking energy: -67.231
Base-Backbone interact. energy: -0.183
local terms energy: -86.825367
where:
bonds (distance) C4'-P energy: -18.181
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -20.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -224.438230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.438230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.438230 (E_RNA)
where:
Base-Base interactions energy: -141.570
where: short stacking energy: -64.251
Base-Backbone interact. energy: -0.097
local terms energy: -82.771680
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -17.501
flat angles C4'-P-C4' energy: -19.171
flat angles P-C4'-P energy: -13.339
tors. eta vs tors. theta energy: -15.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -225.463265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.463265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.463265 (E_RNA)
where:
Base-Base interactions energy: -140.821
where: short stacking energy: -70.271
Base-Backbone interact. energy: -0.101
local terms energy: -84.541142
where:
bonds (distance) C4'-P energy: -17.174
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -18.853
flat angles P-C4'-P energy: -13.660
tors. eta vs tors. theta energy: -19.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -208.736018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.736018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.736018 (E_RNA)
where:
Base-Base interactions energy: -134.048
where: short stacking energy: -64.123
Base-Backbone interact. energy: -0.014
local terms energy: -74.674751
where:
bonds (distance) C4'-P energy: -9.654
bonds (distance) P-C4' energy: -18.970
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -19.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -181.282818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.282818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.282818 (E_RNA)
where:
Base-Base interactions energy: -110.899
where: short stacking energy: -55.431
Base-Backbone interact. energy: -0.129
local terms energy: -70.254911
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -12.226
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: 6, replica: 9
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -178.076631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.076631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.076631 (E_RNA)
where:
Base-Base interactions energy: -100.108
where: short stacking energy: -51.817
Base-Backbone interact. energy: -0.189
local terms energy: -77.779455
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -16.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -139.959695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.959695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.959695 (E_RNA)
where:
Base-Base interactions energy: -79.010
where: short stacking energy: -54.792
Base-Backbone interact. energy: -0.065
local terms energy: -60.884337
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -7.720
tors. eta vs tors. theta energy: -13.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -145.520470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.520470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.520470 (E_RNA)
where:
Base-Base interactions energy: -85.921
where: short stacking energy: -34.144
Base-Backbone interact. energy: -0.350
local terms energy: -59.248707
where:
bonds (distance) C4'-P energy: -18.969
bonds (distance) P-C4' energy: -12.472
flat angles C4'-P-C4' energy: -18.698
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: 1.008
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: 10
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -132.365438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.365438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.365438 (E_RNA)
where:
Base-Base interactions energy: -85.925
where: short stacking energy: -31.445
Base-Backbone interact. energy: -0.143
local terms energy: -46.297633
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -7.286
tors. eta vs tors. theta energy: -3.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -83.770089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.770089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.770089 (E_RNA)
where:
Base-Base interactions energy: -29.502
where: short stacking energy: -21.436
Base-Backbone interact. energy: -0.304
local terms energy: -53.963816
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -17.366
flat angles C4'-P-C4' energy: -12.527
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: -2.362
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: 6
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -241.085166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.085166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.085166 (E_RNA)
where:
Base-Base interactions energy: -156.758
where: short stacking energy: -75.838
Base-Backbone interact. energy: -0.381
local terms energy: -83.945898
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -18.384
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -12.749
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: 2, replica: 8
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -231.684986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.684986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.684986 (E_RNA)
where:
Base-Base interactions energy: -157.175
where: short stacking energy: -64.729
Base-Backbone interact. energy: -0.929
local terms energy: -73.581338
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -18.790
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -13.053
tors. eta vs tors. theta energy: -12.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -210.135377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.135377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.135377 (E_RNA)
where:
Base-Base interactions energy: -131.645
where: short stacking energy: -67.411
Base-Backbone interact. energy: -0.049
local terms energy: -78.441055
where:
bonds (distance) C4'-P energy: -13.011
bonds (distance) P-C4' energy: -18.112
flat angles C4'-P-C4' energy: -18.897
flat angles P-C4'-P energy: -13.059
tors. eta vs tors. theta energy: -15.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -209.786238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.786238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.786238 (E_RNA)
where:
Base-Base interactions energy: -131.550
where: short stacking energy: -74.257
Base-Backbone interact. energy: -0.409
local terms energy: -77.827279
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -18.043
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -16.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -183.279731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.279731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.279731 (E_RNA)
where:
Base-Base interactions energy: -108.522
where: short stacking energy: -58.522
Base-Backbone interact. energy: 0.363
local terms energy: -75.121050
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -16.369
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -8.649
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: 6, replica: 9
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -168.499457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.499457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.499457 (E_RNA)
where:
Base-Base interactions energy: -96.673
where: short stacking energy: -51.636
Base-Backbone interact. energy: -0.107
local terms energy: -71.719355
where:
bonds (distance) C4'-P energy: -18.822
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -11.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -173.506768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.506768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.506768 (E_RNA)
where:
Base-Base interactions energy: -106.045
where: short stacking energy: -52.515
Base-Backbone interact. energy: 1.335
local terms energy: -68.797138
where:
bonds (distance) C4'-P energy: -16.295
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -14.146
tors. eta vs tors. theta energy: -9.207
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: 8, replica: 4
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -146.673997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.673997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.673997 (E_RNA)
where:
Base-Base interactions energy: -83.848
where: short stacking energy: -51.012
Base-Backbone interact. energy: -0.129
local terms energy: -62.697662
where:
bonds (distance) C4'-P energy: -18.848
bonds (distance) P-C4' energy: -17.291
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -3.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -147.528439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.528439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.528439 (E_RNA)
where:
Base-Base interactions energy: -85.363
where: short stacking energy: -50.302
Base-Backbone interact. energy: -0.155
local terms energy: -62.010067
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -10.961
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -11.860
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: 7
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -90.809420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.809420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.809420 (E_RNA)
where:
Base-Base interactions energy: -39.391
where: short stacking energy: -34.638
Base-Backbone interact. energy: -0.935
local terms energy: -50.483772
where:
bonds (distance) C4'-P energy: -8.312
bonds (distance) P-C4' energy: -13.764
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -7.104
tors. eta vs tors. theta energy: -4.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -250.290842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.290842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.290842 (E_RNA)
where:
Base-Base interactions energy: -162.769
where: short stacking energy: -69.401
Base-Backbone interact. energy: -0.181
local terms energy: -87.341238
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -19.317
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -22.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -229.789112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.789112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.789112 (E_RNA)
where:
Base-Base interactions energy: -151.364
where: short stacking energy: -67.511
Base-Backbone interact. energy: -0.111
local terms energy: -78.313827
where:
bonds (distance) C4'-P energy: -18.657
bonds (distance) P-C4' energy: -17.903
flat angles C4'-P-C4' energy: -18.012
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -15.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -211.658237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.658237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.658237 (E_RNA)
where:
Base-Base interactions energy: -125.761
where: short stacking energy: -72.288
Base-Backbone interact. energy: -0.073
local terms energy: -85.824164
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -17.922
flat angles C4'-P-C4' energy: -19.691
flat angles P-C4'-P energy: -13.671
tors. eta vs tors. theta energy: -19.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -203.432832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.432832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.432832 (E_RNA)
where:
Base-Base interactions energy: -126.463
where: short stacking energy: -64.519
Base-Backbone interact. energy: -0.275
local terms energy: -76.695257
where:
bonds (distance) C4'-P energy: -15.492
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -19.226
flat angles P-C4'-P energy: -7.756
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: 5, replica: 9
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -186.379661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.379661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.379661 (E_RNA)
where:
Base-Base interactions energy: -114.509
where: short stacking energy: -64.779
Base-Backbone interact. energy: -0.097
local terms energy: -71.773979
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -19.262
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -13.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -176.327804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.327804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.327804 (E_RNA)
where:
Base-Base interactions energy: -105.345
where: short stacking energy: -53.152
Base-Backbone interact. energy: -0.216
local terms energy: -70.766339
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -18.548
flat angles P-C4'-P energy: -11.021
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: 7, replica: 1
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -183.800506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.800506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.800506 (E_RNA)
where:
Base-Base interactions energy: -98.963
where: short stacking energy: -67.485
Base-Backbone interact. energy: -0.604
local terms energy: -84.233048
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -18.704
flat angles P-C4'-P energy: -12.812
tors. eta vs tors. theta energy: -18.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -148.297045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.297045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.297045 (E_RNA)
where:
Base-Base interactions energy: -79.280
where: short stacking energy: -43.845
Base-Backbone interact. energy: -0.283
local terms energy: -68.733563
where:
bonds (distance) C4'-P energy: -17.721
bonds (distance) P-C4' energy: -16.968
flat angles C4'-P-C4' energy: -18.063
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: -7.824
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: 10
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -168.039729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.039729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.039729 (E_RNA)
where:
Base-Base interactions energy: -105.304
where: short stacking energy: -65.721
Base-Backbone interact. energy: -0.079
local terms energy: -62.656310
where:
bonds (distance) C4'-P energy: -5.012
bonds (distance) P-C4' energy: -14.058
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -17.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -97.128781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.128781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.128781 (E_RNA)
where:
Base-Base interactions energy: -46.838
where: short stacking energy: -24.980
Base-Backbone interact. energy: -0.299
local terms energy: -49.991560
where:
bonds (distance) C4'-P energy: -16.721
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -4.894
tors. eta vs tors. theta energy: 1.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -240.683356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.683356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.683356 (E_RNA)
where:
Base-Base interactions energy: -157.287
where: short stacking energy: -77.488
Base-Backbone interact. energy: -0.442
local terms energy: -82.954635
where:
bonds (distance) C4'-P energy: -18.186
bonds (distance) P-C4' energy: -16.066
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: -21.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -228.004178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.004178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.004178 (E_RNA)
where:
Base-Base interactions energy: -140.928
where: short stacking energy: -78.649
Base-Backbone interact. energy: -0.073
local terms energy: -87.003457
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -19.963
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -23.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -232.994219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.994219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.994219 (E_RNA)
where:
Base-Base interactions energy: -159.171
where: short stacking energy: -75.068
Base-Backbone interact. energy: -0.102
local terms energy: -73.720615
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -18.664
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -5.664
tors. eta vs tors. theta energy: -17.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -183.333164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.333164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.333164 (E_RNA)
where:
Base-Base interactions energy: -106.146
where: short stacking energy: -54.749
Base-Backbone interact. energy: -0.002
local terms energy: -77.184462
where:
bonds (distance) C4'-P energy: -16.861
bonds (distance) P-C4' energy: -18.577
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -12.545
tors. eta vs tors. theta energy: -14.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -200.895426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.895426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.895426 (E_RNA)
where:
Base-Base interactions energy: -127.239
where: short stacking energy: -61.438
Base-Backbone interact. energy: -0.405
local terms energy: -73.251120
where:
bonds (distance) C4'-P energy: -15.556
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -19.264
flat angles P-C4'-P energy: -3.109
tors. eta vs tors. theta energy: -18.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -185.510233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.510233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.510233 (E_RNA)
where:
Base-Base interactions energy: -119.464
where: short stacking energy: -59.117
Base-Backbone interact. energy: -0.017
local terms energy: -66.029964
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -17.850
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -7.625
tors. eta vs tors. theta energy: -15.022
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: 7, replica: 1
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -181.812972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.812972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.812972 (E_RNA)
where:
Base-Base interactions energy: -103.541
where: short stacking energy: -55.362
Base-Backbone interact. energy: -0.024
local terms energy: -78.247936
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -16.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -147.159926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.159926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.159926 (E_RNA)
where:
Base-Base interactions energy: -106.249
where: short stacking energy: -41.669
Base-Backbone interact. energy: 1.579
local terms energy: -42.489221
where:
bonds (distance) C4'-P energy: -5.690
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -3.076
tors. eta vs tors. theta energy: -3.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -145.988286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.988286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.988286 (E_RNA)
where:
Base-Base interactions energy: -82.629
where: short stacking energy: -48.886
Base-Backbone interact. energy: -0.272
local terms energy: -63.087346
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -10.941
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -9.303
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: 337
Temperature: 1.350000
Total energy: -86.630316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.630316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.630316 (E_RNA)
where:
Base-Base interactions energy: -43.692
where: short stacking energy: -35.971
Base-Backbone interact. energy: 2.211
local terms energy: -45.149554
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -9.959
flat angles P-C4'-P energy: -6.670
tors. eta vs tors. theta energy: -3.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -240.366096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.366096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.366096 (E_RNA)
where:
Base-Base interactions energy: -158.661
where: short stacking energy: -72.137
Base-Backbone interact. energy: -0.267
local terms energy: -81.437832
where:
bonds (distance) C4'-P energy: -17.026
bonds (distance) P-C4' energy: -17.108
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -13.245
tors. eta vs tors. theta energy: -17.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -217.492283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.492283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.492283 (E_RNA)
where:
Base-Base interactions energy: -139.307
where: short stacking energy: -68.492
Base-Backbone interact. energy: -0.158
local terms energy: -78.027625
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -19.859
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -20.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -217.082322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.082322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.082322 (E_RNA)
where:
Base-Base interactions energy: -133.580
where: short stacking energy: -65.500
Base-Backbone interact. energy: -0.073
local terms energy: -83.429136
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -20.058
flat angles C4'-P-C4' energy: -18.985
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -14.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -188.615154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.615154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.615154 (E_RNA)
where:
Base-Base interactions energy: -107.885
where: short stacking energy: -68.281
Base-Backbone interact. energy: -0.139
local terms energy: -80.591292
where:
bonds (distance) C4'-P energy: -10.301
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -20.907
flat angles P-C4'-P energy: -15.712
tors. eta vs tors. theta energy: -19.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -192.003808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.003808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.003808 (E_RNA)
where:
Base-Base interactions energy: -116.822
where: short stacking energy: -73.822
Base-Backbone interact. energy: -0.117
local terms energy: -75.064627
where:
bonds (distance) C4'-P energy: -18.830
bonds (distance) P-C4' energy: -7.415
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -13.322
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: 6, replica: 2
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -187.191633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.191633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.191633 (E_RNA)
where:
Base-Base interactions energy: -117.174
where: short stacking energy: -62.545
Base-Backbone interact. energy: -0.112
local terms energy: -69.906322
where:
bonds (distance) C4'-P energy: -19.104
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -7.204
tors. eta vs tors. theta energy: -14.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -154.943744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.943744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.943744 (E_RNA)
where:
Base-Base interactions energy: -84.498
where: short stacking energy: -42.545
Base-Backbone interact. energy: -0.017
local terms energy: -70.428693
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -19.402
flat angles P-C4'-P energy: -3.197
tors. eta vs tors. theta energy: -15.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -175.640792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.640792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.640792 (E_RNA)
where:
Base-Base interactions energy: -100.705
where: short stacking energy: -53.486
Base-Backbone interact. energy: -0.702
local terms energy: -74.234232
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -14.394
tors. eta vs tors. theta energy: -10.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -80.975050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.975050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.975050 (E_RNA)
where:
Base-Base interactions energy: -26.257
where: short stacking energy: -22.172
Base-Backbone interact. energy: -0.195
local terms energy: -54.522612
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -12.419
flat angles P-C4'-P energy: -5.470
tors. eta vs tors. theta energy: -2.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -126.860443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.860443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.860443 (E_RNA)
where:
Base-Base interactions energy: -78.702
where: short stacking energy: -36.358
Base-Backbone interact. energy: -0.108
local terms energy: -48.050356
where:
bonds (distance) C4'-P energy: -6.370
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -9.852
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -4.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -241.296678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.296678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.296678 (E_RNA)
where:
Base-Base interactions energy: -154.469
where: short stacking energy: -66.829
Base-Backbone interact. energy: -0.243
local terms energy: -86.584896
where:
bonds (distance) C4'-P energy: -18.156
bonds (distance) P-C4' energy: -20.169
flat angles C4'-P-C4' energy: -16.903
flat angles P-C4'-P energy: -12.898
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: 2, replica: 8
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -235.660074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.660074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.660074 (E_RNA)
where:
Base-Base interactions energy: -154.793
where: short stacking energy: -67.714
Base-Backbone interact. energy: -0.675
local terms energy: -80.192534
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -18.936
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -17.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -199.878666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.878666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.878666 (E_RNA)
where:
Base-Base interactions energy: -122.204
where: short stacking energy: -69.877
Base-Backbone interact. energy: -0.011
local terms energy: -77.664050
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -16.509
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -18.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -194.670249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.670249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.670249 (E_RNA)
where:
Base-Base interactions energy: -115.374
where: short stacking energy: -55.093
Base-Backbone interact. energy: -0.325
local terms energy: -78.970678
where:
bonds (distance) C4'-P energy: -18.797
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -17.895
flat angles P-C4'-P energy: -7.430
tors. eta vs tors. theta energy: -15.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -222.618081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.618081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.618081 (E_RNA)
where:
Base-Base interactions energy: -135.575
where: short stacking energy: -74.318
Base-Backbone interact. energy: -0.071
local terms energy: -86.972818
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -18.517
flat angles C4'-P-C4' energy: -18.751
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -20.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -184.768637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.768637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.768637 (E_RNA)
where:
Base-Base interactions energy: -113.198
where: short stacking energy: -59.509
Base-Backbone interact. energy: -0.626
local terms energy: -70.944114
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -15.125
tors. eta vs tors. theta energy: -12.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -152.224856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.224856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.224856 (E_RNA)
where:
Base-Base interactions energy: -92.804
where: short stacking energy: -43.178
Base-Backbone interact. energy: -0.156
local terms energy: -59.264620
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -11.767
flat angles P-C4'-P energy: -3.295
tors. eta vs tors. theta energy: -12.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -181.214463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.214463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.214463 (E_RNA)
where:
Base-Base interactions energy: -114.788
where: short stacking energy: -54.410
Base-Backbone interact. energy: -0.047
local terms energy: -66.379875
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -18.282
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -8.856
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: 7
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -96.700578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.700578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.700578 (E_RNA)
where:
Base-Base interactions energy: -37.783
where: short stacking energy: -21.738
Base-Backbone interact. energy: 5.699
local terms energy: -64.617119
where:
bonds (distance) C4'-P energy: -18.202
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -3.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -86.639132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.639132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.639132 (E_RNA)
where:
Base-Base interactions energy: -32.081
where: short stacking energy: -29.729
Base-Backbone interact. energy: -0.373
local terms energy: -54.184859
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -9.713
flat angles C4'-P-C4' energy: -12.665
flat angles P-C4'-P energy: -11.065
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: 1, replica: 8
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -238.024936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.024936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.024936 (E_RNA)
where:
Base-Base interactions energy: -154.239
where: short stacking energy: -72.444
Base-Backbone interact. energy: -0.073
local terms energy: -83.713489
where:
bonds (distance) C4'-P energy: -17.737
bonds (distance) P-C4' energy: -17.063
flat angles C4'-P-C4' energy: -18.706
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -17.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -245.595600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.595600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.595600 (E_RNA)
where:
Base-Base interactions energy: -158.529
where: short stacking energy: -77.217
Base-Backbone interact. energy: -0.322
local terms energy: -86.744350
where:
bonds (distance) C4'-P energy: -18.595
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -17.100
flat angles P-C4'-P energy: -14.100
tors. eta vs tors. theta energy: -21.477
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: 3
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -200.791678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.791678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.791678 (E_RNA)
where:
Base-Base interactions energy: -130.811
where: short stacking energy: -59.803
Base-Backbone interact. energy: -0.335
local terms energy: -69.646090
where:
bonds (distance) C4'-P energy: -17.540
bonds (distance) P-C4' energy: -9.454
flat angles C4'-P-C4' energy: -17.634
flat angles P-C4'-P energy: -4.937
tors. eta vs tors. theta energy: -20.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -208.842323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.842323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.842323 (E_RNA)
where:
Base-Base interactions energy: -135.295
where: short stacking energy: -58.624
Base-Backbone interact. energy: -0.187
local terms energy: -73.359776
where:
bonds (distance) C4'-P energy: -18.516
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -8.048
tors. eta vs tors. theta energy: -15.269
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: 2
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -179.543444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.543444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.543444 (E_RNA)
where:
Base-Base interactions energy: -103.018
where: short stacking energy: -46.968
Base-Backbone interact. energy: -0.068
local terms energy: -76.457273
where:
bonds (distance) C4'-P energy: -17.066
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -13.558
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: 6, replica: 9
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -179.018194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.018194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.018194 (E_RNA)
where:
Base-Base interactions energy: -113.584
where: short stacking energy: -58.901
Base-Backbone interact. energy: -0.017
local terms energy: -65.416432
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: -12.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -145.441833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.441833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.441833 (E_RNA)
where:
Base-Base interactions energy: -85.854
where: short stacking energy: -52.006
Base-Backbone interact. energy: -0.027
local terms energy: -59.561146
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -20.147
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -2.627
tors. eta vs tors. theta energy: -10.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -149.680555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.680555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.680555 (E_RNA)
where:
Base-Base interactions energy: -81.662
where: short stacking energy: -40.685
Base-Backbone interact. energy: -0.292
local terms energy: -67.726513
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -11.057
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: 4
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -90.446229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.446229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.446229 (E_RNA)
where:
Base-Base interactions energy: -32.449
where: short stacking energy: -26.612
Base-Backbone interact. energy: 0.356
local terms energy: -58.353436
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -7.499
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: 10, replica: 7
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -99.089311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.089311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.089311 (E_RNA)
where:
Base-Base interactions energy: -36.946
where: short stacking energy: -35.432
Base-Backbone interact. energy: -0.037
local terms energy: -62.106094
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -9.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -245.752674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.752674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.752674 (E_RNA)
where:
Base-Base interactions energy: -153.853
where: short stacking energy: -77.268
Base-Backbone interact. energy: -0.100
local terms energy: -91.799653
where:
bonds (distance) C4'-P energy: -18.441
bonds (distance) P-C4' energy: -21.116
flat angles C4'-P-C4' energy: -19.288
flat angles P-C4'-P energy: -12.909
tors. eta vs tors. theta energy: -20.045
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: 3
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -215.261894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.261894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.261894 (E_RNA)
where:
Base-Base interactions energy: -137.788
where: short stacking energy: -59.181
Base-Backbone interact. energy: -0.125
local terms energy: -77.348497
where:
bonds (distance) C4'-P energy: -16.120
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -15.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -237.768374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.768374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.768374 (E_RNA)
where:
Base-Base interactions energy: -158.154
where: short stacking energy: -64.471
Base-Backbone interact. energy: -0.290
local terms energy: -79.324470
where:
bonds (distance) C4'-P energy: -16.485
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -18.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -204.660418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.660418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.660418 (E_RNA)
where:
Base-Base interactions energy: -129.444
where: short stacking energy: -60.937
Base-Backbone interact. energy: 0.244
local terms energy: -75.461082
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -12.028
flat angles C4'-P-C4' energy: -17.910
flat angles P-C4'-P energy: -13.773
tors. eta vs tors. theta energy: -16.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -195.944468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.944468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.944468 (E_RNA)
where:
Base-Base interactions energy: -125.715
where: short stacking energy: -61.826
Base-Backbone interact. energy: -0.624
local terms energy: -69.604666
where:
bonds (distance) C4'-P energy: -10.633
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -20.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -162.892122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.892122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.892122 (E_RNA)
where:
Base-Base interactions energy: -90.426
where: short stacking energy: -64.105
Base-Backbone interact. energy: -0.006
local terms energy: -72.459553
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -19.977
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -9.514
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: 9
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -182.147433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.147433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.147433 (E_RNA)
where:
Base-Base interactions energy: -113.192
where: short stacking energy: -54.863
Base-Backbone interact. energy: -0.048
local terms energy: -68.907606
where:
bonds (distance) C4'-P energy: -10.121
bonds (distance) P-C4' energy: -20.401
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -12.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -156.326541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.326541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.326541 (E_RNA)
where:
Base-Base interactions energy: -89.144
where: short stacking energy: -57.901
Base-Backbone interact. energy: -0.607
local terms energy: -66.575838
where:
bonds (distance) C4'-P energy: -14.411
bonds (distance) P-C4' energy: -15.823
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -6.884
tors. eta vs tors. theta energy: -16.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -92.583091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.583091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.583091 (E_RNA)
where:
Base-Base interactions energy: -37.936
where: short stacking energy: -29.431
Base-Backbone interact. energy: -0.122
local terms energy: -54.524872
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -3.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -88.248351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.248351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.248351 (E_RNA)
where:
Base-Base interactions energy: -40.154
where: short stacking energy: -40.154
Base-Backbone interact. energy: -0.156
local terms energy: -47.937744
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -8.337
flat angles P-C4'-P energy: -3.013
tors. eta vs tors. theta energy: -9.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -214.646825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.646825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.646825 (E_RNA)
where:
Base-Base interactions energy: -139.777
where: short stacking energy: -66.661
Base-Backbone interact. energy: -0.097
local terms energy: -74.772854
where:
bonds (distance) C4'-P energy: -8.800
bonds (distance) P-C4' energy: -19.684
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -12.230
tors. eta vs tors. theta energy: -18.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -235.647642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.647642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.647642 (E_RNA)
where:
Base-Base interactions energy: -153.587
where: short stacking energy: -75.897
Base-Backbone interact. energy: 0.116
local terms energy: -82.176289
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -17.332
flat angles C4'-P-C4' energy: -18.009
flat angles P-C4'-P energy: -11.751
tors. eta vs tors. theta energy: -20.013
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: 342
Temperature: 1.000000
Total energy: -230.444701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.444701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.444701 (E_RNA)
where:
Base-Base interactions energy: -143.957
where: short stacking energy: -67.677
Base-Backbone interact. energy: -0.592
local terms energy: -85.895643
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -14.753
tors. eta vs tors. theta energy: -19.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -202.696961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.696961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.696961 (E_RNA)
where:
Base-Base interactions energy: -130.939
where: short stacking energy: -53.031
Base-Backbone interact. energy: 1.713
local terms energy: -73.471042
where:
bonds (distance) C4'-P energy: -17.084
bonds (distance) P-C4' energy: -17.963
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -12.776
tors. eta vs tors. theta energy: -12.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -191.068668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.068668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.068668 (E_RNA)
where:
Base-Base interactions energy: -116.951
where: short stacking energy: -60.845
Base-Backbone interact. energy: -0.803
local terms energy: -73.313880
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -19.185
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -16.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -154.827404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.827404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.827404 (E_RNA)
where:
Base-Base interactions energy: -80.920
where: short stacking energy: -35.855
Base-Backbone interact. energy: -0.480
local terms energy: -73.428164
where:
bonds (distance) C4'-P energy: -19.254
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -13.313
tors. eta vs tors. theta energy: -7.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -161.141989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.141989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.141989 (E_RNA)
where:
Base-Base interactions energy: -93.002
where: short stacking energy: -58.860
Base-Backbone interact. energy: -0.169
local terms energy: -67.970836
where:
bonds (distance) C4'-P energy: -10.551
bonds (distance) P-C4' energy: -19.492
flat angles C4'-P-C4' energy: -11.797
flat angles P-C4'-P energy: -11.694
tors. eta vs tors. theta energy: -14.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -167.443049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.443049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.443049 (E_RNA)
where:
Base-Base interactions energy: -107.783
where: short stacking energy: -42.497
Base-Backbone interact. energy: -0.460
local terms energy: -59.199571
where:
bonds (distance) C4'-P energy: -17.899
bonds (distance) P-C4' energy: -6.302
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: -11.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -95.589151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.589151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.589151 (E_RNA)
where:
Base-Base interactions energy: -38.301
where: short stacking energy: -38.301
Base-Backbone interact. energy: 0.298
local terms energy: -57.585838
where:
bonds (distance) C4'-P energy: -13.311
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -7.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -92.754744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.754744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.754744 (E_RNA)
where:
Base-Base interactions energy: -36.036
where: short stacking energy: -26.485
Base-Backbone interact. energy: -0.105
local terms energy: -56.613928
where:
bonds (distance) C4'-P energy: -7.525
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: -9.315
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: 343
Temperature: 0.900000
Total energy: -222.606126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.606126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.606126 (E_RNA)
where:
Base-Base interactions energy: -146.237
where: short stacking energy: -66.678
Base-Backbone interact. energy: -0.427
local terms energy: -75.941467
where:
bonds (distance) C4'-P energy: -10.340
bonds (distance) P-C4' energy: -18.194
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -19.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -237.946439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.946439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.946439 (E_RNA)
where:
Base-Base interactions energy: -152.740
where: short stacking energy: -81.222
Base-Backbone interact. energy: -0.081
local terms energy: -85.124871
where:
bonds (distance) C4'-P energy: -19.179
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -19.482
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -22.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -228.512721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.512721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.512721 (E_RNA)
where:
Base-Base interactions energy: -153.408
where: short stacking energy: -74.914
Base-Backbone interact. energy: -0.222
local terms energy: -74.882909
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -18.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -210.482533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.482533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.482533 (E_RNA)
where:
Base-Base interactions energy: -138.644
where: short stacking energy: -55.094
Base-Backbone interact. energy: -0.226
local terms energy: -71.612538
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -19.386
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -3.793
tors. eta vs tors. theta energy: -14.480
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: 5
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -201.101066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.101066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.101066 (E_RNA)
where:
Base-Base interactions energy: -120.327
where: short stacking energy: -67.131
Base-Backbone interact. energy: 0.596
local terms energy: -81.370036
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -19.053
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -18.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -163.625371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.625371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.625371 (E_RNA)
where:
Base-Base interactions energy: -101.440
where: short stacking energy: -46.045
Base-Backbone interact. energy: -0.151
local terms energy: -62.035053
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -10.266
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -11.881
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: 1
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -150.125596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.125596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.125596 (E_RNA)
where:
Base-Base interactions energy: -90.636
where: short stacking energy: -34.216
Base-Backbone interact. energy: 0.016
local terms energy: -59.505998
where:
bonds (distance) C4'-P energy: -18.065
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -11.576
flat angles P-C4'-P energy: -7.104
tors. eta vs tors. theta energy: -5.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -166.829027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.829027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.829027 (E_RNA)
where:
Base-Base interactions energy: -99.570
where: short stacking energy: -40.143
Base-Backbone interact. energy: -0.065
local terms energy: -67.193304
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -18.287
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -10.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -85.831568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.831568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.831568 (E_RNA)
where:
Base-Base interactions energy: -23.596
where: short stacking energy: -23.596
Base-Backbone interact. energy: 0.486
local terms energy: -62.721416
where:
bonds (distance) C4'-P energy: -13.773
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -13.638
tors. eta vs tors. theta energy: -3.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -80.911876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.911876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.911876 (E_RNA)
where:
Base-Base interactions energy: -31.886
where: short stacking energy: -31.886
Base-Backbone interact. energy: -0.736
local terms energy: -48.289990
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -4.763
tors. eta vs tors. theta energy: 1.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -239.218737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.218737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.218737 (E_RNA)
where:
Base-Base interactions energy: -148.765
where: short stacking energy: -73.167
Base-Backbone interact. energy: -0.310
local terms energy: -90.144347
where:
bonds (distance) C4'-P energy: -18.197
bonds (distance) P-C4' energy: -19.696
flat angles C4'-P-C4' energy: -18.194
flat angles P-C4'-P energy: -13.117
tors. eta vs tors. theta energy: -20.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -208.631728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.631728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.631728 (E_RNA)
where:
Base-Base interactions energy: -136.574
where: short stacking energy: -65.398
Base-Backbone interact. energy: -0.092
local terms energy: -71.966045
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -15.774
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: 3, replica: 6
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -226.812177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.812177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.812177 (E_RNA)
where:
Base-Base interactions energy: -148.776
where: short stacking energy: -71.881
Base-Backbone interact. energy: -0.596
local terms energy: -77.439888
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -16.545
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -20.586
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: 2
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -209.389884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.389884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.389884 (E_RNA)
where:
Base-Base interactions energy: -143.482
where: short stacking energy: -60.148
Base-Backbone interact. energy: -0.334
local terms energy: -65.574009
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -11.607
flat angles C4'-P-C4' energy: -17.739
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -12.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -170.156230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.156230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.156230 (E_RNA)
where:
Base-Base interactions energy: -100.511
where: short stacking energy: -50.810
Base-Backbone interact. energy: -0.155
local terms energy: -69.490003
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -19.987
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -8.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -181.677011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.677011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.677011 (E_RNA)
where:
Base-Base interactions energy: -98.436
where: short stacking energy: -49.400
Base-Backbone interact. energy: -0.036
local terms energy: -83.204926
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -14.610
tors. eta vs tors. theta energy: -17.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -174.667456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.667456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.667456 (E_RNA)
where:
Base-Base interactions energy: -104.433
where: short stacking energy: -51.197
Base-Backbone interact. energy: 0.032
local terms energy: -70.267144
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -14.092
tors. eta vs tors. theta energy: -12.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -134.993042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.993042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.993042 (E_RNA)
where:
Base-Base interactions energy: -75.994
where: short stacking energy: -39.908
Base-Backbone interact. energy: 0.203
local terms energy: -59.201705
where:
bonds (distance) C4'-P energy: -12.523
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -18.506
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -4.314
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: 7
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -85.780293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.780293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.780293 (E_RNA)
where:
Base-Base interactions energy: -23.373
where: short stacking energy: -17.642
Base-Backbone interact. energy: 0.508
local terms energy: -62.915894
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -15.432
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -6.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -87.015458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.015458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.015458 (E_RNA)
where:
Base-Base interactions energy: -29.075
where: short stacking energy: -24.910
Base-Backbone interact. energy: -0.246
local terms energy: -57.695258
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -18.809
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -8.493
tors. eta vs tors. theta energy: -3.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -231.844687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.844687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.844687 (E_RNA)
where:
Base-Base interactions energy: -154.563
where: short stacking energy: -77.809
Base-Backbone interact. energy: -0.214
local terms energy: -77.068053
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -6.685
tors. eta vs tors. theta energy: -19.876
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: 6
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -235.124865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.124865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.124865 (E_RNA)
where:
Base-Base interactions energy: -154.502
where: short stacking energy: -78.416
Base-Backbone interact. energy: -0.714
local terms energy: -79.909139
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -19.285
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -24.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -200.485746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.485746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.485746 (E_RNA)
where:
Base-Base interactions energy: -121.254
where: short stacking energy: -67.182
Base-Backbone interact. energy: -0.266
local terms energy: -78.965684
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -14.013
tors. eta vs tors. theta energy: -12.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -192.544229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.544229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.544229 (E_RNA)
where:
Base-Base interactions energy: -117.039
where: short stacking energy: -58.647
Base-Backbone interact. energy: -0.158
local terms energy: -75.347232
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: -12.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -175.063688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.063688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.063688 (E_RNA)
where:
Base-Base interactions energy: -111.204
where: short stacking energy: -42.682
Base-Backbone interact. energy: -0.967
local terms energy: -62.892613
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -20.535
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -5.560
tors. eta vs tors. theta energy: -8.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -168.374353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.374353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.374353 (E_RNA)
where:
Base-Base interactions energy: -105.797
where: short stacking energy: -52.456
Base-Backbone interact. energy: 0.853
local terms energy: -63.430613
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -10.869
tors. eta vs tors. theta energy: -9.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -174.105903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.105903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.105903 (E_RNA)
where:
Base-Base interactions energy: -106.967
where: short stacking energy: -47.213
Base-Backbone interact. energy: -0.185
local terms energy: -66.953867
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -11.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -134.383196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.383196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.383196 (E_RNA)
where:
Base-Base interactions energy: -72.260
where: short stacking energy: -44.336
Base-Backbone interact. energy: -0.236
local terms energy: -61.887321
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -12.780
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -10.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -89.019155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.019155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.019155 (E_RNA)
where:
Base-Base interactions energy: -32.762
where: short stacking energy: -32.715
Base-Backbone interact. energy: -0.303
local terms energy: -55.953976
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -17.574
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -3.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -86.084927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.084927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.084927 (E_RNA)
where:
Base-Base interactions energy: -36.488
where: short stacking energy: -36.488
Base-Backbone interact. energy: -0.212
local terms energy: -49.384294
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -11.523
flat angles C4'-P-C4' energy: -9.753
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -2.580
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: 1, replica: 6
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -247.959078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.959078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.959078 (E_RNA)
where:
Base-Base interactions energy: -160.332
where: short stacking energy: -74.361
Base-Backbone interact. energy: 0.858
local terms energy: -88.484613
where:
bonds (distance) C4'-P energy: -17.792
bonds (distance) P-C4' energy: -19.287
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -15.364
tors. eta vs tors. theta energy: -19.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -230.855222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.855222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.855222 (E_RNA)
where:
Base-Base interactions energy: -149.585
where: short stacking energy: -68.643
Base-Backbone interact. energy: -0.231
local terms energy: -81.039426
where:
bonds (distance) C4'-P energy: -18.488
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -18.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -205.343314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.343314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.343314 (E_RNA)
where:
Base-Base interactions energy: -131.677
where: short stacking energy: -62.266
Base-Backbone interact. energy: -0.358
local terms energy: -73.308378
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -16.038
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -16.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -197.939272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.939272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.939272 (E_RNA)
where:
Base-Base interactions energy: -132.983
where: short stacking energy: -57.148
Base-Backbone interact. energy: -0.441
local terms energy: -64.514880
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -14.720
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -6.528
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: 5, replica: 10
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -191.562467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.562467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.562467 (E_RNA)
where:
Base-Base interactions energy: -119.271
where: short stacking energy: -58.774
Base-Backbone interact. energy: -0.057
local terms energy: -72.234249
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: -14.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -174.974499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.974499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.974499 (E_RNA)
where:
Base-Base interactions energy: -112.548
where: short stacking energy: -52.622
Base-Backbone interact. energy: -0.569
local terms energy: -61.857621
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -11.737
flat angles P-C4'-P energy: -11.154
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: 7, replica: 5
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -192.924909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.924909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.924909 (E_RNA)
where:
Base-Base interactions energy: -120.906
where: short stacking energy: -57.146
Base-Backbone interact. energy: 0.239
local terms energy: -72.258646
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -13.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -119.554661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.554661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.554661 (E_RNA)
where:
Base-Base interactions energy: -68.454
where: short stacking energy: -30.910
Base-Backbone interact. energy: -0.295
local terms energy: -50.805924
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -10.825
flat angles C4'-P-C4' energy: -12.878
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -0.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -86.069203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.069203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.069203 (E_RNA)
where:
Base-Base interactions energy: -33.893
where: short stacking energy: -33.893
Base-Backbone interact. energy: -0.289
local terms energy: -51.887876
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -18.526
flat angles P-C4'-P energy: -5.943
tors. eta vs tors. theta energy: 1.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -84.013267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.013267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.013267 (E_RNA)
where:
Base-Base interactions energy: -32.619
where: short stacking energy: -32.619
Base-Backbone interact. energy: -0.010
local terms energy: -51.384983
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -7.236
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: 1, replica: 6
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -248.123139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.123139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.123139 (E_RNA)
where:
Base-Base interactions energy: -160.429
where: short stacking energy: -68.581
Base-Backbone interact. energy: 0.892
local terms energy: -88.586076
where:
bonds (distance) C4'-P energy: -20.565
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -17.172
flat angles P-C4'-P energy: -13.641
tors. eta vs tors. theta energy: -20.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -238.110114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.110114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.110114 (E_RNA)
where:
Base-Base interactions energy: -154.535
where: short stacking energy: -74.258
Base-Backbone interact. energy: -0.103
local terms energy: -83.471399
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -19.179
flat angles C4'-P-C4' energy: -18.819
flat angles P-C4'-P energy: -9.873
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: 3, replica: 3
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -201.137510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.137510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.137510 (E_RNA)
where:
Base-Base interactions energy: -129.212
where: short stacking energy: -68.318
Base-Backbone interact. energy: -0.070
local terms energy: -71.855355
where:
bonds (distance) C4'-P energy: -17.572
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -16.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -208.637076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.637076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.637076 (E_RNA)
where:
Base-Base interactions energy: -134.947
where: short stacking energy: -58.909
Base-Backbone interact. energy: -0.067
local terms energy: -73.623665
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -16.953
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -14.033
tors. eta vs tors. theta energy: -14.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -196.708386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.708386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.708386 (E_RNA)
where:
Base-Base interactions energy: -117.808
where: short stacking energy: -63.752
Base-Backbone interact. energy: -0.153
local terms energy: -78.747048
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -18.230
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -17.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -173.700425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.700425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.700425 (E_RNA)
where:
Base-Base interactions energy: -112.752
where: short stacking energy: -51.105
Base-Backbone interact. energy: -0.222
local terms energy: -60.726028
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -7.819
flat angles C4'-P-C4' energy: -19.039
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -11.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -168.061293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.061293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.061293 (E_RNA)
where:
Base-Base interactions energy: -94.913
where: short stacking energy: -47.255
Base-Backbone interact. energy: -0.149
local terms energy: -72.998948
where:
bonds (distance) C4'-P energy: -17.379
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -18.606
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -11.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -141.943912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.943912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.943912 (E_RNA)
where:
Base-Base interactions energy: -79.776
where: short stacking energy: -43.027
Base-Backbone interact. energy: -0.387
local terms energy: -61.780408
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -12.497
flat angles P-C4'-P energy: -13.703
tors. eta vs tors. theta energy: -7.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -97.302357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.302357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.302357 (E_RNA)
where:
Base-Base interactions energy: -36.860
where: short stacking energy: -30.241
Base-Backbone interact. energy: 2.933
local terms energy: -63.375330
where:
bonds (distance) C4'-P energy: -16.666
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -8.979
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: -8.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -96.508815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.508815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.508815 (E_RNA)
where:
Base-Base interactions energy: -32.890
where: short stacking energy: -32.890
Base-Backbone interact. energy: -0.228
local terms energy: -63.390964
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -19.162
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -6.928
tors. eta vs tors. theta energy: -6.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -241.574269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.574269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.574269 (E_RNA)
where:
Base-Base interactions energy: -161.351
where: short stacking energy: -75.520
Base-Backbone interact. energy: -0.508
local terms energy: -79.715295
where:
bonds (distance) C4'-P energy: -18.029
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -12.287
tors. eta vs tors. theta energy: -19.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -233.523360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.523360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.523360 (E_RNA)
where:
Base-Base interactions energy: -150.140
where: short stacking energy: -69.416
Base-Backbone interact. energy: -0.425
local terms energy: -82.957941
where:
bonds (distance) C4'-P energy: -17.383
bonds (distance) P-C4' energy: -17.984
flat angles C4'-P-C4' energy: -18.514
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -16.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -229.638700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.638700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.638700 (E_RNA)
where:
Base-Base interactions energy: -150.266
where: short stacking energy: -76.733
Base-Backbone interact. energy: -0.098
local terms energy: -79.275011
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -16.782
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -22.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -190.397248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.397248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.397248 (E_RNA)
where:
Base-Base interactions energy: -113.640
where: short stacking energy: -50.186
Base-Backbone interact. energy: -0.054
local terms energy: -76.703618
where:
bonds (distance) C4'-P energy: -15.745
bonds (distance) P-C4' energy: -17.822
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -15.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -183.760214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.760214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.760214 (E_RNA)
where:
Base-Base interactions energy: -116.370
where: short stacking energy: -62.649
Base-Backbone interact. energy: 0.238
local terms energy: -67.628411
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -16.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -184.027632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.027632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.027632 (E_RNA)
where:
Base-Base interactions energy: -119.359
where: short stacking energy: -53.540
Base-Backbone interact. energy: -0.131
local terms energy: -64.538239
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -17.316
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -3.677
tors. eta vs tors. theta energy: -13.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -157.739127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.739127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.739127 (E_RNA)
where:
Base-Base interactions energy: -89.649
where: short stacking energy: -46.119
Base-Backbone interact. energy: -0.307
local terms energy: -67.782569
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -18.915
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -10.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -114.753826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.753826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.753826 (E_RNA)
where:
Base-Base interactions energy: -49.675
where: short stacking energy: -41.462
Base-Backbone interact. energy: -0.369
local terms energy: -64.710651
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -20.054
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -2.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -87.979872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.979872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.979872 (E_RNA)
where:
Base-Base interactions energy: -30.218
where: short stacking energy: -29.457
Base-Backbone interact. energy: -0.186
local terms energy: -57.575943
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -11.955
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: 10, replica: 1
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -98.203203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.203203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.203203 (E_RNA)
where:
Base-Base interactions energy: -32.829
where: short stacking energy: -26.354
Base-Backbone interact. energy: 0.076
local terms energy: -65.450093
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -7.037
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: 8
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -248.256838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.256838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.256838 (E_RNA)
where:
Base-Base interactions energy: -164.721
where: short stacking energy: -74.921
Base-Backbone interact. energy: -0.131
local terms energy: -83.404555
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -19.301
flat angles C4'-P-C4' energy: -17.954
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -20.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -234.990274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.990274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.990274 (E_RNA)
where:
Base-Base interactions energy: -154.358
where: short stacking energy: -60.764
Base-Backbone interact. energy: -0.270
local terms energy: -80.362949
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -16.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -221.073048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.073048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.073048 (E_RNA)
where:
Base-Base interactions energy: -143.600
where: short stacking energy: -67.053
Base-Backbone interact. energy: -0.677
local terms energy: -76.796598
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -20.877
flat angles C4'-P-C4' energy: -15.837
flat angles P-C4'-P energy: -6.868
tors. eta vs tors. theta energy: -17.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -202.758448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.758448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.758448 (E_RNA)
where:
Base-Base interactions energy: -123.972
where: short stacking energy: -62.391
Base-Backbone interact. energy: -0.324
local terms energy: -78.462416
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -13.959
tors. eta vs tors. theta energy: -18.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -190.708636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.708636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.708636 (E_RNA)
where:
Base-Base interactions energy: -121.835
where: short stacking energy: -59.828
Base-Backbone interact. energy: -0.262
local terms energy: -68.611486
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -15.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -177.722484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.722484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.722484 (E_RNA)
where:
Base-Base interactions energy: -104.133
where: short stacking energy: -44.260
Base-Backbone interact. energy: -0.131
local terms energy: -73.458326
where:
bonds (distance) C4'-P energy: -14.395
bonds (distance) P-C4' energy: -17.123
flat angles C4'-P-C4' energy: -17.107
flat angles P-C4'-P energy: -13.914
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: 7, replica: 5
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -147.519001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.519001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.519001 (E_RNA)
where:
Base-Base interactions energy: -85.395
where: short stacking energy: -39.787
Base-Backbone interact. energy: -0.183
local terms energy: -61.940508
where:
bonds (distance) C4'-P energy: -18.847
bonds (distance) P-C4' energy: -17.887
flat angles C4'-P-C4' energy: -5.513
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -9.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -104.095938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.095938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.095938 (E_RNA)
where:
Base-Base interactions energy: -38.298
where: short stacking energy: -38.298
Base-Backbone interact. energy: -0.033
local terms energy: -65.764076
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -9.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -90.713730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.713730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.713730 (E_RNA)
where:
Base-Base interactions energy: -33.473
where: short stacking energy: -29.403
Base-Backbone interact. energy: 0.172
local terms energy: -57.413051
where:
bonds (distance) C4'-P energy: -18.053
bonds (distance) P-C4' energy: -11.142
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -9.598
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: 10, replica: 1
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -92.936735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.936735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.936735 (E_RNA)
where:
Base-Base interactions energy: -33.641
where: short stacking energy: -23.895
Base-Backbone interact. energy: -0.151
local terms energy: -59.144902
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -19.944
flat angles P-C4'-P energy: -7.411
tors. eta vs tors. theta energy: -2.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -246.539085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.539085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.539085 (E_RNA)
where:
Base-Base interactions energy: -162.342
where: short stacking energy: -62.538
Base-Backbone interact. energy: -0.500
local terms energy: -83.697310
where:
bonds (distance) C4'-P energy: -17.763
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -18.399
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -20.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -235.599574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.599574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.599574 (E_RNA)
where:
Base-Base interactions energy: -156.380
where: short stacking energy: -76.605
Base-Backbone interact. energy: -0.102
local terms energy: -79.118136
where:
bonds (distance) C4'-P energy: -18.239
bonds (distance) P-C4' energy: -19.188
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -5.936
tors. eta vs tors. theta energy: -20.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -205.405059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.405059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.405059 (E_RNA)
where:
Base-Base interactions energy: -126.613
where: short stacking energy: -69.146
Base-Backbone interact. energy: 0.049
local terms energy: -78.840721
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -20.684
flat angles C4'-P-C4' energy: -17.166
flat angles P-C4'-P energy: -12.552
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: 4, replica: 10
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -209.308065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.308065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.308065 (E_RNA)
where:
Base-Base interactions energy: -136.230
where: short stacking energy: -61.864
Base-Backbone interact. energy: -0.733
local terms energy: -72.344555
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -19.434
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -15.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -207.998635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.998635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.998635 (E_RNA)
where:
Base-Base interactions energy: -133.061
where: short stacking energy: -61.360
Base-Backbone interact. energy: -0.077
local terms energy: -74.860730
where:
bonds (distance) C4'-P energy: -11.996
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -18.576
flat angles P-C4'-P energy: -11.933
tors. eta vs tors. theta energy: -14.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -181.459967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.459967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.459967 (E_RNA)
where:
Base-Base interactions energy: -112.984
where: short stacking energy: -43.675
Base-Backbone interact. energy: -0.052
local terms energy: -68.423116
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -16.517
flat angles C4'-P-C4' energy: -11.865
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -13.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -113.663564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.663564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.663564 (E_RNA)
where:
Base-Base interactions energy: -44.079
where: short stacking energy: -39.884
Base-Backbone interact. energy: 0.923
local terms energy: -70.507042
where:
bonds (distance) C4'-P energy: -17.403
bonds (distance) P-C4' energy: -18.893
flat angles C4'-P-C4' energy: -17.391
flat angles P-C4'-P energy: -11.354
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: 5
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -139.771354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.771354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.771354 (E_RNA)
where:
Base-Base interactions energy: -83.646
where: short stacking energy: -40.202
Base-Backbone interact. energy: -0.017
local terms energy: -56.108161
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -12.845
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -5.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -88.711396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.711396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.711396 (E_RNA)
where:
Base-Base interactions energy: -37.890
where: short stacking energy: -37.881
Base-Backbone interact. energy: -0.256
local terms energy: -50.565326
where:
bonds (distance) C4'-P energy: -9.105
bonds (distance) P-C4' energy: -12.057
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -5.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -83.237723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.237723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.237723 (E_RNA)
where:
Base-Base interactions energy: -34.521
where: short stacking energy: -21.140
Base-Backbone interact. energy: -0.290
local terms energy: -48.427299
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -7.870
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -1.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -248.668388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.668388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.668388 (E_RNA)
where:
Base-Base interactions energy: -161.182
where: short stacking energy: -79.092
Base-Backbone interact. energy: -0.529
local terms energy: -86.957077
where:
bonds (distance) C4'-P energy: -19.352
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -17.156
flat angles P-C4'-P energy: -13.826
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: 9
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -220.157652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.157652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.157652 (E_RNA)
where:
Base-Base interactions energy: -138.817
where: short stacking energy: -71.402
Base-Backbone interact. energy: -0.279
local terms energy: -81.062294
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -20.309
flat angles C4'-P-C4' energy: -19.413
flat angles P-C4'-P energy: -6.305
tors. eta vs tors. theta energy: -18.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -227.574826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.574826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.574826 (E_RNA)
where:
Base-Base interactions energy: -144.383
where: short stacking energy: -66.947
Base-Backbone interact. energy: -0.673
local terms energy: -82.518160
where:
bonds (distance) C4'-P energy: -13.025
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -17.631
flat angles P-C4'-P energy: -13.262
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: 4, replica: 2
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -185.815924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.815924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.815924 (E_RNA)
where:
Base-Base interactions energy: -113.668
where: short stacking energy: -64.040
Base-Backbone interact. energy: 0.013
local terms energy: -72.160836
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -14.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -212.343564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.343564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.343564 (E_RNA)
where:
Base-Base interactions energy: -136.167
where: short stacking energy: -65.622
Base-Backbone interact. energy: 0.765
local terms energy: -76.941470
where:
bonds (distance) C4'-P energy: -11.251
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -18.751
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -20.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -189.611476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.611476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.611476 (E_RNA)
where:
Base-Base interactions energy: -118.951
where: short stacking energy: -59.030
Base-Backbone interact. energy: -0.263
local terms energy: -70.397894
where:
bonds (distance) C4'-P energy: -10.311
bonds (distance) P-C4' energy: -19.164
flat angles C4'-P-C4' energy: -11.979
flat angles P-C4'-P energy: -13.379
tors. eta vs tors. theta energy: -15.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -127.284132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.284132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.284132 (E_RNA)
where:
Base-Base interactions energy: -60.037
where: short stacking energy: -50.217
Base-Backbone interact. energy: -0.060
local terms energy: -67.187378
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -14.307
tors. eta vs tors. theta energy: -11.294
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: 5
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -137.221992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.221992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.221992 (E_RNA)
where:
Base-Base interactions energy: -75.355
where: short stacking energy: -29.941
Base-Backbone interact. energy: -0.656
local terms energy: -61.210845
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -17.218
flat angles C4'-P-C4' energy: -11.406
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -5.489
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: 1
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -96.400498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.400498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.400498 (E_RNA)
where:
Base-Base interactions energy: -49.389
where: short stacking energy: -31.234
Base-Backbone interact. energy: -0.596
local terms energy: -46.415749
where:
bonds (distance) C4'-P energy: -17.680
bonds (distance) P-C4' energy: -10.919
flat angles C4'-P-C4' energy: -10.068
flat angles P-C4'-P energy: -6.137
tors. eta vs tors. theta energy: -1.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -85.080502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.080502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.080502 (E_RNA)
where:
Base-Base interactions energy: -34.459
where: short stacking energy: -27.223
Base-Backbone interact. energy: -0.547
local terms energy: -50.074297
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -3.814
tors. eta vs tors. theta energy: -0.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -248.428866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.428866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.428866 (E_RNA)
where:
Base-Base interactions energy: -160.944
where: short stacking energy: -82.731
Base-Backbone interact. energy: -0.387
local terms energy: -87.097860
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -20.920
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -10.915
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: 9
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -225.707398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.707398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.707398 (E_RNA)
where:
Base-Base interactions energy: -141.015
where: short stacking energy: -75.845
Base-Backbone interact. energy: -0.005
local terms energy: -84.687762
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -19.453
flat angles P-C4'-P energy: -10.503
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: 3, replica: 2
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -213.920919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.920919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.920919 (E_RNA)
where:
Base-Base interactions energy: -138.589
where: short stacking energy: -67.863
Base-Backbone interact. energy: -0.184
local terms energy: -75.147915
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -19.424
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -9.089
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: 8
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -217.048116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.048116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.048116 (E_RNA)
where:
Base-Base interactions energy: -135.654
where: short stacking energy: -64.479
Base-Backbone interact. energy: -0.036
local terms energy: -81.358759
where:
bonds (distance) C4'-P energy: -18.223
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -9.338
tors. eta vs tors. theta energy: -17.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -211.755445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.755445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.755445 (E_RNA)
where:
Base-Base interactions energy: -132.556
where: short stacking energy: -62.888
Base-Backbone interact. energy: -0.280
local terms energy: -78.919696
where:
bonds (distance) C4'-P energy: -16.595
bonds (distance) P-C4' energy: -17.849
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -13.961
tors. eta vs tors. theta energy: -15.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -177.895416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.895416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.895416 (E_RNA)
where:
Base-Base interactions energy: -110.358
where: short stacking energy: -53.332
Base-Backbone interact. energy: -0.183
local terms energy: -67.354227
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -16.845
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -11.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -154.364358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.364358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.364358 (E_RNA)
where:
Base-Base interactions energy: -91.955
where: short stacking energy: -47.998
Base-Backbone interact. energy: -0.054
local terms energy: -62.355696
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -11.844
flat angles P-C4'-P energy: -7.506
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: 7
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -130.565988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.565988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.565988 (E_RNA)
where:
Base-Base interactions energy: -60.780
where: short stacking energy: -52.614
Base-Backbone interact. energy: -0.123
local terms energy: -69.663181
where:
bonds (distance) C4'-P energy: -17.758
bonds (distance) P-C4' energy: -18.277
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -9.149
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: 9, replica: 1
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -92.207965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.207965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.207965 (E_RNA)
where:
Base-Base interactions energy: -36.619
where: short stacking energy: -36.619
Base-Backbone interact. energy: -0.108
local terms energy: -55.481623
where:
bonds (distance) C4'-P energy: -17.840
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -9.976
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -1.938
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: 4
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -79.835143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.835143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.835143 (E_RNA)
where:
Base-Base interactions energy: -28.537
where: short stacking energy: -24.378
Base-Backbone interact. energy: -0.208
local terms energy: -51.090825
where:
bonds (distance) C4'-P energy: -17.778
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -7.558
flat angles P-C4'-P energy: -10.379
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: 1, replica: 6
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -247.235897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.235897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.235897 (E_RNA)
where:
Base-Base interactions energy: -157.608
where: short stacking energy: -75.892
Base-Backbone interact. energy: -0.623
local terms energy: -89.004055
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -21.393
flat angles C4'-P-C4' energy: -20.137
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -21.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -203.727737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.727737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.727737 (E_RNA)
where:
Base-Base interactions energy: -129.796
where: short stacking energy: -77.178
Base-Backbone interact. energy: -0.378
local terms energy: -73.553824
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -15.799
flat angles C4'-P-C4' energy: -17.289
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -16.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -215.442543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.442543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.442543 (E_RNA)
where:
Base-Base interactions energy: -124.189
where: short stacking energy: -68.220
Base-Backbone interact. energy: -0.422
local terms energy: -90.831080
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -21.079
flat angles P-C4'-P energy: -13.358
tors. eta vs tors. theta energy: -22.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -218.758515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.758515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.758515 (E_RNA)
where:
Base-Base interactions energy: -139.280
where: short stacking energy: -64.088
Base-Backbone interact. energy: 1.706
local terms energy: -81.183995
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: -20.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -213.917168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.917168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.917168 (E_RNA)
where:
Base-Base interactions energy: -140.213
where: short stacking energy: -61.983
Base-Backbone interact. energy: 0.669
local terms energy: -74.373646
where:
bonds (distance) C4'-P energy: -18.048
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -16.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -161.369446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.369446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.369446 (E_RNA)
where:
Base-Base interactions energy: -96.860
where: short stacking energy: -47.853
Base-Backbone interact. energy: -0.113
local terms energy: -64.396101
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: -8.044
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: 3
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -188.680395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.680395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.680395 (E_RNA)
where:
Base-Base interactions energy: -122.551
where: short stacking energy: -66.136
Base-Backbone interact. energy: -0.012
local terms energy: -66.117122
where:
bonds (distance) C4'-P energy: -8.787
bonds (distance) P-C4' energy: -9.536
flat angles C4'-P-C4' energy: -17.996
flat angles P-C4'-P energy: -15.962
tors. eta vs tors. theta energy: -13.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -90.099683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.099683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.099683 (E_RNA)
where:
Base-Base interactions energy: -36.403
where: short stacking energy: -36.402
Base-Backbone interact. energy: 0.121
local terms energy: -53.817949
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -18.339
flat angles P-C4'-P energy: -6.567
tors. eta vs tors. theta energy: -1.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -91.510899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.510899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.510899 (E_RNA)
where:
Base-Base interactions energy: -36.483
where: short stacking energy: -36.483
Base-Backbone interact. energy: -0.011
local terms energy: -55.016142
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -11.138
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -6.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -88.265813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.265813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.265813 (E_RNA)
where:
Base-Base interactions energy: -29.583
where: short stacking energy: -29.583
Base-Backbone interact. energy: -0.119
local terms energy: -58.563861
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -19.331
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -4.603
tors. eta vs tors. theta energy: -7.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -247.006196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.006196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.006196 (E_RNA)
where:
Base-Base interactions energy: -162.855
where: short stacking energy: -69.291
Base-Backbone interact. energy: -0.962
local terms energy: -83.188553
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -20.775
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -20.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -211.780096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.780096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.780096 (E_RNA)
where:
Base-Base interactions energy: -129.316
where: short stacking energy: -72.732
Base-Backbone interact. energy: -0.041
local terms energy: -82.423238
where:
bonds (distance) C4'-P energy: -14.135
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -15.201
tors. eta vs tors. theta energy: -19.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -217.368531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.368531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.368531 (E_RNA)
where:
Base-Base interactions energy: -142.313
where: short stacking energy: -59.920
Base-Backbone interact. energy: -0.149
local terms energy: -74.906833
where:
bonds (distance) C4'-P energy: -19.409
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -18.233
flat angles P-C4'-P energy: -8.578
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: 4, replica: 9
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -212.970656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.970656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.970656 (E_RNA)
where:
Base-Base interactions energy: -136.288
where: short stacking energy: -65.080
Base-Backbone interact. energy: -0.252
local terms energy: -76.430024
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -16.334
flat angles C4'-P-C4' energy: -18.685
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: -16.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -210.669751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.669751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.669751 (E_RNA)
where:
Base-Base interactions energy: -126.417
where: short stacking energy: -70.789
Base-Backbone interact. energy: -0.173
local terms energy: -84.079948
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -16.907
flat angles C4'-P-C4' energy: -19.861
flat angles P-C4'-P energy: -16.231
tors. eta vs tors. theta energy: -15.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -156.646183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.646183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.646183 (E_RNA)
where:
Base-Base interactions energy: -89.564
where: short stacking energy: -48.206
Base-Backbone interact. energy: -0.190
local terms energy: -66.892538
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -11.658
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: 7, replica: 1
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -144.638613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.638613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.638613 (E_RNA)
where:
Base-Base interactions energy: -78.390
where: short stacking energy: -41.088
Base-Backbone interact. energy: -0.798
local terms energy: -65.450546
where:
bonds (distance) C4'-P energy: -15.449
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -5.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -168.896938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.896938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.896938 (E_RNA)
where:
Base-Base interactions energy: -101.421
where: short stacking energy: -50.870
Base-Backbone interact. energy: 0.393
local terms energy: -67.868564
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -13.326
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -13.038
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: 9, replica: 7
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -102.626934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.626934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.626934 (E_RNA)
where:
Base-Base interactions energy: -40.037
where: short stacking energy: -39.887
Base-Backbone interact. energy: -0.082
local terms energy: -62.508318
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -18.770
flat angles C4'-P-C4' energy: -13.500
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: -7.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -84.921468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.921468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.921468 (E_RNA)
where:
Base-Base interactions energy: -25.425
where: short stacking energy: -25.425
Base-Backbone interact. energy: -0.265
local terms energy: -59.231344
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -19.095
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -3.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -244.414676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.414676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.414676 (E_RNA)
where:
Base-Base interactions energy: -170.185
where: short stacking energy: -68.679
Base-Backbone interact. energy: -0.741
local terms energy: -73.488207
where:
bonds (distance) C4'-P energy: -9.835
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -19.311
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -16.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -224.773856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.773856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.773856 (E_RNA)
where:
Base-Base interactions energy: -139.366
where: short stacking energy: -71.751
Base-Backbone interact. energy: -0.019
local terms energy: -85.388719
where:
bonds (distance) C4'-P energy: -18.823
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -16.828
flat angles P-C4'-P energy: -13.230
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: 3, replica: 10
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -224.580971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.580971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.580971 (E_RNA)
where:
Base-Base interactions energy: -157.157
where: short stacking energy: -72.699
Base-Backbone interact. energy: -0.188
local terms energy: -67.236538
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -17.174
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: 8
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -192.782004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.782004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.782004 (E_RNA)
where:
Base-Base interactions energy: -120.495
where: short stacking energy: -54.842
Base-Backbone interact. energy: -0.190
local terms energy: -72.097380
where:
bonds (distance) C4'-P energy: -16.182
bonds (distance) P-C4' energy: -16.781
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -12.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -170.687476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.687476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.687476 (E_RNA)
where:
Base-Base interactions energy: -95.125
where: short stacking energy: -47.004
Base-Backbone interact. energy: -0.119
local terms energy: -75.443089
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -14.725
tors. eta vs tors. theta energy: -10.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -176.683243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.683243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.683243 (E_RNA)
where:
Base-Base interactions energy: -113.020
where: short stacking energy: -56.216
Base-Backbone interact. energy: -0.146
local terms energy: -63.517291
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -14.005
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -8.213
tors. eta vs tors. theta energy: -12.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -141.406719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.406719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.406719 (E_RNA)
where:
Base-Base interactions energy: -71.842
where: short stacking energy: -33.491
Base-Backbone interact. energy: -0.552
local terms energy: -69.012723
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -18.463
flat angles C4'-P-C4' energy: -16.881
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -8.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -169.540812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.540812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.540812 (E_RNA)
where:
Base-Base interactions energy: -110.672
where: short stacking energy: -51.892
Base-Backbone interact. energy: -0.027
local terms energy: -58.841934
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: -4.759
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: 9, replica: 7
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -90.158333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.158333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.158333 (E_RNA)
where:
Base-Base interactions energy: -40.651
where: short stacking energy: -35.550
Base-Backbone interact. energy: -0.109
local terms energy: -49.398405
where:
bonds (distance) C4'-P energy: -9.196
bonds (distance) P-C4' energy: -9.678
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -5.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -80.784964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.784964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.784964 (E_RNA)
where:
Base-Base interactions energy: -28.734
where: short stacking energy: -21.175
Base-Backbone interact. energy: -0.632
local terms energy: -51.419083
where:
bonds (distance) C4'-P energy: -18.533
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -4.126
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: 6
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -252.034415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.034415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.034415 (E_RNA)
where:
Base-Base interactions energy: -165.430
where: short stacking energy: -70.942
Base-Backbone interact. energy: -0.949
local terms energy: -85.655513
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -18.790
flat angles C4'-P-C4' energy: -18.180
flat angles P-C4'-P energy: -14.739
tors. eta vs tors. theta energy: -17.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -218.797539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.797539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.797539 (E_RNA)
where:
Base-Base interactions energy: -126.109
where: short stacking energy: -75.587
Base-Backbone interact. energy: -0.626
local terms energy: -92.062627
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -19.982
flat angles P-C4'-P energy: -13.450
tors. eta vs tors. theta energy: -22.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -195.145974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.145974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.145974 (E_RNA)
where:
Base-Base interactions energy: -118.476
where: short stacking energy: -59.208
Base-Backbone interact. energy: -0.310
local terms energy: -76.360180
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -19.685
flat angles P-C4'-P energy: -10.364
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: 4, replica: 10
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -206.590083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.590083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.590083 (E_RNA)
where:
Base-Base interactions energy: -139.532
where: short stacking energy: -63.761
Base-Backbone interact. energy: -0.282
local terms energy: -66.776397
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -18.651
flat angles C4'-P-C4' energy: -7.248
flat angles P-C4'-P energy: -12.828
tors. eta vs tors. theta energy: -12.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -171.670927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.670927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.670927 (E_RNA)
where:
Base-Base interactions energy: -116.179
where: short stacking energy: -59.544
Base-Backbone interact. energy: -0.060
local terms energy: -55.432212
where:
bonds (distance) C4'-P energy: -9.607
bonds (distance) P-C4' energy: -12.400
flat angles C4'-P-C4' energy: -13.115
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: -12.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -184.868825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.868825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.868825 (E_RNA)
where:
Base-Base interactions energy: -120.802
where: short stacking energy: -53.188
Base-Backbone interact. energy: -0.153
local terms energy: -63.913766
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -9.676
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: 7, replica: 3
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -163.378545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.378545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.378545 (E_RNA)
where:
Base-Base interactions energy: -96.285
where: short stacking energy: -46.995
Base-Backbone interact. energy: -0.193
local terms energy: -66.901309
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -18.816
flat angles C4'-P-C4' energy: -19.056
flat angles P-C4'-P energy: -4.482
tors. eta vs tors. theta energy: -10.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -139.747196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.747196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.747196 (E_RNA)
where:
Base-Base interactions energy: -80.794
where: short stacking energy: -39.717
Base-Backbone interact. energy: -0.389
local terms energy: -58.564349
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -16.202
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -3.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -92.397527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.397527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.397527 (E_RNA)
where:
Base-Base interactions energy: -35.688
where: short stacking energy: -35.688
Base-Backbone interact. energy: -0.692
local terms energy: -56.017578
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -20.448
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -5.381
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: 7
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -88.158183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.158183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.158183 (E_RNA)
where:
Base-Base interactions energy: -33.914
where: short stacking energy: -33.914
Base-Backbone interact. energy: -0.083
local terms energy: -54.160735
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -6.837
tors. eta vs tors. theta energy: -3.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -251.437604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.437604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.437604 (E_RNA)
where:
Base-Base interactions energy: -167.250
where: short stacking energy: -73.081
Base-Backbone interact. energy: -0.507
local terms energy: -83.680635
where:
bonds (distance) C4'-P energy: -16.753
bonds (distance) P-C4' energy: -18.653
flat angles C4'-P-C4' energy: -16.850
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -20.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -223.164271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.164271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.164271 (E_RNA)
where:
Base-Base interactions energy: -139.031
where: short stacking energy: -70.802
Base-Backbone interact. energy: -0.147
local terms energy: -83.986553
where:
bonds (distance) C4'-P energy: -18.864
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -17.764
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -20.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -209.316400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.316400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.316400 (E_RNA)
where:
Base-Base interactions energy: -131.676
where: short stacking energy: -76.123
Base-Backbone interact. energy: -0.495
local terms energy: -77.145123
where:
bonds (distance) C4'-P energy: -10.502
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -19.084
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: -20.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -204.210258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.210258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.210258 (E_RNA)
where:
Base-Base interactions energy: -132.308
where: short stacking energy: -57.084
Base-Backbone interact. energy: -0.069
local terms energy: -71.833221
where:
bonds (distance) C4'-P energy: -18.333
bonds (distance) P-C4' energy: -18.061
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -13.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -187.363020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.363020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.363020 (E_RNA)
where:
Base-Base interactions energy: -113.408
where: short stacking energy: -63.755
Base-Backbone interact. energy: -0.297
local terms energy: -73.657808
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -16.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -179.372454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.372454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.372454 (E_RNA)
where:
Base-Base interactions energy: -104.641
where: short stacking energy: -59.320
Base-Backbone interact. energy: -0.156
local terms energy: -74.575470
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -18.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -171.130729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.130729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.130729 (E_RNA)
where:
Base-Base interactions energy: -97.550
where: short stacking energy: -55.285
Base-Backbone interact. energy: -0.027
local terms energy: -73.554627
where:
bonds (distance) C4'-P energy: -17.535
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -12.813
tors. eta vs tors. theta energy: -9.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -147.091560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.091560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.091560 (E_RNA)
where:
Base-Base interactions energy: -86.241
where: short stacking energy: -47.200
Base-Backbone interact. energy: -0.477
local terms energy: -60.374170
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -10.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -119.477938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.477938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.477938 (E_RNA)
where:
Base-Base interactions energy: -68.663
where: short stacking energy: -38.085
Base-Backbone interact. energy: -0.247
local terms energy: -50.567064
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -10.598
flat angles C4'-P-C4' energy: -9.562
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -4.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -85.008674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.008674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.008674 (E_RNA)
where:
Base-Base interactions energy: -34.637
where: short stacking energy: -32.221
Base-Backbone interact. energy: -0.843
local terms energy: -49.528387
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -0.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -227.758122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.758122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.758122 (E_RNA)
where:
Base-Base interactions energy: -140.957
where: short stacking energy: -76.893
Base-Backbone interact. energy: -0.275
local terms energy: -86.526037
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -18.598
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -12.946
tors. eta vs tors. theta energy: -24.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -244.375820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.375820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.375820 (E_RNA)
where:
Base-Base interactions energy: -152.969
where: short stacking energy: -70.470
Base-Backbone interact. energy: -1.456
local terms energy: -89.950353
where:
bonds (distance) C4'-P energy: -19.770
bonds (distance) P-C4' energy: -21.840
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -13.638
tors. eta vs tors. theta energy: -18.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -210.453146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.453146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.453146 (E_RNA)
where:
Base-Base interactions energy: -134.717
where: short stacking energy: -63.430
Base-Backbone interact. energy: -0.100
local terms energy: -75.635761
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -14.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -204.716977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.716977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.716977 (E_RNA)
where:
Base-Base interactions energy: -135.056
where: short stacking energy: -56.936
Base-Backbone interact. energy: -0.112
local terms energy: -69.549050
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -7.353
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: 5, replica: 5
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -186.916279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.916279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.916279 (E_RNA)
where:
Base-Base interactions energy: -113.365
where: short stacking energy: -57.265
Base-Backbone interact. energy: -0.169
local terms energy: -73.381854
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -20.638
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -13.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -174.437076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.437076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.437076 (E_RNA)
where:
Base-Base interactions energy: -102.051
where: short stacking energy: -47.474
Base-Backbone interact. energy: -0.103
local terms energy: -72.282574
where:
bonds (distance) C4'-P energy: -18.199
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -11.629
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: 1
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -145.700966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.700966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.700966 (E_RNA)
where:
Base-Base interactions energy: -75.596
where: short stacking energy: -45.247
Base-Backbone interact. energy: -0.036
local terms energy: -70.069349
where:
bonds (distance) C4'-P energy: -17.527
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -6.846
tors. eta vs tors. theta energy: -12.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -158.553427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.553427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.553427 (E_RNA)
where:
Base-Base interactions energy: -91.578
where: short stacking energy: -45.019
Base-Backbone interact. energy: -0.666
local terms energy: -66.309831
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -4.528
tors. eta vs tors. theta energy: -12.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -93.072222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.072222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.072222 (E_RNA)
where:
Base-Base interactions energy: -41.037
where: short stacking energy: -26.845
Base-Backbone interact. energy: -0.847
local terms energy: -51.188347
where:
bonds (distance) C4'-P energy: -19.439
bonds (distance) P-C4' energy: -15.975
flat angles C4'-P-C4' energy: -8.834
flat angles P-C4'-P energy: -7.855
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: 10, replica: 4
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -84.794659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.794659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.794659 (E_RNA)
where:
Base-Base interactions energy: -27.525
where: short stacking energy: -27.525
Base-Backbone interact. energy: -0.038
local terms energy: -57.232257
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -14.999
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: -10.631
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: 1, replica: 2
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -250.172247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.172247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.172247 (E_RNA)
where:
Base-Base interactions energy: -158.967
where: short stacking energy: -91.017
Base-Backbone interact. energy: -0.299
local terms energy: -90.906118
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -20.165
flat angles C4'-P-C4' energy: -18.447
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -26.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -217.376060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.376060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.376060 (E_RNA)
where:
Base-Base interactions energy: -141.449
where: short stacking energy: -74.567
Base-Backbone interact. energy: -0.016
local terms energy: -75.910977
where:
bonds (distance) C4'-P energy: -17.166
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -17.658
flat angles P-C4'-P energy: -6.721
tors. eta vs tors. theta energy: -18.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -235.872813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.872813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.872813 (E_RNA)
where:
Base-Base interactions energy: -152.760
where: short stacking energy: -70.403
Base-Backbone interact. energy: -0.039
local terms energy: -83.073904
where:
bonds (distance) C4'-P energy: -20.330
bonds (distance) P-C4' energy: -16.971
flat angles C4'-P-C4' energy: -17.571
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -18.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -215.660199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.660199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.660199 (E_RNA)
where:
Base-Base interactions energy: -137.715
where: short stacking energy: -70.200
Base-Backbone interact. energy: -0.115
local terms energy: -77.830110
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -14.054
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: 5, replica: 10
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -168.983001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.983001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.983001 (E_RNA)
where:
Base-Base interactions energy: -103.870
where: short stacking energy: -51.132
Base-Backbone interact. energy: -0.377
local terms energy: -64.736245
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -19.335
flat angles C4'-P-C4' energy: -18.655
flat angles P-C4'-P energy: -2.420
tors. eta vs tors. theta energy: -9.969
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: 6, replica: 3
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -173.797229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.797229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.797229 (E_RNA)
where:
Base-Base interactions energy: -98.762
where: short stacking energy: -58.425
Base-Backbone interact. energy: -0.148
local terms energy: -74.887534
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -15.858
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -17.974
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: 1
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -157.934825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.934825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.934825 (E_RNA)
where:
Base-Base interactions energy: -104.843
where: short stacking energy: -51.365
Base-Backbone interact. energy: -0.146
local terms energy: -52.945910
where:
bonds (distance) C4'-P energy: -9.061
bonds (distance) P-C4' energy: -17.238
flat angles C4'-P-C4' energy: -9.260
flat angles P-C4'-P energy: -7.874
tors. eta vs tors. theta energy: -9.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -154.572210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.572210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.572210 (E_RNA)
where:
Base-Base interactions energy: -89.213
where: short stacking energy: -37.663
Base-Backbone interact. energy: -0.052
local terms energy: -65.306599
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -12.369
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -10.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -93.174661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.174661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.174661 (E_RNA)
where:
Base-Base interactions energy: -32.819
where: short stacking energy: -32.819
Base-Backbone interact. energy: 0.987
local terms energy: -61.342271
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -18.917
flat angles P-C4'-P energy: -4.833
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: 10, replica: 4
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -91.543539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.543539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.543539 (E_RNA)
where:
Base-Base interactions energy: -36.513
where: short stacking energy: -36.513
Base-Backbone interact. energy: -0.017
local terms energy: -55.013276
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -1.977
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: 8
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -225.025257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.025257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.025257 (E_RNA)
where:
Base-Base interactions energy: -136.408
where: short stacking energy: -75.989
Base-Backbone interact. energy: -0.086
local terms energy: -88.531914
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -18.061
flat angles C4'-P-C4' energy: -19.459
flat angles P-C4'-P energy: -13.114
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: 2
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -229.073394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.073394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.073394 (E_RNA)
where:
Base-Base interactions energy: -147.726
where: short stacking energy: -68.737
Base-Backbone interact. energy: -0.032
local terms energy: -81.315061
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -15.834
flat angles C4'-P-C4' energy: -18.505
flat angles P-C4'-P energy: -12.968
tors. eta vs tors. theta energy: -21.999
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: 5
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -205.304234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.304234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.304234 (E_RNA)
where:
Base-Base interactions energy: -126.388
where: short stacking energy: -63.497
Base-Backbone interact. energy: -0.030
local terms energy: -78.886604
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -14.608
tors. eta vs tors. theta energy: -18.686
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: 6
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -214.110849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.110849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.110849 (E_RNA)
where:
Base-Base interactions energy: -144.823
where: short stacking energy: -57.388
Base-Backbone interact. energy: 0.309
local terms energy: -69.596791
where:
bonds (distance) C4'-P energy: -10.767
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -19.306
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -13.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -194.149658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.149658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.149658 (E_RNA)
where:
Base-Base interactions energy: -122.752
where: short stacking energy: -53.750
Base-Backbone interact. energy: -0.169
local terms energy: -71.228685
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -15.894
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -11.008
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: 6, replica: 10
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -146.021118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.021118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.021118 (E_RNA)
where:
Base-Base interactions energy: -83.113
where: short stacking energy: -46.171
Base-Backbone interact. energy: -0.597
local terms energy: -62.310656
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -20.215
flat angles C4'-P-C4' energy: -10.381
flat angles P-C4'-P energy: -6.502
tors. eta vs tors. theta energy: -8.125
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: 1
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -192.658904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.658904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.658904 (E_RNA)
where:
Base-Base interactions energy: -115.194
where: short stacking energy: -64.095
Base-Backbone interact. energy: -0.119
local terms energy: -77.346011
where:
bonds (distance) C4'-P energy: -17.456
bonds (distance) P-C4' energy: -17.763
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -16.879
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: 9
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -157.278367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.278367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.278367 (E_RNA)
where:
Base-Base interactions energy: -91.482
where: short stacking energy: -42.958
Base-Backbone interact. energy: -0.199
local terms energy: -65.597618
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -19.950
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -7.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -105.787061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.787061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.787061 (E_RNA)
where:
Base-Base interactions energy: -35.303
where: short stacking energy: -35.303
Base-Backbone interact. energy: -0.046
local terms energy: -70.438497
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -13.764
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -8.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -86.910417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.910417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.910417 (E_RNA)
where:
Base-Base interactions energy: -29.886
where: short stacking energy: -29.886
Base-Backbone interact. energy: -0.145
local terms energy: -56.879439
where:
bonds (distance) C4'-P energy: -10.626
bonds (distance) P-C4' energy: -18.675
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -6.221
tors. eta vs tors. theta energy: -6.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -239.385279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.385279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.385279 (E_RNA)
where:
Base-Base interactions energy: -155.390
where: short stacking energy: -73.689
Base-Backbone interact. energy: -0.069
local terms energy: -83.925907
where:
bonds (distance) C4'-P energy: -17.530
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -18.605
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -25.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -226.814187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.814187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.814187 (E_RNA)
where:
Base-Base interactions energy: -142.526
where: short stacking energy: -75.747
Base-Backbone interact. energy: -0.095
local terms energy: -84.193242
where:
bonds (distance) C4'-P energy: -17.910
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -21.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -207.615012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.615012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.615012 (E_RNA)
where:
Base-Base interactions energy: -127.842
where: short stacking energy: -68.343
Base-Backbone interact. energy: -0.184
local terms energy: -79.588927
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -18.666
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -18.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -220.901608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.901608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.901608 (E_RNA)
where:
Base-Base interactions energy: -142.034
where: short stacking energy: -71.166
Base-Backbone interact. energy: 1.160
local terms energy: -80.028373
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -18.509
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -17.639
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: 3
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -190.279278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.279278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.279278 (E_RNA)
where:
Base-Base interactions energy: -114.687
where: short stacking energy: -62.110
Base-Backbone interact. energy: -0.021
local terms energy: -75.570921
where:
bonds (distance) C4'-P energy: -14.709
bonds (distance) P-C4' energy: -18.632
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -15.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -199.198064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.198064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.198064 (E_RNA)
where:
Base-Base interactions energy: -123.559
where: short stacking energy: -61.662
Base-Backbone interact. energy: -0.105
local terms energy: -75.533789
where:
bonds (distance) C4'-P energy: -19.237
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -12.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -170.641599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.641599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.641599 (E_RNA)
where:
Base-Base interactions energy: -101.499
where: short stacking energy: -41.014
Base-Backbone interact. energy: -1.332
local terms energy: -67.809945
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -13.991
tors. eta vs tors. theta energy: -9.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -146.630389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.630389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.630389 (E_RNA)
where:
Base-Base interactions energy: -87.915
where: short stacking energy: -43.376
Base-Backbone interact. energy: 3.397
local terms energy: -62.112612
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -15.313
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -8.164
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: 361
Temperature: 1.300000
Total energy: -89.087510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.087510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.087510 (E_RNA)
where:
Base-Base interactions energy: -32.365
where: short stacking energy: -32.365
Base-Backbone interact. energy: 0.269
local terms energy: -56.992379
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: 2.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -85.341902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.341902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.341902 (E_RNA)
where:
Base-Base interactions energy: -34.197
where: short stacking energy: -32.803
Base-Backbone interact. energy: -0.252
local terms energy: -50.893238
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -13.186
flat angles C4'-P-C4' energy: -8.441
flat angles P-C4'-P energy: -13.162
tors. eta vs tors. theta energy: -1.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -239.286073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.286073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.286073 (E_RNA)
where:
Base-Base interactions energy: -148.120
where: short stacking energy: -76.380
Base-Backbone interact. energy: -0.239
local terms energy: -90.926646
where:
bonds (distance) C4'-P energy: -18.538
bonds (distance) P-C4' energy: -19.902
flat angles C4'-P-C4' energy: -19.001
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -20.586
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: 8
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -228.605269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.605269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.605269 (E_RNA)
where:
Base-Base interactions energy: -140.449
where: short stacking energy: -78.816
Base-Backbone interact. energy: -0.188
local terms energy: -87.968146
where:
bonds (distance) C4'-P energy: -19.369
bonds (distance) P-C4' energy: -17.866
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: -22.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -227.562841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.562841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.562841 (E_RNA)
where:
Base-Base interactions energy: -155.401
where: short stacking energy: -72.309
Base-Backbone interact. energy: -0.364
local terms energy: -71.798384
where:
bonds (distance) C4'-P energy: -10.378
bonds (distance) P-C4' energy: -16.581
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -16.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -199.979727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.979727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.979727 (E_RNA)
where:
Base-Base interactions energy: -126.649
where: short stacking energy: -73.696
Base-Backbone interact. energy: -0.104
local terms energy: -73.227131
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -18.149
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -7.910
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: 362
Temperature: 1.100000
Total energy: -195.631297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.631297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.631297 (E_RNA)
where:
Base-Base interactions energy: -118.757
where: short stacking energy: -65.684
Base-Backbone interact. energy: -0.001
local terms energy: -76.873786
where:
bonds (distance) C4'-P energy: -19.538
bonds (distance) P-C4' energy: -10.921
flat angles C4'-P-C4' energy: -18.165
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -17.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -194.195714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.195714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.195714 (E_RNA)
where:
Base-Base interactions energy: -125.751
where: short stacking energy: -65.793
Base-Backbone interact. energy: 0.375
local terms energy: -68.819645
where:
bonds (distance) C4'-P energy: -11.174
bonds (distance) P-C4' energy: -18.025
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -11.025
tors. eta vs tors. theta energy: -14.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -170.447923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.447923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.447923 (E_RNA)
where:
Base-Base interactions energy: -107.702
where: short stacking energy: -40.142
Base-Backbone interact. energy: -0.347
local terms energy: -62.398640
where:
bonds (distance) C4'-P energy: -18.176
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -3.245
tors. eta vs tors. theta energy: -6.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -157.849019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.849019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.849019 (E_RNA)
where:
Base-Base interactions energy: -86.693
where: short stacking energy: -44.111
Base-Backbone interact. energy: -0.161
local terms energy: -70.994848
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -18.292
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -9.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -98.191686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.191686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.191686 (E_RNA)
where:
Base-Base interactions energy: -42.730
where: short stacking energy: -38.265
Base-Backbone interact. energy: -0.220
local terms energy: -55.241852
where:
bonds (distance) C4'-P energy: -12.689
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -17.932
flat angles P-C4'-P energy: -3.099
tors. eta vs tors. theta energy: -3.809
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: 362
Temperature: 1.350000
Total energy: -85.987309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.987309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.987309 (E_RNA)
where:
Base-Base interactions energy: -25.150
where: short stacking energy: -25.150
Base-Backbone interact. energy: -0.111
local terms energy: -60.726078
where:
bonds (distance) C4'-P energy: -16.476
bonds (distance) P-C4' energy: -16.781
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -3.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -219.789455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.789455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.789455 (E_RNA)
where:
Base-Base interactions energy: -134.031
where: short stacking energy: -77.013
Base-Backbone interact. energy: -0.098
local terms energy: -85.660589
where:
bonds (distance) C4'-P energy: -18.589
bonds (distance) P-C4' energy: -19.647
flat angles C4'-P-C4' energy: -19.811
flat angles P-C4'-P energy: -7.996
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: 2, replica: 6
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -248.765362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.765362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.765362 (E_RNA)
where:
Base-Base interactions energy: -170.692
where: short stacking energy: -62.129
Base-Backbone interact. energy: -0.421
local terms energy: -77.652275
where:
bonds (distance) C4'-P energy: -17.428
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -16.983
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -15.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -213.848245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.848245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.848245 (E_RNA)
where:
Base-Base interactions energy: -127.695
where: short stacking energy: -71.058
Base-Backbone interact. energy: 0.085
local terms energy: -86.237920
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -17.532
flat angles C4'-P-C4' energy: -18.674
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -21.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -181.677433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.677433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.677433 (E_RNA)
where:
Base-Base interactions energy: -117.655
where: short stacking energy: -54.170
Base-Backbone interact. energy: -0.054
local terms energy: -63.968249
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -6.263
tors. eta vs tors. theta energy: -14.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -158.521853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.521853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.521853 (E_RNA)
where:
Base-Base interactions energy: -96.287
where: short stacking energy: -42.177
Base-Backbone interact. energy: -0.108
local terms energy: -62.126798
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -15.996
flat angles C4'-P-C4' energy: -11.931
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -6.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -188.663644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.663644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.663644 (E_RNA)
where:
Base-Base interactions energy: -126.093
where: short stacking energy: -54.215
Base-Backbone interact. energy: 0.449
local terms energy: -63.019987
where:
bonds (distance) C4'-P energy: -10.568
bonds (distance) P-C4' energy: -11.242
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -15.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -174.415744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.415744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.415744 (E_RNA)
where:
Base-Base interactions energy: -100.073
where: short stacking energy: -48.838
Base-Backbone interact. energy: -0.125
local terms energy: -74.217420
where:
bonds (distance) C4'-P energy: -11.185
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -17.816
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -15.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -163.915496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.915496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.915496 (E_RNA)
where:
Base-Base interactions energy: -97.088
where: short stacking energy: -43.928
Base-Backbone interact. energy: -0.837
local terms energy: -65.990449
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -7.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -104.473584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.473584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.473584 (E_RNA)
where:
Base-Base interactions energy: -53.408
where: short stacking energy: -30.435
Base-Backbone interact. energy: -0.271
local terms energy: -50.794290
where:
bonds (distance) C4'-P energy: -10.742
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: 1.727
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: 4
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -93.158417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.158417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.158417 (E_RNA)
where:
Base-Base interactions energy: -29.968
where: short stacking energy: -29.968
Base-Backbone interact. energy: 0.607
local terms energy: -63.796756
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -18.584
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -4.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -244.760606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.760606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.760606 (E_RNA)
where:
Base-Base interactions energy: -169.636
where: short stacking energy: -63.922
Base-Backbone interact. energy: -0.392
local terms energy: -74.732096
where:
bonds (distance) C4'-P energy: -17.727
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -8.294
tors. eta vs tors. theta energy: -17.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -217.080793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.080793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.080793 (E_RNA)
where:
Base-Base interactions energy: -143.905
where: short stacking energy: -69.055
Base-Backbone interact. energy: -0.359
local terms energy: -72.816810
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -10.667
flat angles P-C4'-P energy: -14.592
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: 3, replica: 8
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -218.108760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.108760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.108760 (E_RNA)
where:
Base-Base interactions energy: -130.342
where: short stacking energy: -78.248
Base-Backbone interact. energy: -0.217
local terms energy: -87.549778
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -18.072
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -13.935
tors. eta vs tors. theta energy: -21.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -178.866338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.866338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.866338 (E_RNA)
where:
Base-Base interactions energy: -112.740
where: short stacking energy: -53.542
Base-Backbone interact. energy: -1.537
local terms energy: -64.589915
where:
bonds (distance) C4'-P energy: -9.840
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -11.237
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: 5, replica: 10
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -182.020779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.020779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.020779 (E_RNA)
where:
Base-Base interactions energy: -114.104
where: short stacking energy: -52.651
Base-Backbone interact. energy: -0.064
local terms energy: -67.852312
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -13.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -186.408479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.408479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.408479 (E_RNA)
where:
Base-Base interactions energy: -126.304
where: short stacking energy: -53.252
Base-Backbone interact. energy: -0.215
local terms energy: -59.888981
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: -4.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -151.496435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.496435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.496435 (E_RNA)
where:
Base-Base interactions energy: -93.359
where: short stacking energy: -41.840
Base-Backbone interact. energy: -0.311
local terms energy: -57.827087
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -6.786
tors. eta vs tors. theta energy: -8.078
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: 3
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -155.766971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.766971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.766971 (E_RNA)
where:
Base-Base interactions energy: -96.568
where: short stacking energy: -43.420
Base-Backbone interact. energy: -0.631
local terms energy: -58.567578
where:
bonds (distance) C4'-P energy: -20.065
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -6.944
tors. eta vs tors. theta energy: -6.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -92.026401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.026401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.026401 (E_RNA)
where:
Base-Base interactions energy: -40.864
where: short stacking energy: -28.734
Base-Backbone interact. energy: 1.072
local terms energy: -52.234627
where:
bonds (distance) C4'-P energy: -18.047
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -12.754
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: 2.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -98.516537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.516537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.516537 (E_RNA)
where:
Base-Base interactions energy: -43.729
where: short stacking energy: -40.890
Base-Backbone interact. energy: -0.168
local terms energy: -54.619792
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -18.998
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -3.137
tors. eta vs tors. theta energy: -3.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -226.555127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.555127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.555127 (E_RNA)
where:
Base-Base interactions energy: -147.956
where: short stacking energy: -51.663
Base-Backbone interact. energy: -0.372
local terms energy: -78.227487
where:
bonds (distance) C4'-P energy: -18.111
bonds (distance) P-C4' energy: -19.141
flat angles C4'-P-C4' energy: -17.616
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -11.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -214.290851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.290851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.290851 (E_RNA)
where:
Base-Base interactions energy: -131.000
where: short stacking energy: -71.581
Base-Backbone interact. energy: -0.168
local terms energy: -83.122949
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -20.077
flat angles C4'-P-C4' energy: -16.651
flat angles P-C4'-P energy: -14.581
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: 3, replica: 8
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -227.635335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.635335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.635335 (E_RNA)
where:
Base-Base interactions energy: -147.957
where: short stacking energy: -73.139
Base-Backbone interact. energy: -0.622
local terms energy: -79.056694
where:
bonds (distance) C4'-P energy: -17.840
bonds (distance) P-C4' energy: -16.440
flat angles C4'-P-C4' energy: -12.170
flat angles P-C4'-P energy: -12.178
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: 4, replica: 10
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -199.084916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.084916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.084916 (E_RNA)
where:
Base-Base interactions energy: -121.485
where: short stacking energy: -70.231
Base-Backbone interact. energy: -0.163
local terms energy: -77.437050
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -18.449
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -9.437
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: 5, replica: 5
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -173.786257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.786257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.786257 (E_RNA)
where:
Base-Base interactions energy: -107.432
where: short stacking energy: -57.828
Base-Backbone interact. energy: 0.375
local terms energy: -66.729612
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -14.766
flat angles C4'-P-C4' energy: -19.030
flat angles P-C4'-P energy: -6.485
tors. eta vs tors. theta energy: -13.964
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: 9
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -181.571928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.571928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.571928 (E_RNA)
where:
Base-Base interactions energy: -106.928
where: short stacking energy: -50.744
Base-Backbone interact. energy: -0.335
local terms energy: -74.308969
where:
bonds (distance) C4'-P energy: -11.259
bonds (distance) P-C4' energy: -19.996
flat angles C4'-P-C4' energy: -18.052
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -13.894
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: 1
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -181.790734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.790734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.790734 (E_RNA)
where:
Base-Base interactions energy: -119.518
where: short stacking energy: -49.294
Base-Backbone interact. energy: -0.213
local terms energy: -62.059657
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -9.278
tors. eta vs tors. theta energy: -9.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -164.893870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.893870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.893870 (E_RNA)
where:
Base-Base interactions energy: -105.036
where: short stacking energy: -52.334
Base-Backbone interact. energy: 0.085
local terms energy: -59.942491
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -7.993
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -15.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -92.409023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.409023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.409023 (E_RNA)
where:
Base-Base interactions energy: -42.373
where: short stacking energy: -38.462
Base-Backbone interact. energy: -0.058
local terms energy: -49.978694
where:
bonds (distance) C4'-P energy: -7.527
bonds (distance) P-C4' energy: -18.138
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: -4.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -83.305380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.305380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.305380 (E_RNA)
where:
Base-Base interactions energy: -29.216
where: short stacking energy: -28.901
Base-Backbone interact. energy: 0.464
local terms energy: -54.553528
where:
bonds (distance) C4'-P energy: -6.478
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -12.535
tors. eta vs tors. theta energy: -5.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -236.631651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.631651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.631651 (E_RNA)
where:
Base-Base interactions energy: -161.294
where: short stacking energy: -55.535
Base-Backbone interact. energy: -0.275
local terms energy: -75.062141
where:
bonds (distance) C4'-P energy: -17.646
bonds (distance) P-C4' energy: -18.052
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -11.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -220.319725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.319725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.319725 (E_RNA)
where:
Base-Base interactions energy: -136.796
where: short stacking energy: -75.483
Base-Backbone interact. energy: -0.102
local terms energy: -83.421062
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -15.810
flat angles C4'-P-C4' energy: -17.256
flat angles P-C4'-P energy: -14.625
tors. eta vs tors. theta energy: -20.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -215.228561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.228561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.228561 (E_RNA)
where:
Base-Base interactions energy: -133.024
where: short stacking energy: -72.269
Base-Backbone interact. energy: -0.157
local terms energy: -82.047531
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -18.588
flat angles C4'-P-C4' energy: -18.249
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: -17.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -198.758902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.758902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.758902 (E_RNA)
where:
Base-Base interactions energy: -113.169
where: short stacking energy: -61.638
Base-Backbone interact. energy: 0.241
local terms energy: -85.831559
where:
bonds (distance) C4'-P energy: -17.490
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -17.773
flat angles P-C4'-P energy: -13.963
tors. eta vs tors. theta energy: -20.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -193.759089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.759089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.759089 (E_RNA)
where:
Base-Base interactions energy: -121.507
where: short stacking energy: -53.724
Base-Backbone interact. energy: 1.301
local terms energy: -73.553477
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -21.223
flat angles P-C4'-P energy: -5.691
tors. eta vs tors. theta energy: -16.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -184.767093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.767093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.767093 (E_RNA)
where:
Base-Base interactions energy: -115.257
where: short stacking energy: -63.678
Base-Backbone interact. energy: -0.268
local terms energy: -69.242745
where:
bonds (distance) C4'-P energy: -10.775
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -15.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -152.268535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.268535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.268535 (E_RNA)
where:
Base-Base interactions energy: -85.646
where: short stacking energy: -47.141
Base-Backbone interact. energy: -0.032
local terms energy: -66.590448
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -10.591
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: 8, replica: 1
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -133.493273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.493273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.493273 (E_RNA)
where:
Base-Base interactions energy: -78.910
where: short stacking energy: -46.273
Base-Backbone interact. energy: 0.938
local terms energy: -55.520538
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -11.610
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -5.700
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: 366
Temperature: 1.300000
Total energy: -89.300178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.300178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.300178 (E_RNA)
where:
Base-Base interactions energy: -23.337
where: short stacking energy: -20.645
Base-Backbone interact. energy: -0.613
local terms energy: -65.350094
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -20.828
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -5.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -92.729767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.729767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.729767 (E_RNA)
where:
Base-Base interactions energy: -31.190
where: short stacking energy: -31.033
Base-Backbone interact. energy: -0.269
local terms energy: -61.271112
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -3.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -224.154700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.154700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.154700 (E_RNA)
where:
Base-Base interactions energy: -149.775
where: short stacking energy: -51.374
Base-Backbone interact. energy: -0.714
local terms energy: -73.665249
where:
bonds (distance) C4'-P energy: -17.825
bonds (distance) P-C4' energy: -18.036
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -11.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -227.084580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.084580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.084580 (E_RNA)
where:
Base-Base interactions energy: -138.388
where: short stacking energy: -68.975
Base-Backbone interact. energy: 0.026
local terms energy: -88.722864
where:
bonds (distance) C4'-P energy: -18.757
bonds (distance) P-C4' energy: -19.070
flat angles C4'-P-C4' energy: -19.536
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -22.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -232.878656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.878656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.878656 (E_RNA)
where:
Base-Base interactions energy: -148.258
where: short stacking energy: -78.658
Base-Backbone interact. energy: 0.305
local terms energy: -84.925759
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -18.034
flat angles P-C4'-P energy: -10.174
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: 4, replica: 10
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -202.222114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.222114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.222114 (E_RNA)
where:
Base-Base interactions energy: -120.223
where: short stacking energy: -56.124
Base-Backbone interact. energy: -0.437
local terms energy: -81.562179
where:
bonds (distance) C4'-P energy: -17.365
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -11.939
tors. eta vs tors. theta energy: -17.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -191.904055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.904055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.904055 (E_RNA)
where:
Base-Base interactions energy: -127.440
where: short stacking energy: -56.214
Base-Backbone interact. energy: -0.112
local terms energy: -64.352158
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -10.313
flat angles P-C4'-P energy: -14.149
tors. eta vs tors. theta energy: -12.837
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: 9
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -179.607181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.607181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.607181 (E_RNA)
where:
Base-Base interactions energy: -110.948
where: short stacking energy: -53.597
Base-Backbone interact. energy: -0.256
local terms energy: -68.403152
where:
bonds (distance) C4'-P energy: -19.023
bonds (distance) P-C4' energy: -10.237
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -8.375
tors. eta vs tors. theta energy: -14.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -162.093354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.093354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.093354 (E_RNA)
where:
Base-Base interactions energy: -94.575
where: short stacking energy: -56.475
Base-Backbone interact. energy: 0.036
local terms energy: -67.554942
where:
bonds (distance) C4'-P energy: -8.606
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -17.774
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -15.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -116.237356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.237356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.237356 (E_RNA)
where:
Base-Base interactions energy: -52.992
where: short stacking energy: -31.609
Base-Backbone interact. energy: -0.090
local terms energy: -63.154628
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -1.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -118.325145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.325145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.325145 (E_RNA)
where:
Base-Base interactions energy: -61.065
where: short stacking energy: -35.424
Base-Backbone interact. energy: -0.452
local terms energy: -56.807425
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -10.041
flat angles P-C4'-P energy: -7.415
tors. eta vs tors. theta energy: -7.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -92.198569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.198569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.198569 (E_RNA)
where:
Base-Base interactions energy: -38.405
where: short stacking energy: -30.348
Base-Backbone interact. energy: -0.195
local terms energy: -53.598895
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -8.629
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: -3.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -221.354323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.354323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.354323 (E_RNA)
where:
Base-Base interactions energy: -143.957
where: short stacking energy: -75.058
Base-Backbone interact. energy: -0.160
local terms energy: -77.236870
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -18.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -239.164175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.164175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.164175 (E_RNA)
where:
Base-Base interactions energy: -153.825
where: short stacking energy: -75.363
Base-Backbone interact. energy: -0.644
local terms energy: -84.694925
where:
bonds (distance) C4'-P energy: -18.396
bonds (distance) P-C4' energy: -18.555
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -10.714
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: 3, replica: 2
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -230.900151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.900151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.900151 (E_RNA)
where:
Base-Base interactions energy: -151.278
where: short stacking energy: -83.464
Base-Backbone interact. energy: -0.081
local terms energy: -79.541363
where:
bonds (distance) C4'-P energy: -13.881
bonds (distance) P-C4' energy: -19.725
flat angles C4'-P-C4' energy: -21.007
flat angles P-C4'-P energy: -1.089
tors. eta vs tors. theta energy: -23.840
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: 10
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -201.151257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.151257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.151257 (E_RNA)
where:
Base-Base interactions energy: -121.168
where: short stacking energy: -58.577
Base-Backbone interact. energy: -0.059
local terms energy: -79.924685
where:
bonds (distance) C4'-P energy: -16.959
bonds (distance) P-C4' energy: -18.304
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -10.479
tors. eta vs tors. theta energy: -17.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -193.561613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.561613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.561613 (E_RNA)
where:
Base-Base interactions energy: -122.573
where: short stacking energy: -49.884
Base-Backbone interact. energy: -0.435
local terms energy: -70.553213
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -11.717
tors. eta vs tors. theta energy: -16.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -154.857088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.857088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.857088 (E_RNA)
where:
Base-Base interactions energy: -90.831
where: short stacking energy: -41.050
Base-Backbone interact. energy: -0.038
local terms energy: -63.987313
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -4.765
tors. eta vs tors. theta energy: -11.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -168.555259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.555259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.555259 (E_RNA)
where:
Base-Base interactions energy: -108.039
where: short stacking energy: -59.525
Base-Backbone interact. energy: -0.295
local terms energy: -60.221301
where:
bonds (distance) C4'-P energy: -9.060
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: -11.716
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: 7
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -119.300713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.300713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.300713 (E_RNA)
where:
Base-Base interactions energy: -59.197
where: short stacking energy: -41.580
Base-Backbone interact. energy: -0.747
local terms energy: -59.356798
where:
bonds (distance) C4'-P energy: -11.251
bonds (distance) P-C4' energy: -15.505
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -10.610
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: 1
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -124.486467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.486467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.486467 (E_RNA)
where:
Base-Base interactions energy: -70.675
where: short stacking energy: -29.427
Base-Backbone interact. energy: 0.969
local terms energy: -54.780238
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -6.208
tors. eta vs tors. theta energy: -1.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -82.450814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.450814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.450814 (E_RNA)
where:
Base-Base interactions energy: -33.913
where: short stacking energy: -18.555
Base-Backbone interact. energy: -0.708
local terms energy: -47.829436
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -9.850
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: 3.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -248.978244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.978244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.978244 (E_RNA)
where:
Base-Base interactions energy: -165.119
where: short stacking energy: -83.311
Base-Backbone interact. energy: -0.250
local terms energy: -83.609338
where:
bonds (distance) C4'-P energy: -16.407
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -16.959
flat angles P-C4'-P energy: -12.521
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: 2
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -235.494872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.494872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.494872 (E_RNA)
where:
Base-Base interactions energy: -152.039
where: short stacking energy: -77.391
Base-Backbone interact. energy: -0.098
local terms energy: -83.358072
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -17.790
flat angles C4'-P-C4' energy: -20.373
flat angles P-C4'-P energy: -7.506
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: 6
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -234.838947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.838947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.838947 (E_RNA)
where:
Base-Base interactions energy: -160.638
where: short stacking energy: -70.557
Base-Backbone interact. energy: 0.243
local terms energy: -74.444607
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -17.088
flat angles C4'-P-C4' energy: -18.285
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -14.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -201.302141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.302141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.302141 (E_RNA)
where:
Base-Base interactions energy: -134.819
where: short stacking energy: -65.505
Base-Backbone interact. energy: 0.568
local terms energy: -67.051105
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -18.659
flat angles P-C4'-P energy: -4.021
tors. eta vs tors. theta energy: -15.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -186.727753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.727753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.727753 (E_RNA)
where:
Base-Base interactions energy: -115.151
where: short stacking energy: -53.368
Base-Backbone interact. energy: -0.068
local terms energy: -71.508608
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -5.530
tors. eta vs tors. theta energy: -16.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -168.743241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.743241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.743241 (E_RNA)
where:
Base-Base interactions energy: -101.480
where: short stacking energy: -54.030
Base-Backbone interact. energy: -0.185
local terms energy: -67.078738
where:
bonds (distance) C4'-P energy: -17.510
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -10.037
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: 7, replica: 9
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -178.789166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.789166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.789166 (E_RNA)
where:
Base-Base interactions energy: -117.409
where: short stacking energy: -62.751
Base-Backbone interact. energy: -0.176
local terms energy: -61.204023
where:
bonds (distance) C4'-P energy: -10.647
bonds (distance) P-C4' energy: -13.291
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -8.931
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: 8, replica: 1
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -139.771276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.771276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.771276 (E_RNA)
where:
Base-Base interactions energy: -80.538
where: short stacking energy: -48.240
Base-Backbone interact. energy: -0.173
local terms energy: -59.059909
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -17.892
flat angles P-C4'-P energy: -3.626
tors. eta vs tors. theta energy: -9.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -107.981870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.981870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.981870 (E_RNA)
where:
Base-Base interactions energy: -54.667
where: short stacking energy: -40.868
Base-Backbone interact. energy: -0.168
local terms energy: -53.146631
where:
bonds (distance) C4'-P energy: -8.658
bonds (distance) P-C4' energy: -19.730
flat angles C4'-P-C4' energy: -10.624
flat angles P-C4'-P energy: -9.061
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: 10, replica: 4
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -76.908589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.908589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.908589 (E_RNA)
where:
Base-Base interactions energy: -21.873
where: short stacking energy: -19.949
Base-Backbone interact. energy: -0.346
local terms energy: -54.689149
where:
bonds (distance) C4'-P energy: -17.455
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -6.170
tors. eta vs tors. theta energy: -1.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -245.914472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.914472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.914472 (E_RNA)
where:
Base-Base interactions energy: -153.802
where: short stacking energy: -77.779
Base-Backbone interact. energy: -0.151
local terms energy: -91.961574
where:
bonds (distance) C4'-P energy: -16.000
bonds (distance) P-C4' energy: -18.585
flat angles C4'-P-C4' energy: -19.178
flat angles P-C4'-P energy: -16.923
tors. eta vs tors. theta energy: -21.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -223.607981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.607981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.607981 (E_RNA)
where:
Base-Base interactions energy: -135.732
where: short stacking energy: -83.224
Base-Backbone interact. energy: 0.349
local terms energy: -88.225360
where:
bonds (distance) C4'-P energy: -17.665
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -17.098
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -24.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -224.910045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.910045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.910045 (E_RNA)
where:
Base-Base interactions energy: -146.635
where: short stacking energy: -68.786
Base-Backbone interact. energy: -0.385
local terms energy: -77.889664
where:
bonds (distance) C4'-P energy: -17.822
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: -13.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -230.753201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.753201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.753201 (E_RNA)
where:
Base-Base interactions energy: -152.167
where: short stacking energy: -67.878
Base-Backbone interact. energy: -0.277
local terms energy: -78.309777
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -17.085
flat angles P-C4'-P energy: -9.418
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: 5, replica: 3
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -171.712293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.712293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.712293 (E_RNA)
where:
Base-Base interactions energy: -104.243
where: short stacking energy: -59.880
Base-Backbone interact. energy: -0.004
local terms energy: -67.465189
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -11.424
flat angles C4'-P-C4' energy: -18.897
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -13.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -179.987971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.987971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.987971 (E_RNA)
where:
Base-Base interactions energy: -108.274
where: short stacking energy: -55.866
Base-Backbone interact. energy: -0.251
local terms energy: -71.462833
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -17.236
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -15.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -139.441596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.441596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.441596 (E_RNA)
where:
Base-Base interactions energy: -81.414
where: short stacking energy: -44.683
Base-Backbone interact. energy: 1.680
local terms energy: -59.707906
where:
bonds (distance) C4'-P energy: -12.051
bonds (distance) P-C4' energy: -17.908
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -1.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -175.083191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.083191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.083191 (E_RNA)
where:
Base-Base interactions energy: -107.557
where: short stacking energy: -53.632
Base-Backbone interact. energy: -0.037
local terms energy: -67.489544
where:
bonds (distance) C4'-P energy: -12.312
bonds (distance) P-C4' energy: -15.743
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -13.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -106.551018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.551018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.551018 (E_RNA)
where:
Base-Base interactions energy: -50.142
where: short stacking energy: -46.047
Base-Backbone interact. energy: -0.264
local terms energy: -56.144864
where:
bonds (distance) C4'-P energy: -8.939
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -6.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -86.324273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.324273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.324273 (E_RNA)
where:
Base-Base interactions energy: -38.231
where: short stacking energy: -29.813
Base-Backbone interact. energy: -0.335
local terms energy: -47.758349
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -11.308
flat angles C4'-P-C4' energy: -11.711
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -2.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -250.057197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.057197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.057197 (E_RNA)
where:
Base-Base interactions energy: -160.067
where: short stacking energy: -75.567
Base-Backbone interact. energy: -0.105
local terms energy: -89.885817
where:
bonds (distance) C4'-P energy: -17.982
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -14.307
tors. eta vs tors. theta energy: -22.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -222.572706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.572706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.572706 (E_RNA)
where:
Base-Base interactions energy: -145.058
where: short stacking energy: -61.604
Base-Backbone interact. energy: -0.537
local terms energy: -76.977599
where:
bonds (distance) C4'-P energy: -15.384
bonds (distance) P-C4' energy: -19.766
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -10.566
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: 3, replica: 8
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -216.302187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.302187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.302187 (E_RNA)
where:
Base-Base interactions energy: -137.655
where: short stacking energy: -66.756
Base-Backbone interact. energy: -0.126
local terms energy: -78.521654
where:
bonds (distance) C4'-P energy: -18.109
bonds (distance) P-C4' energy: -18.551
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -13.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -225.399693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.399693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.399693 (E_RNA)
where:
Base-Base interactions energy: -147.107
where: short stacking energy: -75.292
Base-Backbone interact. energy: -0.326
local terms energy: -77.965783
where:
bonds (distance) C4'-P energy: -17.866
bonds (distance) P-C4' energy: -18.245
flat angles C4'-P-C4' energy: -10.121
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -21.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -161.536664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.536664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.536664 (E_RNA)
where:
Base-Base interactions energy: -84.085
where: short stacking energy: -42.840
Base-Backbone interact. energy: -0.957
local terms energy: -76.494638
where:
bonds (distance) C4'-P energy: -17.639
bonds (distance) P-C4' energy: -18.989
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -13.353
tors. eta vs tors. theta energy: -11.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -177.494299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.494299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.494299 (E_RNA)
where:
Base-Base interactions energy: -110.619
where: short stacking energy: -60.290
Base-Backbone interact. energy: -0.130
local terms energy: -66.744762
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -9.832
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: 1
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -144.533435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.533435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.533435 (E_RNA)
where:
Base-Base interactions energy: -73.611
where: short stacking energy: -43.894
Base-Backbone interact. energy: -0.193
local terms energy: -70.728963
where:
bonds (distance) C4'-P energy: -16.951
bonds (distance) P-C4' energy: -18.532
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -13.897
tors. eta vs tors. theta energy: -6.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -164.085127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.085127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.085127 (E_RNA)
where:
Base-Base interactions energy: -102.435
where: short stacking energy: -45.596
Base-Backbone interact. energy: -0.053
local terms energy: -61.596888
where:
bonds (distance) C4'-P energy: -16.456
bonds (distance) P-C4' energy: -18.947
flat angles C4'-P-C4' energy: -11.536
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -5.324
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: 9, replica: 4
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -118.191198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.191198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.191198 (E_RNA)
where:
Base-Base interactions energy: -69.331
where: short stacking energy: -35.477
Base-Backbone interact. energy: 0.343
local terms energy: -49.203273
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -11.281
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -0.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -85.260558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.260558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.260558 (E_RNA)
where:
Base-Base interactions energy: -31.352
where: short stacking energy: -25.227
Base-Backbone interact. energy: -0.520
local terms energy: -53.388439
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -9.820
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -0.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -246.165220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.165220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.165220 (E_RNA)
where:
Base-Base interactions energy: -163.654
where: short stacking energy: -83.317
Base-Backbone interact. energy: -0.097
local terms energy: -82.414348
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -18.915
flat angles C4'-P-C4' energy: -18.171
flat angles P-C4'-P energy: -8.782
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: 2, replica: 10
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -223.515208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.515208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.515208 (E_RNA)
where:
Base-Base interactions energy: -141.032
where: short stacking energy: -78.304
Base-Backbone interact. energy: -0.524
local terms energy: -81.959372
where:
bonds (distance) C4'-P energy: -17.975
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -19.642
flat angles P-C4'-P energy: -9.712
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: 6
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -223.399594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.399594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.399594 (E_RNA)
where:
Base-Base interactions energy: -144.712
where: short stacking energy: -56.431
Base-Backbone interact. energy: -0.702
local terms energy: -77.985981
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -12.925
tors. eta vs tors. theta energy: -17.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -209.907569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.907569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.907569 (E_RNA)
where:
Base-Base interactions energy: -128.863
where: short stacking energy: -62.916
Base-Backbone interact. energy: -0.164
local terms energy: -80.879971
where:
bonds (distance) C4'-P energy: -15.898
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -20.852
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -16.634
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: 5
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -197.761919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.761919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.761919 (E_RNA)
where:
Base-Base interactions energy: -121.263
where: short stacking energy: -54.075
Base-Backbone interact. energy: -0.071
local terms energy: -76.427507
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -18.047
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -19.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -148.688201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.688201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.688201 (E_RNA)
where:
Base-Base interactions energy: -95.251
where: short stacking energy: -39.641
Base-Backbone interact. energy: -0.321
local terms energy: -53.116142
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -9.068
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -4.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -150.402336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.402336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.402336 (E_RNA)
where:
Base-Base interactions energy: -78.930
where: short stacking energy: -33.826
Base-Backbone interact. energy: -0.027
local terms energy: -71.444717
where:
bonds (distance) C4'-P energy: -18.375
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -11.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -158.835938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.835938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.835938 (E_RNA)
where:
Base-Base interactions energy: -105.202
where: short stacking energy: -37.570
Base-Backbone interact. energy: 0.176
local terms energy: -53.810398
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -10.318
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -10.207
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: 7
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -93.234712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.234712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.234712 (E_RNA)
where:
Base-Base interactions energy: -27.933
where: short stacking energy: -21.694
Base-Backbone interact. energy: -0.207
local terms energy: -65.094208
where:
bonds (distance) C4'-P energy: -17.846
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -5.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -90.440059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.440059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.440059 (E_RNA)
where:
Base-Base interactions energy: -44.564
where: short stacking energy: -20.013
Base-Backbone interact. energy: -0.402
local terms energy: -45.474385
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -18.072
flat angles C4'-P-C4' energy: -9.782
flat angles P-C4'-P energy: -6.986
tors. eta vs tors. theta energy: 2.588
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: 2
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -232.372463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.372463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.372463 (E_RNA)
where:
Base-Base interactions energy: -143.729
where: short stacking energy: -73.772
Base-Backbone interact. energy: -0.041
local terms energy: -88.602487
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -19.559
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -21.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -244.808831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.808831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.808831 (E_RNA)
where:
Base-Base interactions energy: -158.836
where: short stacking energy: -57.255
Base-Backbone interact. energy: -1.859
local terms energy: -84.114235
where:
bonds (distance) C4'-P energy: -17.758
bonds (distance) P-C4' energy: -14.098
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -13.234
tors. eta vs tors. theta energy: -21.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -202.964816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.964816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.964816 (E_RNA)
where:
Base-Base interactions energy: -130.520
where: short stacking energy: -67.890
Base-Backbone interact. energy: 0.448
local terms energy: -72.893427
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -17.400
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -17.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -206.036174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.036174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.036174 (E_RNA)
where:
Base-Base interactions energy: -129.694
where: short stacking energy: -63.350
Base-Backbone interact. energy: -0.117
local terms energy: -76.225231
where:
bonds (distance) C4'-P energy: -17.574
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -17.873
flat angles P-C4'-P energy: -14.473
tors. eta vs tors. theta energy: -11.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -181.363399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.363399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.363399 (E_RNA)
where:
Base-Base interactions energy: -107.652
where: short stacking energy: -56.474
Base-Backbone interact. energy: -0.042
local terms energy: -73.669882
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -13.810
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: 6, replica: 1
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -134.780987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.780987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.780987 (E_RNA)
where:
Base-Base interactions energy: -82.971
where: short stacking energy: -39.661
Base-Backbone interact. energy: -0.208
local terms energy: -51.601872
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -12.760
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: 1.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -159.333762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.333762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.333762 (E_RNA)
where:
Base-Base interactions energy: -94.626
where: short stacking energy: -52.718
Base-Backbone interact. energy: -0.184
local terms energy: -64.524109
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -11.924
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: 7
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -100.382511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.382511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.382511 (E_RNA)
where:
Base-Base interactions energy: -44.994
where: short stacking energy: -44.994
Base-Backbone interact. energy: -0.039
local terms energy: -55.348909
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -12.369
flat angles C4'-P-C4' energy: -17.087
flat angles P-C4'-P energy: 1.072
tors. eta vs tors. theta energy: -9.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -166.385422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.385422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.385422 (E_RNA)
where:
Base-Base interactions energy: -102.739
where: short stacking energy: -52.984
Base-Backbone interact. energy: -0.378
local terms energy: -63.268084
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -17.014
flat angles C4'-P-C4' energy: -9.402
flat angles P-C4'-P energy: -8.175
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: 10, replica: 4
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -86.195635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.195635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.195635 (E_RNA)
where:
Base-Base interactions energy: -39.298
where: short stacking energy: -33.418
Base-Backbone interact. energy: -0.490
local terms energy: -46.407787
where:
bonds (distance) C4'-P energy: -11.836
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -11.314
flat angles P-C4'-P energy: -3.081
tors. eta vs tors. theta energy: -3.362
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: 6
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -248.608473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.608473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.608473 (E_RNA)
where:
Base-Base interactions energy: -163.956
where: short stacking energy: -66.093
Base-Backbone interact. energy: -0.428
local terms energy: -84.224340
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -19.535
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -22.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -229.496879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.496879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.496879 (E_RNA)
where:
Base-Base interactions energy: -149.417
where: short stacking energy: -72.375
Base-Backbone interact. energy: -0.176
local terms energy: -79.903408
where:
bonds (distance) C4'-P energy: -17.422
bonds (distance) P-C4' energy: -14.221
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -13.021
tors. eta vs tors. theta energy: -18.305
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: 374
Temperature: 1.000000
Total energy: -219.306782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.306782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.306782 (E_RNA)
where:
Base-Base interactions energy: -141.105
where: short stacking energy: -75.542
Base-Backbone interact. energy: -0.045
local terms energy: -78.156715
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -17.954
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -18.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -185.867251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.867251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.867251 (E_RNA)
where:
Base-Base interactions energy: -117.557
where: short stacking energy: -59.099
Base-Backbone interact. energy: -0.225
local terms energy: -68.084791
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -19.820
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -6.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -190.557917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.557917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.557917 (E_RNA)
where:
Base-Base interactions energy: -118.490
where: short stacking energy: -49.222
Base-Backbone interact. energy: -0.019
local terms energy: -72.048385
where:
bonds (distance) C4'-P energy: -17.840
bonds (distance) P-C4' energy: -17.976
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -10.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -163.237204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.237204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.237204 (E_RNA)
where:
Base-Base interactions energy: -98.806
where: short stacking energy: -37.159
Base-Backbone interact. energy: -0.081
local terms energy: -64.350436
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -3.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -190.807391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.807391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.807391 (E_RNA)
where:
Base-Base interactions energy: -120.421
where: short stacking energy: -60.904
Base-Backbone interact. energy: -0.115
local terms energy: -70.271416
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -15.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -106.946713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.946713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.946713 (E_RNA)
where:
Base-Base interactions energy: -43.326
where: short stacking energy: -32.452
Base-Backbone interact. energy: 0.047
local terms energy: -63.667610
where:
bonds (distance) C4'-P energy: -17.038
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -5.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -181.907611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.907611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.907611 (E_RNA)
where:
Base-Base interactions energy: -117.587
where: short stacking energy: -52.858
Base-Backbone interact. energy: -0.148
local terms energy: -64.172256
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -10.139
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -11.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -82.795333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.795333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.795333 (E_RNA)
where:
Base-Base interactions energy: -28.161
where: short stacking energy: -22.555
Base-Backbone interact. energy: 1.864
local terms energy: -56.497630
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -10.480
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: -0.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -242.669379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.669379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.669379 (E_RNA)
where:
Base-Base interactions energy: -153.301
where: short stacking energy: -77.775
Base-Backbone interact. energy: -0.659
local terms energy: -88.709064
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -16.906
flat angles C4'-P-C4' energy: -17.828
flat angles P-C4'-P energy: -12.657
tors. eta vs tors. theta energy: -24.879
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: 375
Temperature: 0.950000
Total energy: -224.232368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.232368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.232368 (E_RNA)
where:
Base-Base interactions energy: -147.233
where: short stacking energy: -72.409
Base-Backbone interact. energy: -0.064
local terms energy: -76.935181
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -18.245
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -16.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -214.037016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.037016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.037016 (E_RNA)
where:
Base-Base interactions energy: -139.840
where: short stacking energy: -65.443
Base-Backbone interact. energy: -0.302
local terms energy: -73.895749
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -15.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -199.498321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.498321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.498321 (E_RNA)
where:
Base-Base interactions energy: -128.283
where: short stacking energy: -59.075
Base-Backbone interact. energy: -0.105
local terms energy: -71.110513
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -19.351
flat angles P-C4'-P energy: -5.151
tors. eta vs tors. theta energy: -15.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -184.912322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.912322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.912322 (E_RNA)
where:
Base-Base interactions energy: -115.550
where: short stacking energy: -53.094
Base-Backbone interact. energy: 2.417
local terms energy: -71.779383
where:
bonds (distance) C4'-P energy: -16.904
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -13.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -189.814583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.814583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.814583 (E_RNA)
where:
Base-Base interactions energy: -109.547
where: short stacking energy: -59.394
Base-Backbone interact. energy: -0.571
local terms energy: -79.696175
where:
bonds (distance) C4'-P energy: -19.414
bonds (distance) P-C4' energy: -14.845
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -16.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -143.087289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.087289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.087289 (E_RNA)
where:
Base-Base interactions energy: -83.574
where: short stacking energy: -44.679
Base-Backbone interact. energy: -0.701
local terms energy: -58.812516
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -9.312
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -14.774
tors. eta vs tors. theta energy: -8.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -138.963356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.963356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.963356 (E_RNA)
where:
Base-Base interactions energy: -76.635
where: short stacking energy: -41.463
Base-Backbone interact. energy: -0.085
local terms energy: -62.243549
where:
bonds (distance) C4'-P energy: -10.168
bonds (distance) P-C4' energy: -18.762
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -8.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -85.729589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.729589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.729589 (E_RNA)
where:
Base-Base interactions energy: -35.033
where: short stacking energy: -23.583
Base-Backbone interact. energy: 1.183
local terms energy: -51.880044
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -13.303
tors. eta vs tors. theta energy: 4.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -94.477634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.477634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.477634 (E_RNA)
where:
Base-Base interactions energy: -39.275
where: short stacking energy: -36.042
Base-Backbone interact. energy: -0.234
local terms energy: -54.968158
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -14.260
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -8.048
tors. eta vs tors. theta energy: -6.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -233.611562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.611562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.611562 (E_RNA)
where:
Base-Base interactions energy: -151.007
where: short stacking energy: -76.230
Base-Backbone interact. energy: -0.054
local terms energy: -82.550494
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -21.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -235.404325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.404325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.404325 (E_RNA)
where:
Base-Base interactions energy: -148.827
where: short stacking energy: -67.813
Base-Backbone interact. energy: -0.528
local terms energy: -86.049725
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -17.435
flat angles P-C4'-P energy: -15.589
tors. eta vs tors. theta energy: -22.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -214.355713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.355713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.355713 (E_RNA)
where:
Base-Base interactions energy: -130.651
where: short stacking energy: -64.196
Base-Backbone interact. energy: -0.088
local terms energy: -83.617331
where:
bonds (distance) C4'-P energy: -18.938
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -19.002
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: -16.116
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: 8
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -209.794465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.794465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.794465 (E_RNA)
where:
Base-Base interactions energy: -140.041
where: short stacking energy: -56.355
Base-Backbone interact. energy: 0.443
local terms energy: -70.196716
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -17.670
flat angles P-C4'-P energy: -7.202
tors. eta vs tors. theta energy: -14.674
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: 3
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -195.618923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.618923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.618923 (E_RNA)
where:
Base-Base interactions energy: -125.890
where: short stacking energy: -68.323
Base-Backbone interact. energy: -0.009
local terms energy: -69.720641
where:
bonds (distance) C4'-P energy: -8.473
bonds (distance) P-C4' energy: -16.137
flat angles C4'-P-C4' energy: -17.218
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -17.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -184.533560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.533560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.533560 (E_RNA)
where:
Base-Base interactions energy: -124.467
where: short stacking energy: -55.652
Base-Backbone interact. energy: -0.158
local terms energy: -59.908202
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -10.271
flat angles P-C4'-P energy: -8.368
tors. eta vs tors. theta energy: -15.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -169.899444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.899444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.899444 (E_RNA)
where:
Base-Base interactions energy: -101.447
where: short stacking energy: -54.884
Base-Backbone interact. energy: -0.051
local terms energy: -68.400482
where:
bonds (distance) C4'-P energy: -17.284
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: -7.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -145.623823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.623823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.623823 (E_RNA)
where:
Base-Base interactions energy: -80.521
where: short stacking energy: -43.555
Base-Backbone interact. energy: -0.035
local terms energy: -65.067655
where:
bonds (distance) C4'-P energy: -19.333
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -12.427
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -6.527
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: 4
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -91.783751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.783751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.783751 (E_RNA)
where:
Base-Base interactions energy: -45.590
where: short stacking energy: -27.253
Base-Backbone interact. energy: -0.401
local terms energy: -45.792265
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -10.095
flat angles P-C4'-P energy: -11.860
tors. eta vs tors. theta energy: 0.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -96.149828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.149828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.149828 (E_RNA)
where:
Base-Base interactions energy: -48.497
where: short stacking energy: -38.178
Base-Backbone interact. energy: -0.205
local terms energy: -47.448056
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -5.623
flat angles P-C4'-P energy: -9.716
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: 10
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -235.778488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.778488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.778488 (E_RNA)
where:
Base-Base interactions energy: -147.885
where: short stacking energy: -75.607
Base-Backbone interact. energy: -0.095
local terms energy: -87.798265
where:
bonds (distance) C4'-P energy: -19.548
bonds (distance) P-C4' energy: -17.522
flat angles C4'-P-C4' energy: -16.899
flat angles P-C4'-P energy: -12.793
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: 2, replica: 2
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -227.236010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.236010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.236010 (E_RNA)
where:
Base-Base interactions energy: -148.438
where: short stacking energy: -88.517
Base-Backbone interact. energy: -0.066
local terms energy: -78.732079
where:
bonds (distance) C4'-P energy: -13.737
bonds (distance) P-C4' energy: -17.971
flat angles C4'-P-C4' energy: -17.347
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -22.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -232.117279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.117279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.117279 (E_RNA)
where:
Base-Base interactions energy: -156.515
where: short stacking energy: -71.858
Base-Backbone interact. energy: -0.492
local terms energy: -75.109711
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -14.780
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -12.649
tors. eta vs tors. theta energy: -19.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -213.747095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.747095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.747095 (E_RNA)
where:
Base-Base interactions energy: -128.313
where: short stacking energy: -61.706
Base-Backbone interact. energy: -0.040
local terms energy: -85.393977
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -18.003
flat angles P-C4'-P energy: -13.867
tors. eta vs tors. theta energy: -19.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -196.714150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.714150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.714150 (E_RNA)
where:
Base-Base interactions energy: -124.636
where: short stacking energy: -59.066
Base-Backbone interact. energy: -0.159
local terms energy: -71.919339
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -16.720
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -15.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -171.186319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.186319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.186319 (E_RNA)
where:
Base-Base interactions energy: -97.010
where: short stacking energy: -44.537
Base-Backbone interact. energy: -0.162
local terms energy: -74.013823
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -13.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -165.194462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.194462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.194462 (E_RNA)
where:
Base-Base interactions energy: -95.814
where: short stacking energy: -43.349
Base-Backbone interact. energy: -0.020
local terms energy: -69.360564
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -12.490
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: 1
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -133.748464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.748464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.748464 (E_RNA)
where:
Base-Base interactions energy: -67.192
where: short stacking energy: -37.491
Base-Backbone interact. energy: -0.242
local terms energy: -66.314288
where:
bonds (distance) C4'-P energy: -15.343
bonds (distance) P-C4' energy: -17.875
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -8.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -92.882008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.882008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.882008 (E_RNA)
where:
Base-Base interactions energy: -37.275
where: short stacking energy: -25.480
Base-Backbone interact. energy: 0.359
local terms energy: -55.966013
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -2.847
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: 7
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -89.848993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.848993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.848993 (E_RNA)
where:
Base-Base interactions energy: -25.653
where: short stacking energy: -16.502
Base-Backbone interact. energy: -1.081
local terms energy: -63.115342
where:
bonds (distance) C4'-P energy: -18.148
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -1.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -237.306013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.306013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.306013 (E_RNA)
where:
Base-Base interactions energy: -152.754
where: short stacking energy: -70.445
Base-Backbone interact. energy: -0.080
local terms energy: -84.472020
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -18.794
flat angles C4'-P-C4' energy: -19.650
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -19.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -219.115886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.115886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.115886 (E_RNA)
where:
Base-Base interactions energy: -136.473
where: short stacking energy: -75.760
Base-Backbone interact. energy: -0.067
local terms energy: -82.575671
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -20.097
flat angles P-C4'-P energy: -11.480
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: 6
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -239.622675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.622675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.622675 (E_RNA)
where:
Base-Base interactions energy: -155.001
where: short stacking energy: -63.857
Base-Backbone interact. energy: -0.713
local terms energy: -83.908852
where:
bonds (distance) C4'-P energy: -18.131
bonds (distance) P-C4' energy: -18.039
flat angles C4'-P-C4' energy: -19.126
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -17.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -212.816700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.816700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.816700 (E_RNA)
where:
Base-Base interactions energy: -134.339
where: short stacking energy: -75.482
Base-Backbone interact. energy: -0.008
local terms energy: -78.469133
where:
bonds (distance) C4'-P energy: -19.982
bonds (distance) P-C4' energy: -17.870
flat angles C4'-P-C4' energy: -9.914
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -20.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -199.879744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.879744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.879744 (E_RNA)
where:
Base-Base interactions energy: -129.497
where: short stacking energy: -59.150
Base-Backbone interact. energy: -0.267
local terms energy: -70.115909
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -12.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -176.757832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.757832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.757832 (E_RNA)
where:
Base-Base interactions energy: -109.703
where: short stacking energy: -54.124
Base-Backbone interact. energy: -0.007
local terms energy: -67.047808
where:
bonds (distance) C4'-P energy: -10.428
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -10.916
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: 1
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -137.165537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.165537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.165537 (E_RNA)
where:
Base-Base interactions energy: -83.445
where: short stacking energy: -41.641
Base-Backbone interact. energy: -0.120
local terms energy: -53.601290
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -8.020
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: 5
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -152.057212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.057212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.057212 (E_RNA)
where:
Base-Base interactions energy: -87.895
where: short stacking energy: -36.615
Base-Backbone interact. energy: 1.007
local terms energy: -65.169077
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -15.029
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: 7
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -101.792191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.792191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.792191 (E_RNA)
where:
Base-Base interactions energy: -43.555
where: short stacking energy: -43.555
Base-Backbone interact. energy: -0.174
local terms energy: -58.063201
where:
bonds (distance) C4'-P energy: -11.261
bonds (distance) P-C4' energy: -19.113
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -7.851
tors. eta vs tors. theta energy: -6.581
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: 10, replica: 4
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -84.199744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.199744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.199744 (E_RNA)
where:
Base-Base interactions energy: -28.766
where: short stacking energy: -26.991
Base-Backbone interact. energy: -0.122
local terms energy: -55.312084
where:
bonds (distance) C4'-P energy: -11.085
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -6.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -235.622328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.622328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.622328 (E_RNA)
where:
Base-Base interactions energy: -153.567
where: short stacking energy: -74.690
Base-Backbone interact. energy: -0.171
local terms energy: -81.884244
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -12.799
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: 2, replica: 6
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -240.677096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.677096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.677096 (E_RNA)
where:
Base-Base interactions energy: -153.626
where: short stacking energy: -67.803
Base-Backbone interact. energy: -0.105
local terms energy: -86.946597
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -17.744
flat angles C4'-P-C4' energy: -17.884
flat angles P-C4'-P energy: -14.445
tors. eta vs tors. theta energy: -20.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -211.199300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.199300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.199300 (E_RNA)
where:
Base-Base interactions energy: -130.785
where: short stacking energy: -68.346
Base-Backbone interact. energy: 0.737
local terms energy: -81.150836
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -20.110
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -13.609
tors. eta vs tors. theta energy: -16.823
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: 4, replica: 8
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -208.624663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.624663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.624663 (E_RNA)
where:
Base-Base interactions energy: -126.850
where: short stacking energy: -63.583
Base-Backbone interact. energy: -0.047
local terms energy: -81.727323
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -11.953
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: 5, replica: 3
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -184.905197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.905197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.905197 (E_RNA)
where:
Base-Base interactions energy: -113.260
where: short stacking energy: -50.530
Base-Backbone interact. energy: -0.015
local terms energy: -71.630197
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -19.024
flat angles C4'-P-C4' energy: -12.816
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: -15.127
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: 1
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -153.177170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.177170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.177170 (E_RNA)
where:
Base-Base interactions energy: -89.919
where: short stacking energy: -54.590
Base-Backbone interact. energy: 0.323
local terms energy: -63.581149
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -9.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -171.867033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.867033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.867033 (E_RNA)
where:
Base-Base interactions energy: -104.730
where: short stacking energy: -54.377
Base-Backbone interact. energy: -0.055
local terms energy: -67.082648
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -2.872
tors. eta vs tors. theta energy: -17.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -167.789459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.789459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.789459 (E_RNA)
where:
Base-Base interactions energy: -100.994
where: short stacking energy: -44.810
Base-Backbone interact. energy: -0.215
local terms energy: -66.580274
where:
bonds (distance) C4'-P energy: -18.818
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -10.182
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -12.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -85.836065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.836065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.836065 (E_RNA)
where:
Base-Base interactions energy: -32.299
where: short stacking energy: -32.141
Base-Backbone interact. energy: -0.037
local terms energy: -53.500009
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -18.064
flat angles C4'-P-C4' energy: -9.291
flat angles P-C4'-P energy: -5.038
tors. eta vs tors. theta energy: -7.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -83.720909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.720909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.720909 (E_RNA)
where:
Base-Base interactions energy: -26.606
where: short stacking energy: -26.440
Base-Backbone interact. energy: -0.091
local terms energy: -57.024499
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -17.976
flat angles C4'-P-C4' energy: -7.729
flat angles P-C4'-P energy: -13.598
tors. eta vs tors. theta energy: -2.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -237.293855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.293855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.293855 (E_RNA)
where:
Base-Base interactions energy: -149.920
where: short stacking energy: -65.913
Base-Backbone interact. energy: -0.531
local terms energy: -86.842585
where:
bonds (distance) C4'-P energy: -17.224
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -21.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -232.838930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.838930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.838930 (E_RNA)
where:
Base-Base interactions energy: -146.504
where: short stacking energy: -75.602
Base-Backbone interact. energy: -0.206
local terms energy: -86.128992
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -18.817
flat angles C4'-P-C4' energy: -20.920
flat angles P-C4'-P energy: -12.302
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: 3, replica: 8
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -210.012158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.012158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.012158 (E_RNA)
where:
Base-Base interactions energy: -134.261
where: short stacking energy: -61.544
Base-Backbone interact. energy: 0.303
local terms energy: -76.054685
where:
bonds (distance) C4'-P energy: -17.194
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -16.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -214.818906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.818906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.818906 (E_RNA)
where:
Base-Base interactions energy: -139.325
where: short stacking energy: -65.036
Base-Backbone interact. energy: 0.908
local terms energy: -76.402531
where:
bonds (distance) C4'-P energy: -17.841
bonds (distance) P-C4' energy: -18.534
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -15.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -194.094646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.094646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.094646 (E_RNA)
where:
Base-Base interactions energy: -123.673
where: short stacking energy: -61.067
Base-Backbone interact. energy: -0.151
local terms energy: -70.270922
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -19.334
flat angles C4'-P-C4' energy: -11.326
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -14.293
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: 1
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -157.276278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.276278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.276278 (E_RNA)
where:
Base-Base interactions energy: -90.824
where: short stacking energy: -50.763
Base-Backbone interact. energy: -0.017
local terms energy: -66.435470
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -11.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -151.247386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.247386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.247386 (E_RNA)
where:
Base-Base interactions energy: -87.278
where: short stacking energy: -50.445
Base-Backbone interact. energy: -0.100
local terms energy: -63.869806
where:
bonds (distance) C4'-P energy: -14.692
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -13.326
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -9.097
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: 9
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -175.852955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.852955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.852955 (E_RNA)
where:
Base-Base interactions energy: -103.757
where: short stacking energy: -51.871
Base-Backbone interact. energy: -0.069
local terms energy: -72.026502
where:
bonds (distance) C4'-P energy: -8.084
bonds (distance) P-C4' energy: -17.201
flat angles C4'-P-C4' energy: -19.822
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: -15.448
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: 9, replica: 4
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -96.032619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.032619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.032619 (E_RNA)
where:
Base-Base interactions energy: -42.801
where: short stacking energy: -42.801
Base-Backbone interact. energy: -0.237
local terms energy: -52.994788
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -8.970
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: 380
Temperature: 1.350000
Total energy: -99.218408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.218408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.218408 (E_RNA)
where:
Base-Base interactions energy: -32.442
where: short stacking energy: -20.215
Base-Backbone interact. energy: -0.124
local terms energy: -66.652350
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: -1.683
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: 6
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -244.737554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.737554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.737554 (E_RNA)
where:
Base-Base interactions energy: -154.769
where: short stacking energy: -78.777
Base-Backbone interact. energy: -0.392
local terms energy: -89.576139
where:
bonds (distance) C4'-P energy: -18.098
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -17.607
flat angles P-C4'-P energy: -11.360
tors. eta vs tors. theta energy: -23.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -215.442518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.442518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.442518 (E_RNA)
where:
Base-Base interactions energy: -131.363
where: short stacking energy: -77.091
Base-Backbone interact. energy: -0.112
local terms energy: -83.966921
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -18.326
flat angles C4'-P-C4' energy: -19.305
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -18.386
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: 10
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -211.546534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.546534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.546534 (E_RNA)
where:
Base-Base interactions energy: -136.722
where: short stacking energy: -63.072
Base-Backbone interact. energy: -0.103
local terms energy: -74.721265
where:
bonds (distance) C4'-P energy: -16.397
bonds (distance) P-C4' energy: -20.806
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -5.550
tors. eta vs tors. theta energy: -16.747
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: 2
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -207.241054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.241054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.241054 (E_RNA)
where:
Base-Base interactions energy: -131.034
where: short stacking energy: -57.670
Base-Backbone interact. energy: -0.023
local terms energy: -76.184325
where:
bonds (distance) C4'-P energy: -18.830
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -13.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -193.135089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.135089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.135089 (E_RNA)
where:
Base-Base interactions energy: -125.872
where: short stacking energy: -63.431
Base-Backbone interact. energy: -0.062
local terms energy: -67.201779
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -12.904
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: -15.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -162.167762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.167762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.167762 (E_RNA)
where:
Base-Base interactions energy: -90.779
where: short stacking energy: -40.915
Base-Backbone interact. energy: -0.557
local terms energy: -70.831338
where:
bonds (distance) C4'-P energy: -17.334
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -14.809
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: 7, replica: 1
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -143.616930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.616930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.616930 (E_RNA)
where:
Base-Base interactions energy: -80.341
where: short stacking energy: -41.361
Base-Backbone interact. energy: -1.057
local terms energy: -62.219543
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -18.144
flat angles C4'-P-C4' energy: -10.182
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -9.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -166.198163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.198163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.198163 (E_RNA)
where:
Base-Base interactions energy: -103.094
where: short stacking energy: -50.992
Base-Backbone interact. energy: -0.170
local terms energy: -62.934614
where:
bonds (distance) C4'-P energy: -9.098
bonds (distance) P-C4' energy: -14.040
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -13.008
tors. eta vs tors. theta energy: -9.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -90.722668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.722668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.722668 (E_RNA)
where:
Base-Base interactions energy: -34.598
where: short stacking energy: -34.598
Base-Backbone interact. energy: -0.004
local terms energy: -56.121266
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -10.613
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -11.105
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: 10, replica: 7
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -79.032567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.032567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.032567 (E_RNA)
where:
Base-Base interactions energy: -26.383
where: short stacking energy: -26.383
Base-Backbone interact. energy: -1.060
local terms energy: -51.589908
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -8.603
flat angles P-C4'-P energy: -10.133
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: 1, replica: 6
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -238.817960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.817960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.817960 (E_RNA)
where:
Base-Base interactions energy: -153.716
where: short stacking energy: -76.094
Base-Backbone interact. energy: -0.557
local terms energy: -84.544611
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -17.861
flat angles C4'-P-C4' energy: -20.339
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -19.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -216.091462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.091462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.091462 (E_RNA)
where:
Base-Base interactions energy: -140.510
where: short stacking energy: -74.918
Base-Backbone interact. energy: -0.187
local terms energy: -75.393799
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -13.295
tors. eta vs tors. theta energy: -17.329
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: 2
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -213.984468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.984468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.984468 (E_RNA)
where:
Base-Base interactions energy: -130.080
where: short stacking energy: -72.083
Base-Backbone interact. energy: -0.031
local terms energy: -83.872992
where:
bonds (distance) C4'-P energy: -18.142
bonds (distance) P-C4' energy: -15.235
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -12.427
tors. eta vs tors. theta energy: -21.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -209.838521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.838521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.838521 (E_RNA)
where:
Base-Base interactions energy: -130.477
where: short stacking energy: -65.452
Base-Backbone interact. energy: -0.015
local terms energy: -79.347130
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -18.971
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -20.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -180.773264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.773264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.773264 (E_RNA)
where:
Base-Base interactions energy: -114.721
where: short stacking energy: -53.659
Base-Backbone interact. energy: -0.014
local terms energy: -66.038228
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -10.952
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: 6, replica: 3
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -178.055634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.055634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.055634 (E_RNA)
where:
Base-Base interactions energy: -104.176
where: short stacking energy: -57.060
Base-Backbone interact. energy: -0.079
local terms energy: -73.799952
where:
bonds (distance) C4'-P energy: -11.198
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -9.686
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: 7, replica: 9
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -174.031254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.031254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.031254 (E_RNA)
where:
Base-Base interactions energy: -111.660
where: short stacking energy: -55.076
Base-Backbone interact. energy: 0.835
local terms energy: -63.205956
where:
bonds (distance) C4'-P energy: -17.559
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -5.261
tors. eta vs tors. theta energy: -12.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -138.807162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.807162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.807162 (E_RNA)
where:
Base-Base interactions energy: -76.077
where: short stacking energy: -43.454
Base-Backbone interact. energy: -0.371
local terms energy: -62.359675
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -5.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -85.176302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.176302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.176302 (E_RNA)
where:
Base-Base interactions energy: -33.054
where: short stacking energy: -28.344
Base-Backbone interact. energy: -0.559
local terms energy: -51.562801
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -17.769
flat angles C4'-P-C4' energy: -10.601
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -0.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -81.559531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.559531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.559531 (E_RNA)
where:
Base-Base interactions energy: -32.040
where: short stacking energy: -25.525
Base-Backbone interact. energy: -0.334
local terms energy: -49.185688
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -8.909
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: 0.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -243.432005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.432005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.432005 (E_RNA)
where:
Base-Base interactions energy: -157.855
where: short stacking energy: -80.615
Base-Backbone interact. energy: -0.702
local terms energy: -84.875201
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -17.826
flat angles C4'-P-C4' energy: -17.554
flat angles P-C4'-P energy: -10.948
tors. eta vs tors. theta energy: -21.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -219.862832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.862832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.862832 (E_RNA)
where:
Base-Base interactions energy: -136.490
where: short stacking energy: -74.951
Base-Backbone interact. energy: -0.642
local terms energy: -82.730337
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -17.508
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -15.542
tors. eta vs tors. theta energy: -18.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -212.783010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.783010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.783010 (E_RNA)
where:
Base-Base interactions energy: -135.403
where: short stacking energy: -64.699
Base-Backbone interact. energy: -0.082
local terms energy: -77.297741
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -18.001
flat angles C4'-P-C4' energy: -18.440
flat angles P-C4'-P energy: -7.767
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: 5
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -205.519869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.519869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.519869 (E_RNA)
where:
Base-Base interactions energy: -132.489
where: short stacking energy: -70.692
Base-Backbone interact. energy: -0.079
local terms energy: -72.951466
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -10.311
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -14.156
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: 10
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -200.481660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.481660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.481660 (E_RNA)
where:
Base-Base interactions energy: -116.995
where: short stacking energy: -61.785
Base-Backbone interact. energy: -0.021
local terms energy: -83.465707
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -19.645
flat angles P-C4'-P energy: -12.388
tors. eta vs tors. theta energy: -16.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -195.437680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.437680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.437680 (E_RNA)
where:
Base-Base interactions energy: -122.214
where: short stacking energy: -58.209
Base-Backbone interact. energy: -0.077
local terms energy: -73.146761
where:
bonds (distance) C4'-P energy: -15.070
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -18.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -184.823463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.823463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.823463 (E_RNA)
where:
Base-Base interactions energy: -115.204
where: short stacking energy: -51.985
Base-Backbone interact. energy: -0.029
local terms energy: -69.590624
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -17.472
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: -12.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -147.350404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.350404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.350404 (E_RNA)
where:
Base-Base interactions energy: -76.228
where: short stacking energy: -39.533
Base-Backbone interact. energy: -0.048
local terms energy: -71.074093
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -14.711
tors. eta vs tors. theta energy: -9.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -96.069858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.069858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.069858 (E_RNA)
where:
Base-Base interactions energy: -48.397
where: short stacking energy: -35.073
Base-Backbone interact. energy: -0.374
local terms energy: -47.299392
where:
bonds (distance) C4'-P energy: -8.095
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -9.669
flat angles P-C4'-P energy: -6.332
tors. eta vs tors. theta energy: -7.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -83.418132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.418132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.418132 (E_RNA)
where:
Base-Base interactions energy: -35.591
where: short stacking energy: -32.667
Base-Backbone interact. energy: -0.146
local terms energy: -47.681204
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: 0.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -241.205065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.205065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.205065 (E_RNA)
where:
Base-Base interactions energy: -156.100
where: short stacking energy: -77.288
Base-Backbone interact. energy: -0.597
local terms energy: -84.507770
where:
bonds (distance) C4'-P energy: -18.980
bonds (distance) P-C4' energy: -18.321
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -19.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -218.213243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.213243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.213243 (E_RNA)
where:
Base-Base interactions energy: -139.332
where: short stacking energy: -74.683
Base-Backbone interact. energy: -0.192
local terms energy: -78.689598
where:
bonds (distance) C4'-P energy: -16.959
bonds (distance) P-C4' energy: -14.570
flat angles C4'-P-C4' energy: -18.523
flat angles P-C4'-P energy: -13.242
tors. eta vs tors. theta energy: -15.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -220.047046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.047046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.047046 (E_RNA)
where:
Base-Base interactions energy: -145.932
where: short stacking energy: -79.353
Base-Backbone interact. energy: -0.067
local terms energy: -74.048408
where:
bonds (distance) C4'-P energy: -11.003
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -20.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -214.508018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.508018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.508018 (E_RNA)
where:
Base-Base interactions energy: -135.294
where: short stacking energy: -70.123
Base-Backbone interact. energy: -0.052
local terms energy: -79.162558
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -17.003
flat angles C4'-P-C4' energy: -17.716
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -19.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -202.474480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.474480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.474480 (E_RNA)
where:
Base-Base interactions energy: -129.444
where: short stacking energy: -70.619
Base-Backbone interact. energy: -0.019
local terms energy: -73.012201
where:
bonds (distance) C4'-P energy: -17.332
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -7.157
tors. eta vs tors. theta energy: -19.689
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: 6, replica: 9
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -188.602622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.602622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.602622 (E_RNA)
where:
Base-Base interactions energy: -122.148
where: short stacking energy: -66.401
Base-Backbone interact. energy: -0.212
local terms energy: -66.242836
where:
bonds (distance) C4'-P energy: -16.944
bonds (distance) P-C4' energy: -13.601
flat angles C4'-P-C4' energy: -20.327
flat angles P-C4'-P energy: -2.984
tors. eta vs tors. theta energy: -12.386
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: 3
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -182.983068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.983068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.983068 (E_RNA)
where:
Base-Base interactions energy: -113.626
where: short stacking energy: -53.949
Base-Backbone interact. energy: 3.006
local terms energy: -72.363365
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -20.021
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -12.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -136.836389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.836389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.836389 (E_RNA)
where:
Base-Base interactions energy: -78.611
where: short stacking energy: -44.087
Base-Backbone interact. energy: 1.744
local terms energy: -59.968847
where:
bonds (distance) C4'-P energy: -11.284
bonds (distance) P-C4' energy: -18.774
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -4.811
tors. eta vs tors. theta energy: -9.824
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: 7
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -94.749322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.749322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.749322 (E_RNA)
where:
Base-Base interactions energy: -37.260
where: short stacking energy: -37.260
Base-Backbone interact. energy: -0.008
local terms energy: -57.481925
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -9.456
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -6.181
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: 4
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -87.731863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.731863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.731863 (E_RNA)
where:
Base-Base interactions energy: -30.768
where: short stacking energy: -29.150
Base-Backbone interact. energy: -0.115
local terms energy: -56.847999
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -2.211
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: 6
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -239.901828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.901828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.901828 (E_RNA)
where:
Base-Base interactions energy: -155.843
where: short stacking energy: -82.372
Base-Backbone interact. energy: 0.588
local terms energy: -84.646910
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -19.300
flat angles P-C4'-P energy: -11.302
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: 2
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -217.562799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.562799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.562799 (E_RNA)
where:
Base-Base interactions energy: -134.299
where: short stacking energy: -66.762
Base-Backbone interact. energy: -0.008
local terms energy: -83.255963
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -17.373
flat angles P-C4'-P energy: -14.303
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: 3, replica: 5
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -201.655375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.655375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.655375 (E_RNA)
where:
Base-Base interactions energy: -120.929
where: short stacking energy: -74.484
Base-Backbone interact. energy: 0.229
local terms energy: -80.955544
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -18.142
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -12.304
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: 4, replica: 8
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -222.759896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.759896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.759896 (E_RNA)
where:
Base-Base interactions energy: -140.694
where: short stacking energy: -69.003
Base-Backbone interact. energy: -0.099
local terms energy: -81.967056
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -22.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -198.788029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.788029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.788029 (E_RNA)
where:
Base-Base interactions energy: -124.658
where: short stacking energy: -68.210
Base-Backbone interact. energy: -0.120
local terms energy: -74.010490
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: -19.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -183.376761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.376761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.376761 (E_RNA)
where:
Base-Base interactions energy: -113.865
where: short stacking energy: -46.038
Base-Backbone interact. energy: -0.149
local terms energy: -69.362293
where:
bonds (distance) C4'-P energy: -17.083
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -10.235
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: 9
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -174.831817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.831817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.831817 (E_RNA)
where:
Base-Base interactions energy: -101.095
where: short stacking energy: -58.483
Base-Backbone interact. energy: 0.352
local terms energy: -74.088223
where:
bonds (distance) C4'-P energy: -12.788
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -13.662
tors. eta vs tors. theta energy: -15.977
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: 7
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -96.872298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.872298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.872298 (E_RNA)
where:
Base-Base interactions energy: -34.131
where: short stacking energy: -34.131
Base-Backbone interact. energy: -0.085
local terms energy: -62.655680
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -5.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -129.845830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.845830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.845830 (E_RNA)
where:
Base-Base interactions energy: -73.070
where: short stacking energy: -39.904
Base-Backbone interact. energy: -0.446
local terms energy: -56.329557
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -7.980
tors. eta vs tors. theta energy: -4.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -90.462981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.462981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.462981 (E_RNA)
where:
Base-Base interactions energy: -27.059
where: short stacking energy: -26.296
Base-Backbone interact. energy: -0.653
local terms energy: -62.751363
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -17.338
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -13.654
tors. eta vs tors. theta energy: -3.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -231.632865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.632865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.632865 (E_RNA)
where:
Base-Base interactions energy: -153.370
where: short stacking energy: -69.063
Base-Backbone interact. energy: -0.673
local terms energy: -77.589738
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -14.193
tors. eta vs tors. theta energy: -17.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -239.444107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.444107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.444107 (E_RNA)
where:
Base-Base interactions energy: -151.452
where: short stacking energy: -78.294
Base-Backbone interact. energy: -0.690
local terms energy: -87.301764
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -18.348
flat angles C4'-P-C4' energy: -17.799
flat angles P-C4'-P energy: -12.792
tors. eta vs tors. theta energy: -24.832
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: 3, replica: 5
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -205.174931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.174931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.174931 (E_RNA)
where:
Base-Base interactions energy: -121.408
where: short stacking energy: -69.478
Base-Backbone interact. energy: -0.119
local terms energy: -83.647393
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -16.080
flat angles C4'-P-C4' energy: -18.367
flat angles P-C4'-P energy: -15.325
tors. eta vs tors. theta energy: -18.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -191.978034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.978034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.978034 (E_RNA)
where:
Base-Base interactions energy: -118.583
where: short stacking energy: -54.882
Base-Backbone interact. energy: -0.123
local terms energy: -73.271423
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -17.419
flat angles P-C4'-P energy: -7.545
tors. eta vs tors. theta energy: -18.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -209.564739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.564739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.564739 (E_RNA)
where:
Base-Base interactions energy: -134.703
where: short stacking energy: -66.835
Base-Backbone interact. energy: -0.178
local terms energy: -74.684049
where:
bonds (distance) C4'-P energy: -10.341
bonds (distance) P-C4' energy: -19.517
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -14.137
tors. eta vs tors. theta energy: -14.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -171.465937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.465937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.465937 (E_RNA)
where:
Base-Base interactions energy: -101.579
where: short stacking energy: -47.608
Base-Backbone interact. energy: -0.403
local terms energy: -69.484173
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -7.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -137.729045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.729045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.729045 (E_RNA)
where:
Base-Base interactions energy: -81.175
where: short stacking energy: -40.634
Base-Backbone interact. energy: 0.533
local terms energy: -57.087644
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: -6.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -153.421325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.421325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.421325 (E_RNA)
where:
Base-Base interactions energy: -90.910
where: short stacking energy: -42.828
Base-Backbone interact. energy: -0.057
local terms energy: -62.453783
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -6.961
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: 9, replica: 1
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -165.785063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.785063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.785063 (E_RNA)
where:
Base-Base interactions energy: -94.868
where: short stacking energy: -49.986
Base-Backbone interact. energy: -0.194
local terms energy: -70.723687
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -20.187
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -10.375
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: 4
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -94.512134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.512134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.512134 (E_RNA)
where:
Base-Base interactions energy: -35.075
where: short stacking energy: -35.075
Base-Backbone interact. energy: 3.661
local terms energy: -63.098306
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -18.851
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -8.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -226.821164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.821164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.821164 (E_RNA)
where:
Base-Base interactions energy: -141.890
where: short stacking energy: -65.849
Base-Backbone interact. energy: -0.743
local terms energy: -84.188095
where:
bonds (distance) C4'-P energy: -18.314
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -13.312
tors. eta vs tors. theta energy: -19.617
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: 2, replica: 6
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -233.816246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.816246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.816246 (E_RNA)
where:
Base-Base interactions energy: -147.575
where: short stacking energy: -79.018
Base-Backbone interact. energy: -0.568
local terms energy: -85.673921
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -20.187
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: -23.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -201.085739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.085739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.085739 (E_RNA)
where:
Base-Base interactions energy: -119.520
where: short stacking energy: -63.105
Base-Backbone interact. energy: -0.151
local terms energy: -81.414920
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -19.951
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -13.232
tors. eta vs tors. theta energy: -16.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -207.678308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.678308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.678308 (E_RNA)
where:
Base-Base interactions energy: -134.629
where: short stacking energy: -64.437
Base-Backbone interact. energy: -0.632
local terms energy: -72.417109
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -4.754
tors. eta vs tors. theta energy: -14.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -187.804808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.804808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.804808 (E_RNA)
where:
Base-Base interactions energy: -119.849
where: short stacking energy: -55.929
Base-Backbone interact. energy: -0.169
local terms energy: -67.786961
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -7.571
tors. eta vs tors. theta energy: -13.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -159.707973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.707973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.707973 (E_RNA)
where:
Base-Base interactions energy: -86.215
where: short stacking energy: -48.881
Base-Backbone interact. energy: -0.220
local terms energy: -73.273464
where:
bonds (distance) C4'-P energy: -14.585
bonds (distance) P-C4' energy: -16.746
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -11.102
tors. eta vs tors. theta energy: -14.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -175.938243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.938243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.938243 (E_RNA)
where:
Base-Base interactions energy: -112.854
where: short stacking energy: -49.120
Base-Backbone interact. energy: -0.314
local terms energy: -62.770621
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -16.130
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -10.359
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: 1
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -94.741511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.741511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.741511 (E_RNA)
where:
Base-Base interactions energy: -39.626
where: short stacking energy: -39.314
Base-Backbone interact. energy: -0.286
local terms energy: -54.829747
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -10.486
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -8.752
tors. eta vs tors. theta energy: -7.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -140.651403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.651403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.651403 (E_RNA)
where:
Base-Base interactions energy: -87.864
where: short stacking energy: -39.533
Base-Backbone interact. energy: 0.565
local terms energy: -53.352240
where:
bonds (distance) C4'-P energy: -15.789
bonds (distance) P-C4' energy: -10.785
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -3.128
tors. eta vs tors. theta energy: -8.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -98.428332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.428332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.428332 (E_RNA)
where:
Base-Base interactions energy: -39.950
where: short stacking energy: -38.790
Base-Backbone interact. energy: -0.114
local terms energy: -58.364714
where:
bonds (distance) C4'-P energy: -11.649
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -7.096
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: 6
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -259.173643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.173643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.173643 (E_RNA)
where:
Base-Base interactions energy: -168.305
where: short stacking energy: -82.171
Base-Backbone interact. energy: -0.523
local terms energy: -90.345587
where:
bonds (distance) C4'-P energy: -18.509
bonds (distance) P-C4' energy: -18.046
flat angles C4'-P-C4' energy: -18.486
flat angles P-C4'-P energy: -13.938
tors. eta vs tors. theta energy: -21.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -227.918337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.918337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.918337 (E_RNA)
where:
Base-Base interactions energy: -141.671
where: short stacking energy: -67.438
Base-Backbone interact. energy: -0.127
local terms energy: -86.119999
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -19.080
flat angles C4'-P-C4' energy: -18.998
flat angles P-C4'-P energy: -13.103
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: 3, replica: 10
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -221.287488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.287488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.287488 (E_RNA)
where:
Base-Base interactions energy: -143.774
where: short stacking energy: -70.206
Base-Backbone interact. energy: -0.105
local terms energy: -77.408892
where:
bonds (distance) C4'-P energy: -17.169
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -18.337
flat angles P-C4'-P energy: -6.358
tors. eta vs tors. theta energy: -21.367
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: 5
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -199.354367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.354367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.354367 (E_RNA)
where:
Base-Base interactions energy: -117.121
where: short stacking energy: -55.102
Base-Backbone interact. energy: -0.539
local terms energy: -81.694479
where:
bonds (distance) C4'-P energy: -18.727
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -16.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -169.299211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.299211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.299211 (E_RNA)
where:
Base-Base interactions energy: -96.521
where: short stacking energy: -56.397
Base-Backbone interact. energy: -0.258
local terms energy: -72.520213
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -14.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -193.630267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.630267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.630267 (E_RNA)
where:
Base-Base interactions energy: -121.152
where: short stacking energy: -61.160
Base-Backbone interact. energy: -0.163
local terms energy: -72.315285
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -16.151
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -15.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -137.195884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.195884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.195884 (E_RNA)
where:
Base-Base interactions energy: -78.867
where: short stacking energy: -35.783
Base-Backbone interact. energy: 1.945
local terms energy: -60.273980
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -19.591
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: -4.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -97.622644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.622644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.622644 (E_RNA)
where:
Base-Base interactions energy: -36.186
where: short stacking energy: -35.350
Base-Backbone interact. energy: -0.757
local terms energy: -60.679800
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -2.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -140.994855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.994855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.994855 (E_RNA)
where:
Base-Base interactions energy: -84.401
where: short stacking energy: -41.647
Base-Backbone interact. energy: -0.561
local terms energy: -56.032776
where:
bonds (distance) C4'-P energy: -11.090
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -6.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -88.911968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.911968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.911968 (E_RNA)
where:
Base-Base interactions energy: -32.856
where: short stacking energy: -32.856
Base-Backbone interact. energy: 1.782
local terms energy: -57.837708
where:
bonds (distance) C4'-P energy: -20.097
bonds (distance) P-C4' energy: -10.925
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -6.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -243.230082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.230082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.230082 (E_RNA)
where:
Base-Base interactions energy: -157.081
where: short stacking energy: -82.268
Base-Backbone interact. energy: -0.145
local terms energy: -86.004152
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -21.314
flat angles P-C4'-P energy: -11.468
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: 2, replica: 2
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -214.464652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.464652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.464652 (E_RNA)
where:
Base-Base interactions energy: -128.392
where: short stacking energy: -75.387
Base-Backbone interact. energy: -0.554
local terms energy: -85.518087
where:
bonds (distance) C4'-P energy: -17.378
bonds (distance) P-C4' energy: -19.852
flat angles C4'-P-C4' energy: -19.147
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -19.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -217.661467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.661467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.661467 (E_RNA)
where:
Base-Base interactions energy: -137.647
where: short stacking energy: -61.103
Base-Backbone interact. energy: -0.107
local terms energy: -79.907489
where:
bonds (distance) C4'-P energy: -19.824
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -18.567
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -12.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -199.508153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.508153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.508153 (E_RNA)
where:
Base-Base interactions energy: -123.303
where: short stacking energy: -63.494
Base-Backbone interact. energy: -0.135
local terms energy: -76.070799
where:
bonds (distance) C4'-P energy: -17.267
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -18.712
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -14.325
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: 7
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -166.032222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.032222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.032222 (E_RNA)
where:
Base-Base interactions energy: -98.231
where: short stacking energy: -57.406
Base-Backbone interact. energy: 0.211
local terms energy: -68.011707
where:
bonds (distance) C4'-P energy: -15.988
bonds (distance) P-C4' energy: -13.019
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -13.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -190.105987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.105987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.105987 (E_RNA)
where:
Base-Base interactions energy: -112.480
where: short stacking energy: -60.327
Base-Backbone interact. energy: -0.115
local terms energy: -77.510841
where:
bonds (distance) C4'-P energy: -16.934
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -19.261
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -16.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -117.909354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.909354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.909354 (E_RNA)
where:
Base-Base interactions energy: -58.019
where: short stacking energy: -34.661
Base-Backbone interact. energy: 0.845
local terms energy: -60.735109
where:
bonds (distance) C4'-P energy: -11.657
bonds (distance) P-C4' energy: -13.978
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -13.242
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: 9
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -141.765272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.765272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.765272 (E_RNA)
where:
Base-Base interactions energy: -88.680
where: short stacking energy: -37.717
Base-Backbone interact. energy: -0.252
local terms energy: -52.832852
where:
bonds (distance) C4'-P energy: -18.259
bonds (distance) P-C4' energy: -12.315
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -6.082
tors. eta vs tors. theta energy: -0.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -98.115952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.115952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.115952 (E_RNA)
where:
Base-Base interactions energy: -36.795
where: short stacking energy: -23.482
Base-Backbone interact. energy: -0.991
local terms energy: -60.330314
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -20.190
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -3.212
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: 4
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -80.963272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.963272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.963272 (E_RNA)
where:
Base-Base interactions energy: -21.433
where: short stacking energy: -21.433
Base-Backbone interact. energy: -0.088
local terms energy: -59.442348
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -20.398
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: 2.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -235.167427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.167427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.167427 (E_RNA)
where:
Base-Base interactions energy: -149.169
where: short stacking energy: -75.721
Base-Backbone interact. energy: 1.240
local terms energy: -87.239016
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -21.747
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -18.051
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: 6
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -231.285911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.285911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.285911 (E_RNA)
where:
Base-Base interactions energy: -145.285
where: short stacking energy: -63.792
Base-Backbone interact. energy: -1.061
local terms energy: -84.939053
where:
bonds (distance) C4'-P energy: -19.866
bonds (distance) P-C4' energy: -18.083
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -12.129
tors. eta vs tors. theta energy: -18.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -227.246396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.246396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.246396 (E_RNA)
where:
Base-Base interactions energy: -143.816
where: short stacking energy: -71.447
Base-Backbone interact. energy: -0.068
local terms energy: -83.362244
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -17.299
flat angles C4'-P-C4' energy: -18.702
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -19.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -196.036309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.036309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.036309 (E_RNA)
where:
Base-Base interactions energy: -119.631
where: short stacking energy: -64.080
Base-Backbone interact. energy: -0.100
local terms energy: -76.305331
where:
bonds (distance) C4'-P energy: -17.247
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -18.562
flat angles P-C4'-P energy: -9.919
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: 5, replica: 8
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -212.574752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.574752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.574752 (E_RNA)
where:
Base-Base interactions energy: -135.997
where: short stacking energy: -62.899
Base-Backbone interact. energy: -0.578
local terms energy: -75.999217
where:
bonds (distance) C4'-P energy: -17.577
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: -15.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -178.745589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.745589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.745589 (E_RNA)
where:
Base-Base interactions energy: -107.880
where: short stacking energy: -58.163
Base-Backbone interact. energy: -0.030
local terms energy: -70.835363
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -16.929
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -16.644
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: 7, replica: 9
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -166.843823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.843823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.843823 (E_RNA)
where:
Base-Base interactions energy: -97.681
where: short stacking energy: -48.851
Base-Backbone interact. energy: -0.008
local terms energy: -69.154501
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -18.552
flat angles C4'-P-C4' energy: -17.854
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -12.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -96.608190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.608190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.608190 (E_RNA)
where:
Base-Base interactions energy: -40.819
where: short stacking energy: -40.819
Base-Backbone interact. energy: -0.175
local terms energy: -55.613808
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -8.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -85.002589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.002589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.002589 (E_RNA)
where:
Base-Base interactions energy: -26.673
where: short stacking energy: -20.822
Base-Backbone interact. energy: -0.059
local terms energy: -58.270803
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -0.433
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: 1
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -82.812391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.812391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.812391 (E_RNA)
where:
Base-Base interactions energy: -37.663
where: short stacking energy: -37.622
Base-Backbone interact. energy: -0.226
local terms energy: -44.923550
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -14.717
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -4.590
tors. eta vs tors. theta energy: -1.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -226.886147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.886147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.886147 (E_RNA)
where:
Base-Base interactions energy: -138.203
where: short stacking energy: -72.984
Base-Backbone interact. energy: -0.106
local terms energy: -88.576878
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -20.365
flat angles C4'-P-C4' energy: -18.209
flat angles P-C4'-P energy: -12.892
tors. eta vs tors. theta energy: -19.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -238.342084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.342084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.342084 (E_RNA)
where:
Base-Base interactions energy: -153.752
where: short stacking energy: -68.612
Base-Backbone interact. energy: -0.081
local terms energy: -84.509436
where:
bonds (distance) C4'-P energy: -19.224
bonds (distance) P-C4' energy: -17.800
flat angles C4'-P-C4' energy: -20.738
flat angles P-C4'-P energy: -7.395
tors. eta vs tors. theta energy: -19.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -234.378694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.378694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.378694 (E_RNA)
where:
Base-Base interactions energy: -158.705
where: short stacking energy: -75.030
Base-Backbone interact. energy: -0.251
local terms energy: -75.422572
where:
bonds (distance) C4'-P energy: -18.480
bonds (distance) P-C4' energy: -11.775
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: -20.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -194.664571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.664571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.664571 (E_RNA)
where:
Base-Base interactions energy: -118.413
where: short stacking energy: -62.739
Base-Backbone interact. energy: -0.075
local terms energy: -76.176273
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -19.126
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -17.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -173.011224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.011224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.011224 (E_RNA)
where:
Base-Base interactions energy: -104.811
where: short stacking energy: -43.963
Base-Backbone interact. energy: 0.258
local terms energy: -68.458824
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -18.179
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -10.612
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: 9
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -177.493264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.493264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.493264 (E_RNA)
where:
Base-Base interactions energy: -104.112
where: short stacking energy: -63.133
Base-Backbone interact. energy: -0.002
local terms energy: -73.379041
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -15.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -151.765302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.765302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.765302 (E_RNA)
where:
Base-Base interactions energy: -91.768
where: short stacking energy: -52.196
Base-Backbone interact. energy: -0.643
local terms energy: -59.354358
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -10.931
flat angles P-C4'-P energy: -5.500
tors. eta vs tors. theta energy: -13.768
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: 3
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -95.370397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.370397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.370397 (E_RNA)
where:
Base-Base interactions energy: -33.850
where: short stacking energy: -30.662
Base-Backbone interact. energy: -0.252
local terms energy: -61.268051
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -17.199
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -5.427
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: 4
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -89.437886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.437886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.437886 (E_RNA)
where:
Base-Base interactions energy: -38.234
where: short stacking energy: -22.886
Base-Backbone interact. energy: -0.122
local terms energy: -51.082301
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -6.337
tors. eta vs tors. theta energy: -0.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -75.045547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.045547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.045547 (E_RNA)
where:
Base-Base interactions energy: -19.835
where: short stacking energy: -19.835
Base-Backbone interact. energy: -0.096
local terms energy: -55.114378
where:
bonds (distance) C4'-P energy: -20.313
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -5.707
tors. eta vs tors. theta energy: 1.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -244.957442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.957442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.957442 (E_RNA)
where:
Base-Base interactions energy: -161.040
where: short stacking energy: -76.743
Base-Backbone interact. energy: 0.056
local terms energy: -83.973689
where:
bonds (distance) C4'-P energy: -16.948
bonds (distance) P-C4' energy: -16.981
flat angles C4'-P-C4' energy: -17.807
flat angles P-C4'-P energy: -13.780
tors. eta vs tors. theta energy: -18.458
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: 2, replica: 2
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -224.496162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.496162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.496162 (E_RNA)
where:
Base-Base interactions energy: -137.653
where: short stacking energy: -75.985
Base-Backbone interact. energy: 0.598
local terms energy: -87.441103
where:
bonds (distance) C4'-P energy: -16.786
bonds (distance) P-C4' energy: -19.576
flat angles C4'-P-C4' energy: -17.456
flat angles P-C4'-P energy: -13.308
tors. eta vs tors. theta energy: -20.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -238.805158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.805158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.805158 (E_RNA)
where:
Base-Base interactions energy: -151.512
where: short stacking energy: -73.963
Base-Backbone interact. energy: -0.651
local terms energy: -86.642413
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -12.717
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: 4, replica: 8
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -210.271548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.271548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.271548 (E_RNA)
where:
Base-Base interactions energy: -125.734
where: short stacking energy: -67.349
Base-Backbone interact. energy: -0.028
local terms energy: -84.510075
where:
bonds (distance) C4'-P energy: -17.055
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -20.055
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -19.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -180.970101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.970101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.970101 (E_RNA)
where:
Base-Base interactions energy: -105.416
where: short stacking energy: -61.542
Base-Backbone interact. energy: -0.020
local terms energy: -75.534125
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -17.535
flat angles P-C4'-P energy: -11.532
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: 5
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -180.108006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.108006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.108006 (E_RNA)
where:
Base-Base interactions energy: -117.796
where: short stacking energy: -61.209
Base-Backbone interact. energy: 1.274
local terms energy: -63.586010
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -17.567
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -13.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -108.612774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.612774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.612774 (E_RNA)
where:
Base-Base interactions energy: -43.673
where: short stacking energy: -43.673
Base-Backbone interact. energy: -0.122
local terms energy: -64.817727
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -19.635
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -7.650
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: 3
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -106.149116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.149116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.149116 (E_RNA)
where:
Base-Base interactions energy: -46.887
where: short stacking energy: -29.634
Base-Backbone interact. energy: -0.063
local terms energy: -59.198561
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -5.818
tors. eta vs tors. theta energy: -7.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -104.730605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.730605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.730605 (E_RNA)
where:
Base-Base interactions energy: -41.467
where: short stacking energy: -30.757
Base-Backbone interact. energy: 0.113
local terms energy: -63.376730
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -17.708
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -2.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -89.748350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.748350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.748350 (E_RNA)
where:
Base-Base interactions energy: -37.665
where: short stacking energy: -25.051
Base-Backbone interact. energy: -0.143
local terms energy: -51.940427
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: 1.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -241.282121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.282121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.282121 (E_RNA)
where:
Base-Base interactions energy: -159.268
where: short stacking energy: -81.014
Base-Backbone interact. energy: 0.974
local terms energy: -82.988019
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -17.670
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -16.209
tors. eta vs tors. theta energy: -16.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -236.316309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.316309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.316309 (E_RNA)
where:
Base-Base interactions energy: -159.555
where: short stacking energy: -59.669
Base-Backbone interact. energy: -0.412
local terms energy: -76.349605
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -20.233
flat angles C4'-P-C4' energy: -18.888
flat angles P-C4'-P energy: -6.134
tors. eta vs tors. theta energy: -18.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -222.367299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.367299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.367299 (E_RNA)
where:
Base-Base interactions energy: -137.527
where: short stacking energy: -78.371
Base-Backbone interact. energy: -0.004
local terms energy: -84.835685
where:
bonds (distance) C4'-P energy: -12.599
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -18.566
flat angles P-C4'-P energy: -13.720
tors. eta vs tors. theta energy: -23.474
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: 8
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -204.779425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.779425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.779425 (E_RNA)
where:
Base-Base interactions energy: -123.796
where: short stacking energy: -57.867
Base-Backbone interact. energy: -0.214
local terms energy: -80.769069
where:
bonds (distance) C4'-P energy: -19.098
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -19.400
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -16.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -190.506825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.506825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.506825 (E_RNA)
where:
Base-Base interactions energy: -120.558
where: short stacking energy: -61.940
Base-Backbone interact. energy: 0.294
local terms energy: -70.243629
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -14.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -179.633226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.633226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.633226 (E_RNA)
where:
Base-Base interactions energy: -112.437
where: short stacking energy: -63.868
Base-Backbone interact. energy: -0.156
local terms energy: -67.039915
where:
bonds (distance) C4'-P energy: -16.892
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -5.865
tors. eta vs tors. theta energy: -13.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -97.661238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.661238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.661238 (E_RNA)
where:
Base-Base interactions energy: -40.660
where: short stacking energy: -40.660
Base-Backbone interact. energy: -0.067
local terms energy: -56.933836
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -10.658
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: -5.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -99.416660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.416660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.416660 (E_RNA)
where:
Base-Base interactions energy: -37.120
where: short stacking energy: -28.545
Base-Backbone interact. energy: -1.646
local terms energy: -60.650904
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -14.608
flat angles C4'-P-C4' energy: -18.482
flat angles P-C4'-P energy: -7.005
tors. eta vs tors. theta energy: -4.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -102.303792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.303792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.303792 (E_RNA)
where:
Base-Base interactions energy: -40.456
where: short stacking energy: -34.454
Base-Backbone interact. energy: -0.231
local terms energy: -61.616539
where:
bonds (distance) C4'-P energy: -11.741
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -4.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -92.941345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.941345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.941345 (E_RNA)
where:
Base-Base interactions energy: -35.319
where: short stacking energy: -31.115
Base-Backbone interact. energy: -0.231
local terms energy: -57.390414
where:
bonds (distance) C4'-P energy: -12.775
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -1.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -243.359566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.359566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.359566 (E_RNA)
where:
Base-Base interactions energy: -157.210
where: short stacking energy: -77.159
Base-Backbone interact. energy: -0.239
local terms energy: -85.910582
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -19.961
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -18.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -236.768676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.768676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.768676 (E_RNA)
where:
Base-Base interactions energy: -158.000
where: short stacking energy: -77.790
Base-Backbone interact. energy: -0.105
local terms energy: -78.662994
where:
bonds (distance) C4'-P energy: -10.735
bonds (distance) P-C4' energy: -18.932
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -21.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -218.565312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.565312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.565312 (E_RNA)
where:
Base-Base interactions energy: -134.332
where: short stacking energy: -60.725
Base-Backbone interact. energy: -0.111
local terms energy: -84.122234
where:
bonds (distance) C4'-P energy: -19.096
bonds (distance) P-C4' energy: -15.549
flat angles C4'-P-C4' energy: -18.595
flat angles P-C4'-P energy: -14.121
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: 4, replica: 8
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -212.681193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.681193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.681193 (E_RNA)
where:
Base-Base interactions energy: -137.151
where: short stacking energy: -70.330
Base-Backbone interact. energy: -0.105
local terms energy: -75.425118
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -17.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -202.959774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.959774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.959774 (E_RNA)
where:
Base-Base interactions energy: -124.010
where: short stacking energy: -61.838
Base-Backbone interact. energy: -0.175
local terms energy: -78.774872
where:
bonds (distance) C4'-P energy: -18.322
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -5.526
tors. eta vs tors. theta energy: -19.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -186.105960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.105960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.105960 (E_RNA)
where:
Base-Base interactions energy: -118.088
where: short stacking energy: -54.406
Base-Backbone interact. energy: -0.471
local terms energy: -67.546506
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -17.641
flat angles C4'-P-C4' energy: -10.371
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -15.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -101.190522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.190522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.190522 (E_RNA)
where:
Base-Base interactions energy: -40.119
where: short stacking energy: -40.119
Base-Backbone interact. energy: -0.745
local terms energy: -60.326988
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -2.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -106.304319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.304319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.304319 (E_RNA)
where:
Base-Base interactions energy: -45.165
where: short stacking energy: -32.998
Base-Backbone interact. energy: -0.017
local terms energy: -61.121429
where:
bonds (distance) C4'-P energy: -17.702
bonds (distance) P-C4' energy: -18.047
flat angles C4'-P-C4' energy: -12.732
flat angles P-C4'-P energy: -6.303
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: 394
Temperature: 1.300000
Total energy: -95.139148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.139148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.139148 (E_RNA)
where:
Base-Base interactions energy: -40.533
where: short stacking energy: -30.890
Base-Backbone interact. energy: 1.445
local terms energy: -56.051368
where:
bonds (distance) C4'-P energy: -18.776
bonds (distance) P-C4' energy: -12.894
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -6.513
tors. eta vs tors. theta energy: -3.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -116.721367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.721367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.721367 (E_RNA)
where:
Base-Base interactions energy: -64.146
where: short stacking energy: -33.322
Base-Backbone interact. energy: -0.100
local terms energy: -52.476081
where:
bonds (distance) C4'-P energy: -9.532
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -17.794
flat angles P-C4'-P energy: -5.893
tors. eta vs tors. theta energy: -4.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -241.523708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.523708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.523708 (E_RNA)
where:
Base-Base interactions energy: -156.217
where: short stacking energy: -74.928
Base-Backbone interact. energy: 0.827
local terms energy: -86.134028
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -17.430
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -15.547
tors. eta vs tors. theta energy: -21.901
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: 10
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -227.087671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.087671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.087671 (E_RNA)
where:
Base-Base interactions energy: -150.548
where: short stacking energy: -66.656
Base-Backbone interact. energy: 0.579
local terms energy: -77.119280
where:
bonds (distance) C4'-P energy: -12.627
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -18.107
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -17.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -240.813829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.813829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.813829 (E_RNA)
where:
Base-Base interactions energy: -151.364
where: short stacking energy: -77.165
Base-Backbone interact. energy: -0.106
local terms energy: -89.344206
where:
bonds (distance) C4'-P energy: -18.499
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -21.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -223.707420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.707420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.707420 (E_RNA)
where:
Base-Base interactions energy: -142.339
where: short stacking energy: -69.589
Base-Backbone interact. energy: -0.021
local terms energy: -81.346490
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -17.268
flat angles C4'-P-C4' energy: -17.380
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -21.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -190.544880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.544880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.544880 (E_RNA)
where:
Base-Base interactions energy: -120.505
where: short stacking energy: -62.481
Base-Backbone interact. energy: -0.013
local terms energy: -70.027144
where:
bonds (distance) C4'-P energy: -9.954
bonds (distance) P-C4' energy: -17.515
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -17.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -183.307591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.307591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.307591 (E_RNA)
where:
Base-Base interactions energy: -112.820
where: short stacking energy: -50.132
Base-Backbone interact. energy: 0.174
local terms energy: -70.661730
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -17.168
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -14.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -117.724808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.724808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.724808 (E_RNA)
where:
Base-Base interactions energy: -47.489
where: short stacking energy: -47.489
Base-Backbone interact. energy: -0.258
local terms energy: -69.977454
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -16.031
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -12.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -105.747221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.747221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.747221 (E_RNA)
where:
Base-Base interactions energy: -47.619
where: short stacking energy: -34.571
Base-Backbone interact. energy: -0.260
local terms energy: -57.867329
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -16.931
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -3.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -98.190291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.190291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.190291 (E_RNA)
where:
Base-Base interactions energy: -33.253
where: short stacking energy: -30.317
Base-Backbone interact. energy: -0.123
local terms energy: -64.814716
where:
bonds (distance) C4'-P energy: -11.939
bonds (distance) P-C4' energy: -19.024
flat angles C4'-P-C4' energy: -17.139
flat angles P-C4'-P energy: -9.518
tors. eta vs tors. theta energy: -7.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -112.763297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.763297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.763297 (E_RNA)
where:
Base-Base interactions energy: -59.194
where: short stacking energy: -19.371
Base-Backbone interact. energy: -0.224
local terms energy: -53.345382
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -11.578
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: 2.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -241.524941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.524941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.524941 (E_RNA)
where:
Base-Base interactions energy: -160.068
where: short stacking energy: -79.488
Base-Backbone interact. energy: -0.231
local terms energy: -81.225979
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -17.434
flat angles C4'-P-C4' energy: -17.727
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: -21.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -215.536775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.536775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.536775 (E_RNA)
where:
Base-Base interactions energy: -145.921
where: short stacking energy: -58.822
Base-Backbone interact. energy: -0.513
local terms energy: -69.102669
where:
bonds (distance) C4'-P energy: -19.406
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -10.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -230.856099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.856099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.856099 (E_RNA)
where:
Base-Base interactions energy: -150.905
where: short stacking energy: -84.946
Base-Backbone interact. energy: -0.084
local terms energy: -79.866352
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -14.439
flat angles C4'-P-C4' energy: -19.052
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -20.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -207.412011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.412011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.412011 (E_RNA)
where:
Base-Base interactions energy: -132.258
where: short stacking energy: -65.580
Base-Backbone interact. energy: -0.139
local terms energy: -75.014926
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -12.687
tors. eta vs tors. theta energy: -16.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -204.318187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.318187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.318187 (E_RNA)
where:
Base-Base interactions energy: -129.472
where: short stacking energy: -69.164
Base-Backbone interact. energy: -0.105
local terms energy: -74.741232
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -17.161
flat angles P-C4'-P energy: -13.813
tors. eta vs tors. theta energy: -17.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -172.428893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.428893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.428893 (E_RNA)
where:
Base-Base interactions energy: -105.565
where: short stacking energy: -49.969
Base-Backbone interact. energy: -0.136
local terms energy: -66.727336
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -7.418
tors. eta vs tors. theta energy: -13.328
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: 7
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -109.390608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.390608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.390608 (E_RNA)
where:
Base-Base interactions energy: -48.598
where: short stacking energy: -37.979
Base-Backbone interact. energy: -0.273
local terms energy: -60.519420
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -15.422
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -5.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -123.303878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.303878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.303878 (E_RNA)
where:
Base-Base interactions energy: -65.325
where: short stacking energy: -46.923
Base-Backbone interact. energy: -0.171
local terms energy: -57.808043
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -8.624
flat angles C4'-P-C4' energy: -12.627
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -13.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -94.383799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.383799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.383799 (E_RNA)
where:
Base-Base interactions energy: -34.568
where: short stacking energy: -31.844
Base-Backbone interact. energy: -0.284
local terms energy: -59.531981
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -19.545
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -9.896
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: 4
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -85.194182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.194182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.194182 (E_RNA)
where:
Base-Base interactions energy: -29.749
where: short stacking energy: -29.749
Base-Backbone interact. energy: -0.733
local terms energy: -54.712377
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -14.312
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: 0.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -241.409819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.409819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.409819 (E_RNA)
where:
Base-Base interactions energy: -163.094
where: short stacking energy: -68.986
Base-Backbone interact. energy: -0.626
local terms energy: -77.689618
where:
bonds (distance) C4'-P energy: -18.235
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -20.262
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: 397
Temperature: 0.950000
Total energy: -223.611454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.611454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.611454 (E_RNA)
where:
Base-Base interactions energy: -153.387
where: short stacking energy: -61.905
Base-Backbone interact. energy: -0.471
local terms energy: -69.752725
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -20.318
flat angles P-C4'-P energy: -6.767
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: 3, replica: 2
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -223.228338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.228338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.228338 (E_RNA)
where:
Base-Base interactions energy: -142.262
where: short stacking energy: -75.898
Base-Backbone interact. energy: -0.121
local terms energy: -80.845375
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -14.835
flat angles C4'-P-C4' energy: -19.613
flat angles P-C4'-P energy: -10.008
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: 4, replica: 8
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -200.655610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.655610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.655610 (E_RNA)
where:
Base-Base interactions energy: -127.224
where: short stacking energy: -63.734
Base-Backbone interact. energy: -0.067
local terms energy: -73.364233
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -18.813
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -15.191
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: 397
Temperature: 1.100000
Total energy: -196.173784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.173784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.173784 (E_RNA)
where:
Base-Base interactions energy: -118.527
where: short stacking energy: -57.387
Base-Backbone interact. energy: -0.108
local terms energy: -77.539063
where:
bonds (distance) C4'-P energy: -16.944
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -16.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -177.648271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.648271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.648271 (E_RNA)
where:
Base-Base interactions energy: -106.521
where: short stacking energy: -51.797
Base-Backbone interact. energy: 0.362
local terms energy: -71.489100
where:
bonds (distance) C4'-P energy: -12.854
bonds (distance) P-C4' energy: -14.530
flat angles C4'-P-C4' energy: -11.489
flat angles P-C4'-P energy: -14.438
tors. eta vs tors. theta energy: -18.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -92.194861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.194861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.194861 (E_RNA)
where:
Base-Base interactions energy: -27.386
where: short stacking energy: -27.386
Base-Backbone interact. energy: 0.472
local terms energy: -65.280911
where:
bonds (distance) C4'-P energy: -16.059
bonds (distance) P-C4' energy: -19.002
flat angles C4'-P-C4' energy: -18.860
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -1.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -98.815567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.815567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.815567 (E_RNA)
where:
Base-Base interactions energy: -33.708
where: short stacking energy: -34.114
Base-Backbone interact. energy: -0.040
local terms energy: -65.067601
where:
bonds (distance) C4'-P energy: -18.297
bonds (distance) P-C4' energy: -15.922
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -12.882
tors. eta vs tors. theta energy: -2.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -94.603012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.603012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.603012 (E_RNA)
where:
Base-Base interactions energy: -40.093
where: short stacking energy: -24.723
Base-Backbone interact. energy: 0.919
local terms energy: -55.428321
where:
bonds (distance) C4'-P energy: -18.963
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -12.062
flat angles P-C4'-P energy: -9.400
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: 10, replica: 4
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -89.805200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.805200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.805200 (E_RNA)
where:
Base-Base interactions energy: -27.097
where: short stacking energy: -27.162
Base-Backbone interact. energy: 0.188
local terms energy: -62.896597
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -19.546
flat angles C4'-P-C4' energy: -16.860
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -4.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -216.935740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.935740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.935740 (E_RNA)
where:
Base-Base interactions energy: -141.060
where: short stacking energy: -58.504
Base-Backbone interact. energy: -0.418
local terms energy: -75.458348
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -16.108
flat angles C4'-P-C4' energy: -18.651
flat angles P-C4'-P energy: -12.120
tors. eta vs tors. theta energy: -12.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -231.649023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.649023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.649023 (E_RNA)
where:
Base-Base interactions energy: -155.539
where: short stacking energy: -72.385
Base-Backbone interact. energy: -0.424
local terms energy: -75.686440
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -15.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -203.618887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.618887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.618887 (E_RNA)
where:
Base-Base interactions energy: -119.328
where: short stacking energy: -69.623
Base-Backbone interact. energy: -0.144
local terms energy: -84.146571
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -18.508
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -19.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -210.383093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.383093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.383093 (E_RNA)
where:
Base-Base interactions energy: -132.649
where: short stacking energy: -64.225
Base-Backbone interact. energy: -0.481
local terms energy: -77.252925
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -19.189
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -14.962
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: 5, replica: 9
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -183.162762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.162762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.162762 (E_RNA)
where:
Base-Base interactions energy: -115.281
where: short stacking energy: -55.357
Base-Backbone interact. energy: -0.003
local terms energy: -67.878394
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -18.478
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -15.219
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: 5
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -176.493873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.493873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.493873 (E_RNA)
where:
Base-Base interactions energy: -106.854
where: short stacking energy: -56.050
Base-Backbone interact. energy: -0.007
local terms energy: -69.632307
where:
bonds (distance) C4'-P energy: -16.389
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -11.784
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: 3
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -109.627748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.627748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.627748 (E_RNA)
where:
Base-Base interactions energy: -44.017
where: short stacking energy: -34.861
Base-Backbone interact. energy: -0.091
local terms energy: -65.519109
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -5.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -110.908344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.908344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.908344 (E_RNA)
where:
Base-Base interactions energy: -43.700
where: short stacking energy: -43.700
Base-Backbone interact. energy: -0.014
local terms energy: -67.193642
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -18.432
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -10.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -105.354506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.354506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.354506 (E_RNA)
where:
Base-Base interactions energy: -40.908
where: short stacking energy: -40.578
Base-Backbone interact. energy: -0.211
local terms energy: -64.235685
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -12.159
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -8.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -89.645259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.645259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.645259 (E_RNA)
where:
Base-Base interactions energy: -36.304
where: short stacking energy: -31.239
Base-Backbone interact. energy: -0.307
local terms energy: -53.033753
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -0.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -223.239252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.239252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.239252 (E_RNA)
where:
Base-Base interactions energy: -142.422
where: short stacking energy: -69.104
Base-Backbone interact. energy: -0.128
local terms energy: -80.689531
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -19.367
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -11.574
tors. eta vs tors. theta energy: -16.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -239.641301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.641301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.641301 (E_RNA)
where:
Base-Base interactions energy: -161.449
where: short stacking energy: -71.117
Base-Backbone interact. energy: -0.358
local terms energy: -77.834643
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -18.576
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -20.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -222.627616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.627616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.627616 (E_RNA)
where:
Base-Base interactions energy: -139.001
where: short stacking energy: -79.120
Base-Backbone interact. energy: -0.004
local terms energy: -83.623159
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -14.513
tors. eta vs tors. theta energy: -20.264
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: 9
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -175.772934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.772934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.772934 (E_RNA)
where:
Base-Base interactions energy: -107.889
where: short stacking energy: -57.449
Base-Backbone interact. energy: -0.090
local terms energy: -67.793577
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -10.206
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: 5, replica: 8
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -200.489233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.489233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.489233 (E_RNA)
where:
Base-Base interactions energy: -131.609
where: short stacking energy: -53.382
Base-Backbone interact. energy: -0.136
local terms energy: -68.744351
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -12.095
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: -12.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -173.493519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.493519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.493519 (E_RNA)
where:
Base-Base interactions energy: -96.481
where: short stacking energy: -49.862
Base-Backbone interact. energy: -0.148
local terms energy: -76.864268
where:
bonds (distance) C4'-P energy: -16.355
bonds (distance) P-C4' energy: -18.280
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -13.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -98.740098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.740098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.740098 (E_RNA)
where:
Base-Base interactions energy: -37.162
where: short stacking energy: -35.779
Base-Backbone interact. energy: -0.894
local terms energy: -60.684200
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -14.379
flat angles P-C4'-P energy: -13.300
tors. eta vs tors. theta energy: -4.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -112.994769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.994769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.994769 (E_RNA)
where:
Base-Base interactions energy: -48.941
where: short stacking energy: -44.515
Base-Backbone interact. energy: -0.114
local terms energy: -63.939800
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -11.257
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: -12.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -91.566157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.566157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.566157 (E_RNA)
where:
Base-Base interactions energy: -28.289
where: short stacking energy: -27.237
Base-Backbone interact. energy: -0.177
local terms energy: -63.099909
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -17.650
flat angles P-C4'-P energy: -14.356
tors. eta vs tors. theta energy: -0.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -90.403071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.403071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.403071 (E_RNA)
where:
Base-Base interactions energy: -40.419
where: short stacking energy: -38.201
Base-Backbone interact. energy: 0.701
local terms energy: -50.685819
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -10.684
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -1.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -237.280453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.280453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.280453 (E_RNA)
where:
Base-Base interactions energy: -153.165
where: short stacking energy: -77.528
Base-Backbone interact. energy: -0.958
local terms energy: -83.157379
where:
bonds (distance) C4'-P energy: -14.266
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -16.922
flat angles P-C4'-P energy: -13.808
tors. eta vs tors. theta energy: -21.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -225.663903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.663903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.663903 (E_RNA)
where:
Base-Base interactions energy: -144.429
where: short stacking energy: -69.837
Base-Backbone interact. energy: -0.109
local terms energy: -81.126083
where:
bonds (distance) C4'-P energy: -17.668
bonds (distance) P-C4' energy: -14.897
flat angles C4'-P-C4' energy: -17.920
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -18.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -218.508656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.508656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.508656 (E_RNA)
where:
Base-Base interactions energy: -135.199
where: short stacking energy: -74.977
Base-Backbone interact. energy: -0.496
local terms energy: -82.814028
where:
bonds (distance) C4'-P energy: -17.337
bonds (distance) P-C4' energy: -16.834
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: -24.869
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: 9
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -185.181304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.181304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.181304 (E_RNA)
where:
Base-Base interactions energy: -111.298
where: short stacking energy: -55.976
Base-Backbone interact. energy: 0.296
local terms energy: -74.178457
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -13.195
tors. eta vs tors. theta energy: -15.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -188.315848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.315848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.315848 (E_RNA)
where:
Base-Base interactions energy: -115.619
where: short stacking energy: -54.260
Base-Backbone interact. energy: -0.083
local terms energy: -72.614349
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -16.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -144.504325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.504325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.504325 (E_RNA)
where:
Base-Base interactions energy: -77.669
where: short stacking energy: -43.791
Base-Backbone interact. energy: -0.268
local terms energy: -66.567293
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -15.521
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: -6.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -107.381989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.381989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.381989 (E_RNA)
where:
Base-Base interactions energy: -41.397
where: short stacking energy: -29.383
Base-Backbone interact. energy: -0.290
local terms energy: -65.694820
where:
bonds (distance) C4'-P energy: -15.459
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -5.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -95.367060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.367060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.367060 (E_RNA)
where:
Base-Base interactions energy: -39.911
where: short stacking energy: -22.903
Base-Backbone interact. energy: 0.628
local terms energy: -56.084161
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -18.777
flat angles C4'-P-C4' energy: -9.719
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -2.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -97.635267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.635267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.635267 (E_RNA)
where:
Base-Base interactions energy: -35.603
where: short stacking energy: -31.703
Base-Backbone interact. energy: 0.199
local terms energy: -62.231497
where:
bonds (distance) C4'-P energy: -10.547
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -13.604
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: 10, replica: 7
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -100.402881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.402881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.402881 (E_RNA)
where:
Base-Base interactions energy: -44.020
where: short stacking energy: -37.709
Base-Backbone interact. energy: -0.367
local terms energy: -56.016390
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -15.841
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -5.419
tors. eta vs tors. theta energy: -7.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -239.978269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.978269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.978269 (E_RNA)
where:
Base-Base interactions energy: -153.729
where: short stacking energy: -73.035
Base-Backbone interact. energy: -0.412
local terms energy: -85.837101
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -18.573
flat angles C4'-P-C4' energy: -18.803
flat angles P-C4'-P energy: -12.445
tors. eta vs tors. theta energy: -20.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -231.552008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.552008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.552008 (E_RNA)
where:
Base-Base interactions energy: -151.576
where: short stacking energy: -71.793
Base-Backbone interact. energy: -0.070
local terms energy: -79.905950
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -19.893
flat angles C4'-P-C4' energy: -19.793
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: -18.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -220.268111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.268111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.268111 (E_RNA)
where:
Base-Base interactions energy: -140.050
where: short stacking energy: -69.263
Base-Backbone interact. energy: -0.106
local terms energy: -80.111484
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -19.578
flat angles C4'-P-C4' energy: -19.344
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -15.497
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: 5
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -189.673097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.673097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.673097 (E_RNA)
where:
Base-Base interactions energy: -113.501
where: short stacking energy: -59.177
Base-Backbone interact. energy: -0.042
local terms energy: -76.130754
where:
bonds (distance) C4'-P energy: -10.862
bonds (distance) P-C4' energy: -15.552
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -17.213
tors. eta vs tors. theta energy: -16.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -186.352071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.352071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.352071 (E_RNA)
where:
Base-Base interactions energy: -103.292
where: short stacking energy: -59.887
Base-Backbone interact. energy: -0.012
local terms energy: -83.048809
where:
bonds (distance) C4'-P energy: -15.937
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -17.463
flat angles P-C4'-P energy: -14.494
tors. eta vs tors. theta energy: -18.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -170.322461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.322461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.322461 (E_RNA)
where:
Base-Base interactions energy: -106.463
where: short stacking energy: -51.564
Base-Backbone interact. energy: -0.437
local terms energy: -63.422595
where:
bonds (distance) C4'-P energy: -18.260
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -9.873
flat angles P-C4'-P energy: -4.944
tors. eta vs tors. theta energy: -14.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -139.349062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.349062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.349062 (E_RNA)
where:
Base-Base interactions energy: -85.915
where: short stacking energy: -27.883
Base-Backbone interact. energy: -0.170
local terms energy: -53.264200
where:
bonds (distance) C4'-P energy: -17.714
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -11.526
flat angles P-C4'-P energy: -8.559
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: 8, replica: 4
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -121.319484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.319484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.319484 (E_RNA)
where:
Base-Base interactions energy: -64.604
where: short stacking energy: -40.474
Base-Backbone interact. energy: -0.530
local terms energy: -56.185483
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -5.080
tors. eta vs tors. theta energy: -8.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -79.303310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.303310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.303310 (E_RNA)
where:
Base-Base interactions energy: -32.981
where: short stacking energy: -20.829
Base-Backbone interact. energy: -0.195
local terms energy: -46.127804
where:
bonds (distance) C4'-P energy: -17.788
bonds (distance) P-C4' energy: -10.985
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -6.844
tors. eta vs tors. theta energy: 3.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -81.776664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.776664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.776664 (E_RNA)
where:
Base-Base interactions energy: -25.154
where: short stacking energy: -25.154
Base-Backbone interact. energy: -0.108
local terms energy: -56.514908
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -12.051
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -2.133
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: 2
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -239.036074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.036074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.036074 (E_RNA)
where:
Base-Base interactions energy: -158.324
where: short stacking energy: -76.646
Base-Backbone interact. energy: -0.109
local terms energy: -80.602798
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -17.814
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -11.583
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: 6
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -234.781484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.781484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.781484 (E_RNA)
where:
Base-Base interactions energy: -146.510
where: short stacking energy: -69.486
Base-Backbone interact. energy: -1.098
local terms energy: -87.173623
where:
bonds (distance) C4'-P energy: -20.117
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -18.961
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -20.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -212.898071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.898071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.898071 (E_RNA)
where:
Base-Base interactions energy: -139.057
where: short stacking energy: -56.197
Base-Backbone interact. energy: -0.717
local terms energy: -73.123686
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -18.220
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -11.165
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: 4, replica: 5
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -184.568388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.568388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.568388 (E_RNA)
where:
Base-Base interactions energy: -116.649
where: short stacking energy: -66.681
Base-Backbone interact. energy: -0.613
local terms energy: -67.306264
where:
bonds (distance) C4'-P energy: -9.876
bonds (distance) P-C4' energy: -17.819
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -13.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -159.851272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.851272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.851272 (E_RNA)
where:
Base-Base interactions energy: -93.600
where: short stacking energy: -48.826
Base-Backbone interact. energy: -0.116
local terms energy: -66.135311
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -15.061
tors. eta vs tors. theta energy: -6.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -173.694706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.694706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.694706 (E_RNA)
where:
Base-Base interactions energy: -104.894
where: short stacking energy: -60.386
Base-Backbone interact. energy: -0.022
local terms energy: -68.778787
where:
bonds (distance) C4'-P energy: -13.814
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -12.388
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: 7, replica: 3
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -170.884558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.884558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.884558 (E_RNA)
where:
Base-Base interactions energy: -110.052
where: short stacking energy: -44.878
Base-Backbone interact. energy: 0.829
local terms energy: -61.661961
where:
bonds (distance) C4'-P energy: -10.198
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -11.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -118.529297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.529297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.529297 (E_RNA)
where:
Base-Base interactions energy: -65.894
where: short stacking energy: -36.837
Base-Backbone interact. energy: -0.270
local terms energy: -52.365592
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -4.687
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: 9, replica: 7
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -91.596581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.596581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.596581 (E_RNA)
where:
Base-Base interactions energy: -32.134
where: short stacking energy: -26.167
Base-Backbone interact. energy: -0.108
local terms energy: -59.354986
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -17.930
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -3.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -88.236688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.236688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.236688 (E_RNA)
where:
Base-Base interactions energy: -31.395
where: short stacking energy: -28.956
Base-Backbone interact. energy: -0.649
local terms energy: -56.192458
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -18.158
flat angles P-C4'-P energy: -5.404
tors. eta vs tors. theta energy: -3.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -240.093229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.093229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.093229 (E_RNA)
where:
Base-Base interactions energy: -160.118
where: short stacking energy: -71.775
Base-Backbone interact. energy: -0.072
local terms energy: -79.903828
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -16.715
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -19.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -217.275379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.275379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.275379 (E_RNA)
where:
Base-Base interactions energy: -147.235
where: short stacking energy: -64.775
Base-Backbone interact. energy: -0.094
local terms energy: -69.946081
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -15.721
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -15.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -225.461488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.461488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.461488 (E_RNA)
where:
Base-Base interactions energy: -147.186
where: short stacking energy: -70.712
Base-Backbone interact. energy: 0.094
local terms energy: -78.369798
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -13.508
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: -10.109
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: 8
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -169.434803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.434803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.434803 (E_RNA)
where:
Base-Base interactions energy: -96.779
where: short stacking energy: -62.548
Base-Backbone interact. energy: -0.728
local terms energy: -71.927531
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -19.922
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -6.890
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: 403
Temperature: 1.100000
Total energy: -200.859299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.859299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.859299 (E_RNA)
where:
Base-Base interactions energy: -130.371
where: short stacking energy: -68.564
Base-Backbone interact. energy: 0.294
local terms energy: -70.781978
where:
bonds (distance) C4'-P energy: -17.248
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -6.579
tors. eta vs tors. theta energy: -17.379
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: 3
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -169.049064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.049064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.049064 (E_RNA)
where:
Base-Base interactions energy: -106.682
where: short stacking energy: -51.240
Base-Backbone interact. energy: -0.487
local terms energy: -61.879731
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -14.981
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -12.074
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: 7, replica: 9
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -173.279507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.279507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.279507 (E_RNA)
where:
Base-Base interactions energy: -104.771
where: short stacking energy: -58.120
Base-Backbone interact. energy: -0.188
local terms energy: -68.321037
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -18.309
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -10.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -87.890372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.890372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.890372 (E_RNA)
where:
Base-Base interactions energy: -32.601
where: short stacking energy: -32.601
Base-Backbone interact. energy: 2.131
local terms energy: -57.420547
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -16.401
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -11.588
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: 9, replica: 4
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -105.484805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.484805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.484805 (E_RNA)
where:
Base-Base interactions energy: -53.113
where: short stacking energy: -30.591
Base-Backbone interact. energy: 1.675
local terms energy: -54.047422
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -19.818
flat angles C4'-P-C4' energy: -9.159
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: 0.305
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: 1
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -84.370748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.370748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.370748 (E_RNA)
where:
Base-Base interactions energy: -23.486
where: short stacking energy: -22.843
Base-Backbone interact. energy: -0.383
local terms energy: -60.501557
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -12.752
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -7.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -244.689979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.689979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.689979 (E_RNA)
where:
Base-Base interactions energy: -158.557
where: short stacking energy: -78.340
Base-Backbone interact. energy: -0.101
local terms energy: -86.032650
where:
bonds (distance) C4'-P energy: -18.499
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -11.326
tors. eta vs tors. theta energy: -24.294
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: 2, replica: 10
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -223.626947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.626947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.626947 (E_RNA)
where:
Base-Base interactions energy: -147.791
where: short stacking energy: -65.222
Base-Backbone interact. energy: -0.349
local terms energy: -75.486123
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -17.901
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -17.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -220.172691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.172691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.172691 (E_RNA)
where:
Base-Base interactions energy: -143.357
where: short stacking energy: -64.475
Base-Backbone interact. energy: 0.321
local terms energy: -77.136598
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -17.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -173.162360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.162360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.162360 (E_RNA)
where:
Base-Base interactions energy: -103.052
where: short stacking energy: -51.668
Base-Backbone interact. energy: -0.099
local terms energy: -70.011445
where:
bonds (distance) C4'-P energy: -14.622
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -10.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -175.670025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.670025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.670025 (E_RNA)
where:
Base-Base interactions energy: -105.636
where: short stacking energy: -57.034
Base-Backbone interact. energy: -0.079
local terms energy: -69.954269
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -12.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -171.562106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.562106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.562106 (E_RNA)
where:
Base-Base interactions energy: -111.405
where: short stacking energy: -43.534
Base-Backbone interact. energy: -0.204
local terms energy: -59.952934
where:
bonds (distance) C4'-P energy: -8.954
bonds (distance) P-C4' energy: -16.898
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -10.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -174.623834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.623834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.623834 (E_RNA)
where:
Base-Base interactions energy: -120.488
where: short stacking energy: -62.625
Base-Backbone interact. energy: -0.045
local terms energy: -54.090904
where:
bonds (distance) C4'-P energy: -9.947
bonds (distance) P-C4' energy: -10.224
flat angles C4'-P-C4' energy: -10.803
flat angles P-C4'-P energy: -7.167
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: 8, replica: 7
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -91.748383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.748383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.748383 (E_RNA)
where:
Base-Base interactions energy: -31.823
where: short stacking energy: -31.823
Base-Backbone interact. energy: -0.033
local terms energy: -59.892312
where:
bonds (distance) C4'-P energy: -17.770
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -11.592
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: -6.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -111.176388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.176388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.176388 (E_RNA)
where:
Base-Base interactions energy: -50.023
where: short stacking energy: -39.464
Base-Backbone interact. energy: -0.134
local terms energy: -61.019365
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -18.409
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -2.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -93.104629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.104629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.104629 (E_RNA)
where:
Base-Base interactions energy: -41.007
where: short stacking energy: -37.769
Base-Backbone interact. energy: 0.167
local terms energy: -52.264212
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -17.850
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -2.396
tors. eta vs tors. theta energy: -4.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -247.960939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.960939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.960939 (E_RNA)
where:
Base-Base interactions energy: -165.324
where: short stacking energy: -81.112
Base-Backbone interact. energy: -0.103
local terms energy: -82.533315
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -20.380
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: -22.917
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: 405
Temperature: 0.950000
Total energy: -224.166401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.166401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.166401 (E_RNA)
where:
Base-Base interactions energy: -147.487
where: short stacking energy: -62.909
Base-Backbone interact. energy: -0.515
local terms energy: -76.164788
where:
bonds (distance) C4'-P energy: -17.324
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -13.761
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: 3, replica: 6
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -235.193525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.193525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.193525 (E_RNA)
where:
Base-Base interactions energy: -156.833
where: short stacking energy: -63.151
Base-Backbone interact. energy: -0.373
local terms energy: -77.987585
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -18.685
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: -17.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -194.949671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.949671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.949671 (E_RNA)
where:
Base-Base interactions energy: -119.327
where: short stacking energy: -42.611
Base-Backbone interact. energy: -1.072
local terms energy: -74.550763
where:
bonds (distance) C4'-P energy: -17.714
bonds (distance) P-C4' energy: -17.565
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -13.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -160.448285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.448285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.448285 (E_RNA)
where:
Base-Base interactions energy: -89.652
where: short stacking energy: -56.642
Base-Backbone interact. energy: -0.210
local terms energy: -70.585699
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -12.782
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: 6, replica: 9
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -201.619293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.619293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.619293 (E_RNA)
where:
Base-Base interactions energy: -120.210
where: short stacking energy: -59.369
Base-Backbone interact. energy: -0.049
local terms energy: -81.360509
where:
bonds (distance) C4'-P energy: -19.548
bonds (distance) P-C4' energy: -18.223
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -15.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -158.133749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.133749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.133749 (E_RNA)
where:
Base-Base interactions energy: -93.550
where: short stacking energy: -41.565
Base-Backbone interact. energy: -0.059
local terms energy: -64.524299
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -17.499
flat angles P-C4'-P energy: -7.207
tors. eta vs tors. theta energy: -8.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -97.545290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.545290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.545290 (E_RNA)
where:
Base-Base interactions energy: -35.425
where: short stacking energy: -14.363
Base-Backbone interact. energy: -0.013
local terms energy: -62.106853
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -8.801
tors. eta vs tors. theta energy: -6.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -105.070845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.070845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.070845 (E_RNA)
where:
Base-Base interactions energy: -49.572
where: short stacking energy: -41.370
Base-Backbone interact. energy: -0.098
local terms energy: -55.400011
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -11.456
flat angles P-C4'-P energy: -2.485
tors. eta vs tors. theta energy: -8.646
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: 4
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -89.095211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.095211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.095211 (E_RNA)
where:
Base-Base interactions energy: -38.934
where: short stacking energy: -30.037
Base-Backbone interact. energy: 0.418
local terms energy: -50.579675
where:
bonds (distance) C4'-P energy: -12.440
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -3.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -246.618244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.618244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.618244 (E_RNA)
where:
Base-Base interactions energy: -158.603
where: short stacking energy: -76.262
Base-Backbone interact. energy: -0.100
local terms energy: -87.915540
where:
bonds (distance) C4'-P energy: -18.835
bonds (distance) P-C4' energy: -19.921
flat angles C4'-P-C4' energy: -18.956
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -20.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -225.429324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.429324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.429324 (E_RNA)
where:
Base-Base interactions energy: -142.131
where: short stacking energy: -65.375
Base-Backbone interact. energy: -0.139
local terms energy: -83.159841
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -19.480
flat angles P-C4'-P energy: -14.892
tors. eta vs tors. theta energy: -18.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -236.585173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.585173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.585173 (E_RNA)
where:
Base-Base interactions energy: -154.719
where: short stacking energy: -75.914
Base-Backbone interact. energy: 0.374
local terms energy: -82.239378
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -24.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -186.039329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.039329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.039329 (E_RNA)
where:
Base-Base interactions energy: -124.887
where: short stacking energy: -45.264
Base-Backbone interact. energy: -0.962
local terms energy: -60.189665
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -4.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -189.420256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.420256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.420256 (E_RNA)
where:
Base-Base interactions energy: -110.204
where: short stacking energy: -66.034
Base-Backbone interact. energy: -0.149
local terms energy: -79.067231
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -19.246
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -13.576
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: 6, replica: 8
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -152.174184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.174184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.174184 (E_RNA)
where:
Base-Base interactions energy: -94.322
where: short stacking energy: -54.279
Base-Backbone interact. energy: 0.054
local terms energy: -57.906550
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -13.778
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: 7, replica: 5
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -186.740112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.740112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.740112 (E_RNA)
where:
Base-Base interactions energy: -114.460
where: short stacking energy: -55.314
Base-Backbone interact. energy: -0.752
local terms energy: -71.528793
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -18.181
flat angles C4'-P-C4' energy: -11.598
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -15.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -98.394463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.394463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.394463 (E_RNA)
where:
Base-Base interactions energy: -40.096
where: short stacking energy: -36.444
Base-Backbone interact. energy: -0.025
local terms energy: -58.274315
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -4.597
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: 9, replica: 4
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -85.133244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.133244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.133244 (E_RNA)
where:
Base-Base interactions energy: -28.234
where: short stacking energy: -28.234
Base-Backbone interact. energy: -0.738
local terms energy: -56.160634
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -6.628
tors. eta vs tors. theta energy: -4.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -81.242588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.242588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.242588 (E_RNA)
where:
Base-Base interactions energy: -27.261
where: short stacking energy: -27.261
Base-Backbone interact. energy: 0.189
local terms energy: -54.170939
where:
bonds (distance) C4'-P energy: -16.315
bonds (distance) P-C4' energy: -9.389
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -2.285
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: 2
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -234.558128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.558128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.558128 (E_RNA)
where:
Base-Base interactions energy: -155.160
where: short stacking energy: -65.778
Base-Backbone interact. energy: -0.105
local terms energy: -79.292851
where:
bonds (distance) C4'-P energy: -16.914
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -18.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -233.210645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.210645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.210645 (E_RNA)
where:
Base-Base interactions energy: -150.677
where: short stacking energy: -70.893
Base-Backbone interact. energy: 0.593
local terms energy: -83.127086
where:
bonds (distance) C4'-P energy: -18.073
bonds (distance) P-C4' energy: -17.067
flat angles C4'-P-C4' energy: -17.805
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -20.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -212.580797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.580797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.580797 (E_RNA)
where:
Base-Base interactions energy: -136.552
where: short stacking energy: -58.856
Base-Backbone interact. energy: -0.207
local terms energy: -75.821461
where:
bonds (distance) C4'-P energy: -12.859
bonds (distance) P-C4' energy: -19.185
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: -13.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -181.177538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.177538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.177538 (E_RNA)
where:
Base-Base interactions energy: -108.832
where: short stacking energy: -60.151
Base-Backbone interact. energy: -0.038
local terms energy: -72.307941
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -17.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -192.757023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.757023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.757023 (E_RNA)
where:
Base-Base interactions energy: -119.728
where: short stacking energy: -61.655
Base-Backbone interact. energy: -0.087
local terms energy: -72.942740
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -11.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -167.576860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.576860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.576860 (E_RNA)
where:
Base-Base interactions energy: -109.737
where: short stacking energy: -48.932
Base-Backbone interact. energy: 1.363
local terms energy: -59.202588
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -13.971
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -5.867
tors. eta vs tors. theta energy: -8.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -142.833004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.833004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.833004 (E_RNA)
where:
Base-Base interactions energy: -77.270
where: short stacking energy: -41.101
Base-Backbone interact. energy: -0.113
local terms energy: -65.450446
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -17.231
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -3.432
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: 1
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -92.502986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.502986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.502986 (E_RNA)
where:
Base-Base interactions energy: -35.976
where: short stacking energy: -35.480
Base-Backbone interact. energy: -0.188
local terms energy: -56.338665
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -7.223
tors. eta vs tors. theta energy: -7.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -90.892348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.892348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.892348 (E_RNA)
where:
Base-Base interactions energy: -31.364
where: short stacking energy: -27.095
Base-Backbone interact. energy: -0.304
local terms energy: -59.223519
where:
bonds (distance) C4'-P energy: -18.111
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -6.740
tors. eta vs tors. theta energy: -3.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -91.554829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.554829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.554829 (E_RNA)
where:
Base-Base interactions energy: -33.701
where: short stacking energy: -23.632
Base-Backbone interact. energy: -0.205
local terms energy: -57.649394
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -19.168
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -6.367
tors. eta vs tors. theta energy: -2.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -242.671832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.671832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.671832 (E_RNA)
where:
Base-Base interactions energy: -158.575
where: short stacking energy: -81.452
Base-Backbone interact. energy: -0.460
local terms energy: -83.637568
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -18.893
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -21.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -225.051255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.051255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.051255 (E_RNA)
where:
Base-Base interactions energy: -150.679
where: short stacking energy: -71.817
Base-Backbone interact. energy: -0.100
local terms energy: -74.271771
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -17.719
flat angles C4'-P-C4' energy: -20.407
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -15.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -222.173999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.173999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.173999 (E_RNA)
where:
Base-Base interactions energy: -145.307
where: short stacking energy: -61.524
Base-Backbone interact. energy: -0.249
local terms energy: -76.617667
where:
bonds (distance) C4'-P energy: -18.528
bonds (distance) P-C4' energy: -17.881
flat angles C4'-P-C4' energy: -18.414
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -10.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -189.782202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.782202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.782202 (E_RNA)
where:
Base-Base interactions energy: -116.073
where: short stacking energy: -60.213
Base-Backbone interact. energy: -0.364
local terms energy: -73.345101
where:
bonds (distance) C4'-P energy: -17.357
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -18.977
flat angles P-C4'-P energy: -7.336
tors. eta vs tors. theta energy: -12.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -181.880589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.880589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.880589 (E_RNA)
where:
Base-Base interactions energy: -114.020
where: short stacking energy: -49.338
Base-Backbone interact. energy: 1.529
local terms energy: -69.389802
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -18.019
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -10.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -171.670137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.670137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.670137 (E_RNA)
where:
Base-Base interactions energy: -105.113
where: short stacking energy: -43.407
Base-Backbone interact. energy: 0.095
local terms energy: -66.652120
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -18.675
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -6.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -102.394940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.394940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.394940 (E_RNA)
where:
Base-Base interactions energy: -39.215
where: short stacking energy: -39.215
Base-Backbone interact. energy: -0.147
local terms energy: -63.032955
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -4.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -136.652130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.652130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.652130 (E_RNA)
where:
Base-Base interactions energy: -68.822
where: short stacking energy: -37.446
Base-Backbone interact. energy: -0.064
local terms energy: -67.766101
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -18.049
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -6.592
tors. eta vs tors. theta energy: -13.001
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: 4
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -93.777354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.777354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.777354 (E_RNA)
where:
Base-Base interactions energy: -32.867
where: short stacking energy: -31.065
Base-Backbone interact. energy: -0.237
local terms energy: -60.673884
where:
bonds (distance) C4'-P energy: -17.412
bonds (distance) P-C4' energy: -19.612
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -7.693
tors. eta vs tors. theta energy: -0.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -91.768842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.768842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.768842 (E_RNA)
where:
Base-Base interactions energy: -33.377
where: short stacking energy: -33.377
Base-Backbone interact. energy: -0.055
local terms energy: -58.337500
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -15.507
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -2.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -240.479775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.479775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.479775 (E_RNA)
where:
Base-Base interactions energy: -153.292
where: short stacking energy: -78.366
Base-Backbone interact. energy: -0.503
local terms energy: -86.683930
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -16.423
flat angles C4'-P-C4' energy: -17.531
flat angles P-C4'-P energy: -15.854
tors. eta vs tors. theta energy: -21.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -230.825323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.825323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.825323 (E_RNA)
where:
Base-Base interactions energy: -149.816
where: short stacking energy: -77.992
Base-Backbone interact. energy: -0.724
local terms energy: -80.285239
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -19.046
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: -19.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -220.125021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.125021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.125021 (E_RNA)
where:
Base-Base interactions energy: -139.101
where: short stacking energy: -69.032
Base-Backbone interact. energy: -0.076
local terms energy: -80.947331
where:
bonds (distance) C4'-P energy: -16.915
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -18.943
flat angles P-C4'-P energy: -13.958
tors. eta vs tors. theta energy: -16.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -217.295612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.295612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.295612 (E_RNA)
where:
Base-Base interactions energy: -131.484
where: short stacking energy: -76.177
Base-Backbone interact. energy: -0.013
local terms energy: -85.798976
where:
bonds (distance) C4'-P energy: -18.466
bonds (distance) P-C4' energy: -13.608
flat angles C4'-P-C4' energy: -17.024
flat angles P-C4'-P energy: -16.268
tors. eta vs tors. theta energy: -20.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -172.345113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.345113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.345113 (E_RNA)
where:
Base-Base interactions energy: -105.623
where: short stacking energy: -47.341
Base-Backbone interact. energy: 0.213
local terms energy: -66.934269
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -17.589
flat angles P-C4'-P energy: -9.456
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: 6, replica: 5
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -166.932851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.932851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.932851 (E_RNA)
where:
Base-Base interactions energy: -99.990
where: short stacking energy: -57.525
Base-Backbone interact. energy: -0.198
local terms energy: -66.745270
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -13.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -101.843485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.843485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.843485 (E_RNA)
where:
Base-Base interactions energy: -46.534
where: short stacking energy: -46.534
Base-Backbone interact. energy: -0.116
local terms energy: -55.194449
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -11.916
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: -7.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -124.885135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.885135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.885135 (E_RNA)
where:
Base-Base interactions energy: -67.492
where: short stacking energy: -35.582
Base-Backbone interact. energy: -0.088
local terms energy: -57.305761
where:
bonds (distance) C4'-P energy: -11.064
bonds (distance) P-C4' energy: -18.675
flat angles C4'-P-C4' energy: -9.280
flat angles P-C4'-P energy: -10.914
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: 4
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -91.460848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.460848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.460848 (E_RNA)
where:
Base-Base interactions energy: -34.504
where: short stacking energy: -34.374
Base-Backbone interact. energy: -0.062
local terms energy: -56.894358
where:
bonds (distance) C4'-P energy: -13.868
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -7.526
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: 7
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -99.654886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.654886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.654886 (E_RNA)
where:
Base-Base interactions energy: -46.866
where: short stacking energy: -36.400
Base-Backbone interact. energy: -0.383
local terms energy: -52.406410
where:
bonds (distance) C4'-P energy: -12.582
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -11.810
flat angles P-C4'-P energy: -6.912
tors. eta vs tors. theta energy: -6.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -227.742366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.742366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.742366 (E_RNA)
where:
Base-Base interactions energy: -142.439
where: short stacking energy: -73.329
Base-Backbone interact. energy: -0.092
local terms energy: -85.211972
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -18.322
flat angles C4'-P-C4' energy: -19.229
flat angles P-C4'-P energy: -13.732
tors. eta vs tors. theta energy: -17.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -233.884638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.884638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.884638 (E_RNA)
where:
Base-Base interactions energy: -151.881
where: short stacking energy: -67.133
Base-Backbone interact. energy: -1.410
local terms energy: -80.593427
where:
bonds (distance) C4'-P energy: -18.673
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -14.127
tors. eta vs tors. theta energy: -19.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -207.861046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.861046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.861046 (E_RNA)
where:
Base-Base interactions energy: -135.285
where: short stacking energy: -75.306
Base-Backbone interact. energy: -0.134
local terms energy: -72.442169
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -11.773
flat angles P-C4'-P energy: -15.299
tors. eta vs tors. theta energy: -16.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -201.993578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.993578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.993578 (E_RNA)
where:
Base-Base interactions energy: -133.480
where: short stacking energy: -65.526
Base-Backbone interact. energy: -0.131
local terms energy: -68.382448
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -17.425
flat angles P-C4'-P energy: -6.553
tors. eta vs tors. theta energy: -14.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -161.551519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.551519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.551519 (E_RNA)
where:
Base-Base interactions energy: -99.179
where: short stacking energy: -58.739
Base-Backbone interact. energy: -0.172
local terms energy: -62.201088
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -14.455
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -8.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -150.824438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.824438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.824438 (E_RNA)
where:
Base-Base interactions energy: -80.721
where: short stacking energy: -39.118
Base-Backbone interact. energy: -0.087
local terms energy: -70.016269
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -13.404
tors. eta vs tors. theta energy: -14.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -156.633253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.633253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.633253 (E_RNA)
where:
Base-Base interactions energy: -95.162
where: short stacking energy: -49.549
Base-Backbone interact. energy: -0.122
local terms energy: -61.349425
where:
bonds (distance) C4'-P energy: -18.830
bonds (distance) P-C4' energy: -11.147
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -10.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -114.028475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.028475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.028475 (E_RNA)
where:
Base-Base interactions energy: -48.191
where: short stacking energy: -48.191
Base-Backbone interact. energy: -0.183
local terms energy: -65.653529
where:
bonds (distance) C4'-P energy: -16.824
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -11.632
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -10.198
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: 7
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -98.369867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.369867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.369867 (E_RNA)
where:
Base-Base interactions energy: -38.100
where: short stacking energy: -24.104
Base-Backbone interact. energy: -0.409
local terms energy: -59.861261
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -18.121
flat angles C4'-P-C4' energy: -9.457
flat angles P-C4'-P energy: -12.741
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: 10, replica: 4
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -79.287624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.287624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.287624 (E_RNA)
where:
Base-Base interactions energy: -23.913
where: short stacking energy: -23.913
Base-Backbone interact. energy: 0.069
local terms energy: -55.443429
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -0.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -245.063528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.063528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.063528 (E_RNA)
where:
Base-Base interactions energy: -162.525
where: short stacking energy: -81.399
Base-Backbone interact. energy: -0.130
local terms energy: -82.408765
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -18.571
flat angles P-C4'-P energy: -13.611
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: 6
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -248.116787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.116787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.116787 (E_RNA)
where:
Base-Base interactions energy: -159.600
where: short stacking energy: -79.712
Base-Backbone interact. energy: -0.579
local terms energy: -87.937827
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -19.105
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -23.221
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: 9
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -202.479625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.479625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.479625 (E_RNA)
where:
Base-Base interactions energy: -125.052
where: short stacking energy: -62.976
Base-Backbone interact. energy: -0.086
local terms energy: -77.342132
where:
bonds (distance) C4'-P energy: -12.320
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -17.128
flat angles P-C4'-P energy: -15.935
tors. eta vs tors. theta energy: -15.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -186.002014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.002014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.002014 (E_RNA)
where:
Base-Base interactions energy: -109.651
where: short stacking energy: -68.632
Base-Backbone interact. energy: -0.020
local terms energy: -76.331070
where:
bonds (distance) C4'-P energy: -16.360
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -15.607
tors. eta vs tors. theta energy: -16.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -190.304685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.304685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.304685 (E_RNA)
where:
Base-Base interactions energy: -118.291
where: short stacking energy: -65.202
Base-Backbone interact. energy: -0.001
local terms energy: -72.012822
where:
bonds (distance) C4'-P energy: -12.009
bonds (distance) P-C4' energy: -14.858
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -13.167
tors. eta vs tors. theta energy: -15.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -163.384559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.384559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.384559 (E_RNA)
where:
Base-Base interactions energy: -90.479
where: short stacking energy: -48.634
Base-Backbone interact. energy: -0.049
local terms energy: -72.856658
where:
bonds (distance) C4'-P energy: -18.528
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -14.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -146.014837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.014837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.014837 (E_RNA)
where:
Base-Base interactions energy: -82.958
where: short stacking energy: -38.176
Base-Backbone interact. energy: -0.256
local terms energy: -62.800362
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -4.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -107.529249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.529249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.529249 (E_RNA)
where:
Base-Base interactions energy: -45.776
where: short stacking energy: -32.099
Base-Backbone interact. energy: -0.092
local terms energy: -61.661322
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -7.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -96.900332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.900332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.900332 (E_RNA)
where:
Base-Base interactions energy: -35.877
where: short stacking energy: -30.091
Base-Backbone interact. energy: -0.245
local terms energy: -60.777548
where:
bonds (distance) C4'-P energy: -10.477
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -14.220
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: 10, replica: 4
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -83.324448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.324448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.324448 (E_RNA)
where:
Base-Base interactions energy: -26.370
where: short stacking energy: -26.370
Base-Backbone interact. energy: -0.340
local terms energy: -56.613902
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -15.974
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -1.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -245.348420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.348420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.348420 (E_RNA)
where:
Base-Base interactions energy: -170.455
where: short stacking energy: -69.934
Base-Backbone interact. energy: -0.596
local terms energy: -74.297673
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -20.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -245.302744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.302744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.302744 (E_RNA)
where:
Base-Base interactions energy: -152.841
where: short stacking energy: -80.832
Base-Backbone interact. energy: -0.310
local terms energy: -92.152550
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -21.364
flat angles C4'-P-C4' energy: -18.477
flat angles P-C4'-P energy: -13.434
tors. eta vs tors. theta energy: -20.962
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: 9
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -205.628372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.628372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.628372 (E_RNA)
where:
Base-Base interactions energy: -132.147
where: short stacking energy: -69.912
Base-Backbone interact. energy: 0.056
local terms energy: -73.537479
where:
bonds (distance) C4'-P energy: -10.748
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -18.548
flat angles P-C4'-P energy: -14.162
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: 4, replica: 5
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -189.417108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.417108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.417108 (E_RNA)
where:
Base-Base interactions energy: -114.514
where: short stacking energy: -66.759
Base-Backbone interact. energy: -0.141
local terms energy: -74.761807
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -17.036
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -16.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -184.048607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.048607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.048607 (E_RNA)
where:
Base-Base interactions energy: -116.582
where: short stacking energy: -54.799
Base-Backbone interact. energy: 0.428
local terms energy: -67.894904
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -11.631
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -15.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -174.980300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.980300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.980300 (E_RNA)
where:
Base-Base interactions energy: -115.957
where: short stacking energy: -53.358
Base-Backbone interact. energy: -0.732
local terms energy: -58.291171
where:
bonds (distance) C4'-P energy: -16.844
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -11.954
flat angles P-C4'-P energy: -4.372
tors. eta vs tors. theta energy: -8.499
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: 7, replica: 3
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -138.650850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.650850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.650850 (E_RNA)
where:
Base-Base interactions energy: -76.449
where: short stacking energy: -43.539
Base-Backbone interact. energy: -0.067
local terms energy: -62.134077
where:
bonds (distance) C4'-P energy: -16.398
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -18.479
flat angles P-C4'-P energy: -6.148
tors. eta vs tors. theta energy: -5.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -100.687955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.687955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.687955 (E_RNA)
where:
Base-Base interactions energy: -41.243
where: short stacking energy: -35.506
Base-Backbone interact. energy: -0.210
local terms energy: -59.234958
where:
bonds (distance) C4'-P energy: -11.699
bonds (distance) P-C4' energy: -17.103
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -10.740
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: 412
Temperature: 1.300000
Total energy: -86.115930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.115930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.115930 (E_RNA)
where:
Base-Base interactions energy: -29.303
where: short stacking energy: -28.797
Base-Backbone interact. energy: -0.123
local terms energy: -56.689909
where:
bonds (distance) C4'-P energy: -17.222
bonds (distance) P-C4' energy: -17.790
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: 2.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -83.859348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.859348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.859348 (E_RNA)
where:
Base-Base interactions energy: -25.308
where: short stacking energy: -25.308
Base-Backbone interact. energy: -0.014
local terms energy: -58.537104
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -3.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -239.785922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.785922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.785922 (E_RNA)
where:
Base-Base interactions energy: -151.647
where: short stacking energy: -63.710
Base-Backbone interact. energy: -0.368
local terms energy: -87.771084
where:
bonds (distance) C4'-P energy: -17.383
bonds (distance) P-C4' energy: -19.123
flat angles C4'-P-C4' energy: -18.972
flat angles P-C4'-P energy: -13.813
tors. eta vs tors. theta energy: -18.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -231.132461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.132461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.132461 (E_RNA)
where:
Base-Base interactions energy: -141.791
where: short stacking energy: -82.567
Base-Backbone interact. energy: 0.083
local terms energy: -89.424002
where:
bonds (distance) C4'-P energy: -18.798
bonds (distance) P-C4' energy: -18.914
flat angles C4'-P-C4' energy: -19.856
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -22.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -228.052813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.052813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.052813 (E_RNA)
where:
Base-Base interactions energy: -142.542
where: short stacking energy: -67.095
Base-Backbone interact. energy: -0.122
local terms energy: -85.389144
where:
bonds (distance) C4'-P energy: -18.681
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -17.648
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: -20.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -205.629915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.629915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.629915 (E_RNA)
where:
Base-Base interactions energy: -131.625
where: short stacking energy: -68.320
Base-Backbone interact. energy: -0.220
local terms energy: -73.785715
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -7.610
tors. eta vs tors. theta energy: -17.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -190.048860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.048860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.048860 (E_RNA)
where:
Base-Base interactions energy: -126.614
where: short stacking energy: -55.259
Base-Backbone interact. energy: -0.266
local terms energy: -63.169469
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -5.045
tors. eta vs tors. theta energy: -16.298
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: 6, replica: 3
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -148.204690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.204690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.204690 (E_RNA)
where:
Base-Base interactions energy: -80.330
where: short stacking energy: -43.185
Base-Backbone interact. energy: -0.417
local terms energy: -67.457013
where:
bonds (distance) C4'-P energy: -16.965
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -12.169
tors. eta vs tors. theta energy: -6.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -151.926319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.926319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.926319 (E_RNA)
where:
Base-Base interactions energy: -87.343
where: short stacking energy: -42.217
Base-Backbone interact. energy: 1.015
local terms energy: -65.597776
where:
bonds (distance) C4'-P energy: -8.018
bonds (distance) P-C4' energy: -19.291
flat angles C4'-P-C4' energy: -17.697
flat angles P-C4'-P energy: -11.973
tors. eta vs tors. theta energy: -8.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -100.636002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.636002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.636002 (E_RNA)
where:
Base-Base interactions energy: -53.342
where: short stacking energy: -48.956
Base-Backbone interact. energy: 3.792
local terms energy: -51.085764
where:
bonds (distance) C4'-P energy: -6.750
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -11.348
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: 9, replica: 7
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -105.314985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.314985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.314985 (E_RNA)
where:
Base-Base interactions energy: -46.700
where: short stacking energy: -41.851
Base-Backbone interact. energy: 0.787
local terms energy: -59.401206
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -3.612
tors. eta vs tors. theta energy: -10.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -80.991163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.991163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.991163 (E_RNA)
where:
Base-Base interactions energy: -33.339
where: short stacking energy: -33.339
Base-Backbone interact. energy: 1.254
local terms energy: -48.905996
where:
bonds (distance) C4'-P energy: -11.270
bonds (distance) P-C4' energy: -10.492
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -2.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -240.454678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.454678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.454678 (E_RNA)
where:
Base-Base interactions energy: -158.962
where: short stacking energy: -66.144
Base-Backbone interact. energy: -1.251
local terms energy: -80.241313
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -17.832
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -19.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -206.324108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.324108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.324108 (E_RNA)
where:
Base-Base interactions energy: -127.070
where: short stacking energy: -71.084
Base-Backbone interact. energy: -0.049
local terms energy: -79.204520
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -18.512
flat angles C4'-P-C4' energy: -18.547
flat angles P-C4'-P energy: -11.838
tors. eta vs tors. theta energy: -14.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -231.142137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.142137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.142137 (E_RNA)
where:
Base-Base interactions energy: -152.544
where: short stacking energy: -72.300
Base-Backbone interact. energy: -0.161
local terms energy: -78.437826
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -12.328
tors. eta vs tors. theta energy: -18.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -200.639186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.639186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.639186 (E_RNA)
where:
Base-Base interactions energy: -124.587
where: short stacking energy: -62.421
Base-Backbone interact. energy: -1.180
local terms energy: -74.872344
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -13.216
tors. eta vs tors. theta energy: -14.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -197.402778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.402778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.402778 (E_RNA)
where:
Base-Base interactions energy: -129.275
where: short stacking energy: -58.879
Base-Backbone interact. energy: 0.711
local terms energy: -68.838523
where:
bonds (distance) C4'-P energy: -17.538
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -10.951
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -14.322
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: 3
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -163.111309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.111309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.111309 (E_RNA)
where:
Base-Base interactions energy: -95.075
where: short stacking energy: -45.567
Base-Backbone interact. energy: -0.045
local terms energy: -67.991242
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -17.641
flat angles P-C4'-P energy: -6.096
tors. eta vs tors. theta energy: -10.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -145.411658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.411658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.411658 (E_RNA)
where:
Base-Base interactions energy: -91.912
where: short stacking energy: -49.352
Base-Backbone interact. energy: 5.907
local terms energy: -59.407162
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -8.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -141.402149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.402149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.402149 (E_RNA)
where:
Base-Base interactions energy: -87.756
where: short stacking energy: -51.775
Base-Backbone interact. energy: 6.468
local terms energy: -60.114937
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -17.910
flat angles P-C4'-P energy: -8.814
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: 9, replica: 1
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -133.227318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.227318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.227318 (E_RNA)
where:
Base-Base interactions energy: -71.841
where: short stacking energy: -41.867
Base-Backbone interact. energy: 2.174
local terms energy: -63.560859
where:
bonds (distance) C4'-P energy: -17.721
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -15.988
flat angles P-C4'-P energy: -4.094
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: 7
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -83.749570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.749570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.749570 (E_RNA)
where:
Base-Base interactions energy: -32.104
where: short stacking energy: -31.970
Base-Backbone interact. energy: -0.023
local terms energy: -51.621769
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -8.860
flat angles C4'-P-C4' energy: -10.149
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -8.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -235.083815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.083815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.083815 (E_RNA)
where:
Base-Base interactions energy: -151.835
where: short stacking energy: -78.215
Base-Backbone interact. energy: -1.429
local terms energy: -81.819289
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -14.645
tors. eta vs tors. theta energy: -16.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -245.964038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.964038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.964038 (E_RNA)
where:
Base-Base interactions energy: -164.637
where: short stacking energy: -75.131
Base-Backbone interact. energy: -0.124
local terms energy: -81.203644
where:
bonds (distance) C4'-P energy: -19.166
bonds (distance) P-C4' energy: -17.730
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -18.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -200.608963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.608963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.608963 (E_RNA)
where:
Base-Base interactions energy: -121.654
where: short stacking energy: -62.980
Base-Backbone interact. energy: -0.029
local terms energy: -78.925456
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -18.661
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: -16.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -193.375258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.375258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.375258 (E_RNA)
where:
Base-Base interactions energy: -120.898
where: short stacking energy: -70.143
Base-Backbone interact. energy: -0.689
local terms energy: -71.788601
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -16.130
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -17.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -164.124294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.124294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.124294 (E_RNA)
where:
Base-Base interactions energy: -94.818
where: short stacking energy: -37.257
Base-Backbone interact. energy: 0.044
local terms energy: -69.350509
where:
bonds (distance) C4'-P energy: -13.890
bonds (distance) P-C4' energy: -20.142
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -11.884
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: 2
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -161.919080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.919080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.919080 (E_RNA)
where:
Base-Base interactions energy: -99.627
where: short stacking energy: -47.239
Base-Backbone interact. energy: -0.751
local terms energy: -61.541224
where:
bonds (distance) C4'-P energy: -18.992
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -10.852
flat angles P-C4'-P energy: -8.132
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: 7, replica: 3
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -174.138810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.138810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.138810 (E_RNA)
where:
Base-Base interactions energy: -102.725
where: short stacking energy: -48.838
Base-Backbone interact. energy: -0.139
local terms energy: -71.274704
where:
bonds (distance) C4'-P energy: -19.377
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -12.326
flat angles P-C4'-P energy: -9.909
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: 8, replica: 4
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -139.521157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.521157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.521157 (E_RNA)
where:
Base-Base interactions energy: -66.896
where: short stacking energy: -31.312
Base-Backbone interact. energy: -0.053
local terms energy: -72.571518
where:
bonds (distance) C4'-P energy: -16.487
bonds (distance) P-C4' energy: -19.246
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: -9.621
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: 9, replica: 1
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -117.079524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.079524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.079524 (E_RNA)
where:
Base-Base interactions energy: -65.029
where: short stacking energy: -37.894
Base-Backbone interact. energy: -0.366
local terms energy: -51.684679
where:
bonds (distance) C4'-P energy: -8.398
bonds (distance) P-C4' energy: -12.665
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -4.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -87.250085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.250085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.250085 (E_RNA)
where:
Base-Base interactions energy: -46.541
where: short stacking energy: -27.841
Base-Backbone interact. energy: -0.275
local terms energy: -40.434183
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -7.812
tors. eta vs tors. theta energy: 3.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -240.599365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.599365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.599365 (E_RNA)
where:
Base-Base interactions energy: -158.895
where: short stacking energy: -72.831
Base-Backbone interact. energy: -0.104
local terms energy: -81.600182
where:
bonds (distance) C4'-P energy: -17.747
bonds (distance) P-C4' energy: -17.141
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -18.597
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: 6
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -236.269654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.269654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.269654 (E_RNA)
where:
Base-Base interactions energy: -147.027
where: short stacking energy: -69.823
Base-Backbone interact. energy: -0.213
local terms energy: -89.029698
where:
bonds (distance) C4'-P energy: -18.856
bonds (distance) P-C4' energy: -16.803
flat angles C4'-P-C4' energy: -18.761
flat angles P-C4'-P energy: -12.672
tors. eta vs tors. theta energy: -21.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -209.375644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.375644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.375644 (E_RNA)
where:
Base-Base interactions energy: -125.194
where: short stacking energy: -69.950
Base-Backbone interact. energy: -0.008
local terms energy: -84.173170
where:
bonds (distance) C4'-P energy: -19.522
bonds (distance) P-C4' energy: -18.816
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -19.392
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: 9
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -203.256039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.256039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.256039 (E_RNA)
where:
Base-Base interactions energy: -121.700
where: short stacking energy: -70.088
Base-Backbone interact. energy: -0.030
local terms energy: -81.526055
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -18.503
flat angles C4'-P-C4' energy: -18.339
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -20.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -166.807114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.807114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.807114 (E_RNA)
where:
Base-Base interactions energy: -100.933
where: short stacking energy: -50.086
Base-Backbone interact. energy: -0.099
local terms energy: -65.775405
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -10.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -170.816904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.816904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.816904 (E_RNA)
where:
Base-Base interactions energy: -100.469
where: short stacking energy: -53.296
Base-Backbone interact. energy: -0.156
local terms energy: -70.192195
where:
bonds (distance) C4'-P energy: -17.905
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -18.392
flat angles P-C4'-P energy: -5.590
tors. eta vs tors. theta energy: -11.801
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: 7, replica: 3
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -155.708002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.708002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.708002 (E_RNA)
where:
Base-Base interactions energy: -92.115
where: short stacking energy: -45.396
Base-Backbone interact. energy: -0.066
local terms energy: -63.527104
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -9.385
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: 4
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -155.309709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.309709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.309709 (E_RNA)
where:
Base-Base interactions energy: -92.066
where: short stacking energy: -46.581
Base-Backbone interact. energy: -0.163
local terms energy: -63.081199
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -10.713
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -11.939
tors. eta vs tors. theta energy: -10.983
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: 7
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -90.454175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.454175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.454175 (E_RNA)
where:
Base-Base interactions energy: -39.782
where: short stacking energy: -34.163
Base-Backbone interact. energy: -0.253
local terms energy: -50.418996
where:
bonds (distance) C4'-P energy: -11.889
bonds (distance) P-C4' energy: -11.370
flat angles C4'-P-C4' energy: -10.863
flat angles P-C4'-P energy: -13.901
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: 10, replica: 1
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -85.243705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.243705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.243705 (E_RNA)
where:
Base-Base interactions energy: -31.864
where: short stacking energy: -30.798
Base-Backbone interact. energy: -0.317
local terms energy: -53.062122
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -8.805
flat angles P-C4'-P energy: -9.465
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: 10
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -224.572775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.572775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.572775 (E_RNA)
where:
Base-Base interactions energy: -144.937
where: short stacking energy: -67.576
Base-Backbone interact. energy: -0.567
local terms energy: -79.069165
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -20.172
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -16.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -223.495228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.495228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.495228 (E_RNA)
where:
Base-Base interactions energy: -137.852
where: short stacking energy: -66.196
Base-Backbone interact. energy: -0.248
local terms energy: -85.394884
where:
bonds (distance) C4'-P energy: -19.646
bonds (distance) P-C4' energy: -16.479
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -21.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -238.701958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.701958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.701958 (E_RNA)
where:
Base-Base interactions energy: -153.615
where: short stacking energy: -72.666
Base-Backbone interact. energy: -0.493
local terms energy: -84.593782
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -12.150
tors. eta vs tors. theta energy: -23.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -198.365657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.365657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.365657 (E_RNA)
where:
Base-Base interactions energy: -115.320
where: short stacking energy: -55.870
Base-Backbone interact. energy: -1.283
local terms energy: -81.762505
where:
bonds (distance) C4'-P energy: -18.913
bonds (distance) P-C4' energy: -20.155
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -13.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -186.860277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.860277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.860277 (E_RNA)
where:
Base-Base interactions energy: -132.255
where: short stacking energy: -48.168
Base-Backbone interact. energy: -1.613
local terms energy: -52.991674
where:
bonds (distance) C4'-P energy: -10.101
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -11.175
flat angles P-C4'-P energy: -4.435
tors. eta vs tors. theta energy: -9.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -175.397946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.397946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.397946 (E_RNA)
where:
Base-Base interactions energy: -107.878
where: short stacking energy: -57.614
Base-Backbone interact. energy: 3.395
local terms energy: -70.915647
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -12.631
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: -19.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -163.635845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.635845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.635845 (E_RNA)
where:
Base-Base interactions energy: -98.073
where: short stacking energy: -52.563
Base-Backbone interact. energy: -0.079
local terms energy: -65.483744
where:
bonds (distance) C4'-P energy: -8.804
bonds (distance) P-C4' energy: -19.217
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -8.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -157.182561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.182561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.182561 (E_RNA)
where:
Base-Base interactions energy: -93.263
where: short stacking energy: -48.059
Base-Backbone interact. energy: 0.607
local terms energy: -64.526637
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -17.444
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -10.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -80.206140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.206140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.206140 (E_RNA)
where:
Base-Base interactions energy: -21.350
where: short stacking energy: -20.726
Base-Backbone interact. energy: 0.359
local terms energy: -59.214947
where:
bonds (distance) C4'-P energy: -16.538
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -12.491
tors. eta vs tors. theta energy: 1.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -95.372508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.372508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.372508 (E_RNA)
where:
Base-Base interactions energy: -36.392
where: short stacking energy: -25.917
Base-Backbone interact. energy: -0.354
local terms energy: -58.627189
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -17.857
flat angles C4'-P-C4' energy: -9.798
flat angles P-C4'-P energy: -9.272
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: 8
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -235.593568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.593568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.593568 (E_RNA)
where:
Base-Base interactions energy: -149.542
where: short stacking energy: -81.875
Base-Backbone interact. energy: -0.044
local terms energy: -86.007754
where:
bonds (distance) C4'-P energy: -16.499
bonds (distance) P-C4' energy: -16.215
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -24.209
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: 10
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -221.241952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.241952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.241952 (E_RNA)
where:
Base-Base interactions energy: -144.334
where: short stacking energy: -69.020
Base-Backbone interact. energy: -0.246
local terms energy: -76.661458
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -17.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -234.126394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.126394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.126394 (E_RNA)
where:
Base-Base interactions energy: -151.305
where: short stacking energy: -73.402
Base-Backbone interact. energy: 0.520
local terms energy: -83.340900
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -18.898
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -21.808
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: 9
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -192.435734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.435734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.435734 (E_RNA)
where:
Base-Base interactions energy: -120.169
where: short stacking energy: -52.968
Base-Backbone interact. energy: -0.138
local terms energy: -72.128873
where:
bonds (distance) C4'-P energy: -18.372
bonds (distance) P-C4' energy: -17.148
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: -12.747
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: 5
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -171.861405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.861405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.861405 (E_RNA)
where:
Base-Base interactions energy: -103.157
where: short stacking energy: -54.866
Base-Backbone interact. energy: 0.160
local terms energy: -68.864461
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -11.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -162.260120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.260120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.260120 (E_RNA)
where:
Base-Base interactions energy: -104.339
where: short stacking energy: -44.926
Base-Backbone interact. energy: -0.671
local terms energy: -57.249766
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -17.271
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -4.849
tors. eta vs tors. theta energy: -4.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -126.200168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.200168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.200168 (E_RNA)
where:
Base-Base interactions energy: -62.931
where: short stacking energy: -43.454
Base-Backbone interact. energy: -0.147
local terms energy: -63.122464
where:
bonds (distance) C4'-P energy: -18.633
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -6.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -147.413558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.413558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.413558 (E_RNA)
where:
Base-Base interactions energy: -97.393
where: short stacking energy: -39.151
Base-Backbone interact. energy: 0.515
local terms energy: -50.535285
where:
bonds (distance) C4'-P energy: -16.998
bonds (distance) P-C4' energy: -14.150
flat angles C4'-P-C4' energy: -10.427
flat angles P-C4'-P energy: -3.704
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: 9, replica: 1
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -86.187987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.187987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.187987 (E_RNA)
where:
Base-Base interactions energy: -39.048
where: short stacking energy: -23.700
Base-Backbone interact. energy: -0.409
local terms energy: -46.730840
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -16.930
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -7.315
tors. eta vs tors. theta energy: 5.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -108.639302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.639302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.639302 (E_RNA)
where:
Base-Base interactions energy: -56.847
where: short stacking energy: -42.839
Base-Backbone interact. energy: -0.169
local terms energy: -51.623496
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -7.402
flat angles P-C4'-P energy: -7.418
tors. eta vs tors. theta energy: -7.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -243.013472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.013472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.013472 (E_RNA)
where:
Base-Base interactions energy: -150.987
where: short stacking energy: -85.008
Base-Backbone interact. energy: -0.148
local terms energy: -91.879156
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -18.358
flat angles P-C4'-P energy: -15.713
tors. eta vs tors. theta energy: -23.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -239.710155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.710155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.710155 (E_RNA)
where:
Base-Base interactions energy: -153.540
where: short stacking energy: -67.049
Base-Backbone interact. energy: -0.219
local terms energy: -85.951368
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -20.398
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -15.628
tors. eta vs tors. theta energy: -20.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -232.614008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.614008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.614008 (E_RNA)
where:
Base-Base interactions energy: -142.696
where: short stacking energy: -66.457
Base-Backbone interact. energy: -0.095
local terms energy: -89.822725
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -19.074
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -15.219
tors. eta vs tors. theta energy: -20.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -196.839902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.839902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.839902 (E_RNA)
where:
Base-Base interactions energy: -124.926
where: short stacking energy: -64.890
Base-Backbone interact. energy: -0.170
local terms energy: -71.743492
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -15.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -188.291450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.291450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.291450 (E_RNA)
where:
Base-Base interactions energy: -115.190
where: short stacking energy: -58.348
Base-Backbone interact. energy: -0.003
local terms energy: -73.098873
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -18.416
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -17.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -153.037655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.037655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.037655 (E_RNA)
where:
Base-Base interactions energy: -87.968
where: short stacking energy: -42.869
Base-Backbone interact. energy: 1.777
local terms energy: -66.847055
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -18.274
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -6.586
tors. eta vs tors. theta energy: -8.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -105.814981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.814981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.814981 (E_RNA)
where:
Base-Base interactions energy: -47.251
where: short stacking energy: -40.743
Base-Backbone interact. energy: -0.041
local terms energy: -58.522909
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -11.885
flat angles P-C4'-P energy: -6.859
tors. eta vs tors. theta energy: -5.883
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: 3
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -184.385328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.385328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.385328 (E_RNA)
where:
Base-Base interactions energy: -116.387
where: short stacking energy: -51.212
Base-Backbone interact. energy: 1.158
local terms energy: -69.156403
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -13.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -82.437668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.437668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.437668 (E_RNA)
where:
Base-Base interactions energy: -31.740
where: short stacking energy: -29.988
Base-Backbone interact. energy: -0.035
local terms energy: -50.662843
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -14.738
flat angles C4'-P-C4' energy: -10.860
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -2.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -80.093849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.093849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.093849 (E_RNA)
where:
Base-Base interactions energy: -29.133
where: short stacking energy: -21.313
Base-Backbone interact. energy: 0.003
local terms energy: -50.963631
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -18.811
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: 2.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -240.759967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.759967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.759967 (E_RNA)
where:
Base-Base interactions energy: -159.158
where: short stacking energy: -68.371
Base-Backbone interact. energy: -0.263
local terms energy: -81.338461
where:
bonds (distance) C4'-P energy: -18.810
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -18.250
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -17.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -224.453193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.453193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.453193 (E_RNA)
where:
Base-Base interactions energy: -139.124
where: short stacking energy: -71.003
Base-Backbone interact. energy: -0.142
local terms energy: -85.186650
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -19.503
flat angles P-C4'-P energy: -14.732
tors. eta vs tors. theta energy: -16.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -233.352185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.352185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.352185 (E_RNA)
where:
Base-Base interactions energy: -149.258
where: short stacking energy: -76.694
Base-Backbone interact. energy: -0.136
local terms energy: -83.957834
where:
bonds (distance) C4'-P energy: -17.842
bonds (distance) P-C4' energy: -16.799
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -22.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -218.494475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.494475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.494475 (E_RNA)
where:
Base-Base interactions energy: -134.799
where: short stacking energy: -74.039
Base-Backbone interact. energy: -0.056
local terms energy: -83.640183
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -14.325
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: 5, replica: 9
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -190.217562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.217562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.217562 (E_RNA)
where:
Base-Base interactions energy: -120.107
where: short stacking energy: -68.137
Base-Backbone interact. energy: -0.002
local terms energy: -70.108994
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -18.233
flat angles C4'-P-C4' energy: -10.386
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -16.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -143.654277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.654277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.654277 (E_RNA)
where:
Base-Base interactions energy: -82.783
where: short stacking energy: -44.101
Base-Backbone interact. energy: -0.042
local terms energy: -60.828881
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -16.921
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -7.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -165.034870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.034870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.034870 (E_RNA)
where:
Base-Base interactions energy: -105.262
where: short stacking energy: -44.301
Base-Backbone interact. energy: 2.801
local terms energy: -62.574763
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -6.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -107.453618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.453618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.453618 (E_RNA)
where:
Base-Base interactions energy: -47.931
where: short stacking energy: -44.950
Base-Backbone interact. energy: -0.146
local terms energy: -59.376914
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -11.752
flat angles C4'-P-C4' energy: -18.570
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -6.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -88.726722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.726722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.726722 (E_RNA)
where:
Base-Base interactions energy: -36.228
where: short stacking energy: -28.601
Base-Backbone interact. energy: -0.806
local terms energy: -51.692887
where:
bonds (distance) C4'-P energy: -12.013
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -1.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -88.567935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.567935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.567935 (E_RNA)
where:
Base-Base interactions energy: -29.335
where: short stacking energy: -29.335
Base-Backbone interact. energy: -0.165
local terms energy: -59.067962
where:
bonds (distance) C4'-P energy: -17.366
bonds (distance) P-C4' energy: -18.181
flat angles C4'-P-C4' energy: -10.923
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -5.061
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: 1, replica: 6
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -250.805436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.805436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.805436 (E_RNA)
where:
Base-Base interactions energy: -164.609
where: short stacking energy: -78.629
Base-Backbone interact. energy: 0.547
local terms energy: -86.743492
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -17.194
flat angles C4'-P-C4' energy: -19.092
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -22.903
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: 2, replica: 10
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -228.135875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.135875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.135875 (E_RNA)
where:
Base-Base interactions energy: -140.906
where: short stacking energy: -62.196
Base-Backbone interact. energy: -0.217
local terms energy: -87.012288
where:
bonds (distance) C4'-P energy: -15.536
bonds (distance) P-C4' energy: -18.011
flat angles C4'-P-C4' energy: -17.699
flat angles P-C4'-P energy: -14.455
tors. eta vs tors. theta energy: -21.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -211.403042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.403042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.403042 (E_RNA)
where:
Base-Base interactions energy: -137.587
where: short stacking energy: -63.755
Base-Backbone interact. energy: -0.277
local terms energy: -73.538369
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -18.096
flat angles P-C4'-P energy: -12.654
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: 4, replica: 9
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -209.525887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.525887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.525887 (E_RNA)
where:
Base-Base interactions energy: -118.829
where: short stacking energy: -66.320
Base-Backbone interact. energy: 0.065
local terms energy: -90.762118
where:
bonds (distance) C4'-P energy: -18.735
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -17.421
flat angles P-C4'-P energy: -16.025
tors. eta vs tors. theta energy: -18.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -186.539150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.539150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.539150 (E_RNA)
where:
Base-Base interactions energy: -121.765
where: short stacking energy: -63.565
Base-Backbone interact. energy: -0.080
local terms energy: -64.693986
where:
bonds (distance) C4'-P energy: -10.319
bonds (distance) P-C4' energy: -14.944
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -6.899
tors. eta vs tors. theta energy: -16.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -171.621809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.621809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.621809 (E_RNA)
where:
Base-Base interactions energy: -104.978
where: short stacking energy: -41.679
Base-Backbone interact. energy: -0.450
local terms energy: -66.194023
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -19.477
flat angles C4'-P-C4' energy: -11.799
flat angles P-C4'-P energy: -13.167
tors. eta vs tors. theta energy: -9.093
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: 7, replica: 2
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -145.507763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.507763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.507763 (E_RNA)
where:
Base-Base interactions energy: -94.889
where: short stacking energy: -36.870
Base-Backbone interact. energy: -0.171
local terms energy: -50.448363
where:
bonds (distance) C4'-P energy: -15.683
bonds (distance) P-C4' energy: -13.570
flat angles C4'-P-C4' energy: -9.869
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: -3.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -102.249921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.249921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.249921 (E_RNA)
where:
Base-Base interactions energy: -43.899
where: short stacking energy: -41.363
Base-Backbone interact. energy: 0.075
local terms energy: -58.426090
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -10.703
flat angles P-C4'-P energy: -7.909
tors. eta vs tors. theta energy: -6.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -94.088428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.088428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.088428 (E_RNA)
where:
Base-Base interactions energy: -41.325
where: short stacking energy: -40.624
Base-Backbone interact. energy: 0.182
local terms energy: -52.945551
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -8.723
flat angles P-C4'-P energy: -7.210
tors. eta vs tors. theta energy: -4.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -88.029054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.029054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.029054 (E_RNA)
where:
Base-Base interactions energy: -31.232
where: short stacking energy: -27.750
Base-Backbone interact. energy: 2.089
local terms energy: -58.886269
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -3.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -248.238357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.238357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.238357 (E_RNA)
where:
Base-Base interactions energy: -158.250
where: short stacking energy: -67.595
Base-Backbone interact. energy: -0.936
local terms energy: -89.051957
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -16.055
tors. eta vs tors. theta energy: -22.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -217.127354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.127354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.127354 (E_RNA)
where:
Base-Base interactions energy: -138.002
where: short stacking energy: -66.937
Base-Backbone interact. energy: -0.112
local terms energy: -79.014026
where:
bonds (distance) C4'-P energy: -18.334
bonds (distance) P-C4' energy: -16.233
flat angles C4'-P-C4' energy: -17.848
flat angles P-C4'-P energy: -9.559
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: 3, replica: 8
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -208.183504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.183504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.183504 (E_RNA)
where:
Base-Base interactions energy: -127.414
where: short stacking energy: -59.780
Base-Backbone interact. energy: -0.575
local terms energy: -80.194357
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -19.671
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: -18.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -212.144053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.144053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.144053 (E_RNA)
where:
Base-Base interactions energy: -132.919
where: short stacking energy: -62.367
Base-Backbone interact. energy: -0.003
local terms energy: -79.221650
where:
bonds (distance) C4'-P energy: -20.383
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -20.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -200.636419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.636419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.636419 (E_RNA)
where:
Base-Base interactions energy: -119.296
where: short stacking energy: -63.770
Base-Backbone interact. energy: -0.114
local terms energy: -81.226245
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -17.227
flat angles P-C4'-P energy: -14.009
tors. eta vs tors. theta energy: -16.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -176.640145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.640145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.640145 (E_RNA)
where:
Base-Base interactions energy: -117.926
where: short stacking energy: -58.152
Base-Backbone interact. energy: -0.433
local terms energy: -58.281803
where:
bonds (distance) C4'-P energy: -10.216
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: -6.970
tors. eta vs tors. theta energy: -12.924
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: 422
Temperature: 1.200000
Total energy: -155.000014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.000014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.000014 (E_RNA)
where:
Base-Base interactions energy: -86.400
where: short stacking energy: -44.769
Base-Backbone interact. energy: -0.123
local terms energy: -68.476832
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -10.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -98.000430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.000430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.000430 (E_RNA)
where:
Base-Base interactions energy: -44.928
where: short stacking energy: -35.245
Base-Backbone interact. energy: -0.214
local terms energy: -52.858239
where:
bonds (distance) C4'-P energy: -11.893
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -7.228
tors. eta vs tors. theta energy: -4.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -115.569013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.569013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.569013 (E_RNA)
where:
Base-Base interactions energy: -48.564
where: short stacking energy: -33.085
Base-Backbone interact. energy: -0.106
local terms energy: -66.899123
where:
bonds (distance) C4'-P energy: -18.739
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -6.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -77.735161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.735161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.735161 (E_RNA)
where:
Base-Base interactions energy: -31.970
where: short stacking energy: -19.606
Base-Backbone interact. energy: -0.258
local terms energy: -45.507336
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -11.152
flat angles C4'-P-C4' energy: -10.648
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: 1.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -243.739455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.739455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.739455 (E_RNA)
where:
Base-Base interactions energy: -155.940
where: short stacking energy: -74.911
Base-Backbone interact. energy: -0.437
local terms energy: -87.363129
where:
bonds (distance) C4'-P energy: -16.931
bonds (distance) P-C4' energy: -19.429
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: -20.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -201.266620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.266620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.266620 (E_RNA)
where:
Base-Base interactions energy: -126.407
where: short stacking energy: -62.693
Base-Backbone interact. energy: -0.599
local terms energy: -74.260021
where:
bonds (distance) C4'-P energy: -9.455
bonds (distance) P-C4' energy: -18.565
flat angles C4'-P-C4' energy: -20.044
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -14.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -221.798113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.798113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.798113 (E_RNA)
where:
Base-Base interactions energy: -145.297
where: short stacking energy: -65.404
Base-Backbone interact. energy: -0.101
local terms energy: -76.399287
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -17.477
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -17.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -208.131909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.131909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.131909 (E_RNA)
where:
Base-Base interactions energy: -131.825
where: short stacking energy: -77.407
Base-Backbone interact. energy: -0.059
local terms energy: -76.247497
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -20.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -187.423179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.423179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.423179 (E_RNA)
where:
Base-Base interactions energy: -120.752
where: short stacking energy: -63.763
Base-Backbone interact. energy: -0.010
local terms energy: -66.661412
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -12.518
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -10.906
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: 6, replica: 2
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -148.054532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.054532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.054532 (E_RNA)
where:
Base-Base interactions energy: -84.839
where: short stacking energy: -47.925
Base-Backbone interact. energy: -0.406
local terms energy: -62.809167
where:
bonds (distance) C4'-P energy: -16.414
bonds (distance) P-C4' energy: -10.743
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -12.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -175.890630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.890630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.890630 (E_RNA)
where:
Base-Base interactions energy: -111.156
where: short stacking energy: -53.699
Base-Backbone interact. energy: -0.007
local terms energy: -64.727409
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -8.531
flat angles C4'-P-C4' energy: -19.174
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -15.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -96.222370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.222370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.222370 (E_RNA)
where:
Base-Base interactions energy: -31.712
where: short stacking energy: -31.712
Base-Backbone interact. energy: -0.141
local terms energy: -64.369489
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -19.715
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -8.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -85.421676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.421676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.421676 (E_RNA)
where:
Base-Base interactions energy: -33.416
where: short stacking energy: -33.416
Base-Backbone interact. energy: -0.573
local terms energy: -51.433154
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -11.739
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: -1.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -86.857124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.857124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.857124 (E_RNA)
where:
Base-Base interactions energy: -28.680
where: short stacking energy: -19.315
Base-Backbone interact. energy: -0.668
local terms energy: -57.509399
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -17.851
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -7.339
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: 1, replica: 8
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -216.877111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.877111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.877111 (E_RNA)
where:
Base-Base interactions energy: -125.637
where: short stacking energy: -76.852
Base-Backbone interact. energy: -0.005
local terms energy: -91.234714
where:
bonds (distance) C4'-P energy: -18.595
bonds (distance) P-C4' energy: -18.538
flat angles C4'-P-C4' energy: -18.052
flat angles P-C4'-P energy: -14.569
tors. eta vs tors. theta energy: -21.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -236.771898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.771898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.771898 (E_RNA)
where:
Base-Base interactions energy: -150.816
where: short stacking energy: -73.089
Base-Backbone interact. energy: -0.615
local terms energy: -85.341167
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -15.631
tors. eta vs tors. theta energy: -22.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -208.146929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.146929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.146929 (E_RNA)
where:
Base-Base interactions energy: -129.068
where: short stacking energy: -64.958
Base-Backbone interact. energy: -0.266
local terms energy: -78.812958
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -18.214
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -19.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -214.361629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.361629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.361629 (E_RNA)
where:
Base-Base interactions energy: -136.722
where: short stacking energy: -75.447
Base-Backbone interact. energy: -0.198
local terms energy: -77.441885
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -17.038
flat angles C4'-P-C4' energy: -18.562
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -18.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -194.080333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.080333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.080333 (E_RNA)
where:
Base-Base interactions energy: -122.249
where: short stacking energy: -53.730
Base-Backbone interact. energy: -0.110
local terms energy: -71.721499
where:
bonds (distance) C4'-P energy: -19.066
bonds (distance) P-C4' energy: -18.770
flat angles C4'-P-C4' energy: -9.661
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -12.208
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: 2
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -144.813232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.813232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.813232 (E_RNA)
where:
Base-Base interactions energy: -90.780
where: short stacking energy: -41.329
Base-Backbone interact. energy: -0.070
local terms energy: -53.962584
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -15.673
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: -1.455
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: 5
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -175.207698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.207698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.207698 (E_RNA)
where:
Base-Base interactions energy: -111.097
where: short stacking energy: -63.517
Base-Backbone interact. energy: -0.627
local terms energy: -63.483205
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -13.674
flat angles C4'-P-C4' energy: -12.645
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -14.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -93.119087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.119087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.119087 (E_RNA)
where:
Base-Base interactions energy: -35.508
where: short stacking energy: -35.508
Base-Backbone interact. energy: 0.107
local terms energy: -57.717609
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -6.305
tors. eta vs tors. theta energy: -4.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -85.783964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.783964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.783964 (E_RNA)
where:
Base-Base interactions energy: -29.700
where: short stacking energy: -17.908
Base-Backbone interact. energy: -0.298
local terms energy: -55.786067
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -20.616
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: 1.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -79.977376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.977376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.977376 (E_RNA)
where:
Base-Base interactions energy: -26.153
where: short stacking energy: -26.153
Base-Backbone interact. energy: -0.097
local terms energy: -53.727725
where:
bonds (distance) C4'-P energy: -15.358
bonds (distance) P-C4' energy: -18.397
flat angles C4'-P-C4' energy: -4.798
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -3.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -222.115593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.115593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.115593 (E_RNA)
where:
Base-Base interactions energy: -138.980
where: short stacking energy: -79.991
Base-Backbone interact. energy: -0.001
local terms energy: -83.134672
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -16.748
flat angles C4'-P-C4' energy: -19.800
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -25.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -235.370326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.370326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.370326 (E_RNA)
where:
Base-Base interactions energy: -146.202
where: short stacking energy: -68.971
Base-Backbone interact. energy: -0.620
local terms energy: -88.548096
where:
bonds (distance) C4'-P energy: -18.744
bonds (distance) P-C4' energy: -20.222
flat angles C4'-P-C4' energy: -20.158
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -19.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -211.187183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.187183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.187183 (E_RNA)
where:
Base-Base interactions energy: -138.862
where: short stacking energy: -66.568
Base-Backbone interact. energy: -0.056
local terms energy: -72.268267
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -5.931
tors. eta vs tors. theta energy: -16.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -204.662330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.662330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.662330 (E_RNA)
where:
Base-Base interactions energy: -123.188
where: short stacking energy: -62.979
Base-Backbone interact. energy: 0.393
local terms energy: -81.867527
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -13.057
tors. eta vs tors. theta energy: -18.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -208.452713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.452713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.452713 (E_RNA)
where:
Base-Base interactions energy: -122.964
where: short stacking energy: -73.455
Base-Backbone interact. energy: -0.004
local terms energy: -85.484916
where:
bonds (distance) C4'-P energy: -15.425
bonds (distance) P-C4' energy: -14.835
flat angles C4'-P-C4' energy: -18.796
flat angles P-C4'-P energy: -14.946
tors. eta vs tors. theta energy: -21.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -173.778188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.778188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.778188 (E_RNA)
where:
Base-Base interactions energy: -111.153
where: short stacking energy: -54.346
Base-Backbone interact. energy: 0.219
local terms energy: -62.844479
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -12.901
tors. eta vs tors. theta energy: -6.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -134.067879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.067879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.067879 (E_RNA)
where:
Base-Base interactions energy: -72.951
where: short stacking energy: -34.830
Base-Backbone interact. energy: -0.117
local terms energy: -61.000262
where:
bonds (distance) C4'-P energy: -18.015
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -11.358
flat angles P-C4'-P energy: -7.563
tors. eta vs tors. theta energy: -8.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -98.096328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.096328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.096328 (E_RNA)
where:
Base-Base interactions energy: -49.821
where: short stacking energy: -34.415
Base-Backbone interact. energy: -0.433
local terms energy: -47.842884
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -8.519
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -0.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -99.347176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.347176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.347176 (E_RNA)
where:
Base-Base interactions energy: -47.164
where: short stacking energy: -41.574
Base-Backbone interact. energy: -0.089
local terms energy: -52.094978
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -11.806
flat angles P-C4'-P energy: -4.517
tors. eta vs tors. theta energy: -6.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -83.803514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.803514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.803514 (E_RNA)
where:
Base-Base interactions energy: -33.094
where: short stacking energy: -33.094
Base-Backbone interact. energy: -0.500
local terms energy: -50.209679
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -11.454
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -2.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -238.886061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.886061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.886061 (E_RNA)
where:
Base-Base interactions energy: -162.724
where: short stacking energy: -71.704
Base-Backbone interact. energy: 0.228
local terms energy: -76.390110
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -20.048
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -16.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -227.198955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.198955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.198955 (E_RNA)
where:
Base-Base interactions energy: -146.434
where: short stacking energy: -81.875
Base-Backbone interact. energy: -0.087
local terms energy: -80.678632
where:
bonds (distance) C4'-P energy: -15.296
bonds (distance) P-C4' energy: -17.596
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -25.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -211.472033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.472033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.472033 (E_RNA)
where:
Base-Base interactions energy: -142.693
where: short stacking energy: -56.381
Base-Backbone interact. energy: -0.343
local terms energy: -68.435931
where:
bonds (distance) C4'-P energy: -19.344
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -17.912
flat angles P-C4'-P energy: -6.497
tors. eta vs tors. theta energy: -9.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -212.460630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.460630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.460630 (E_RNA)
where:
Base-Base interactions energy: -128.523
where: short stacking energy: -66.077
Base-Backbone interact. energy: -0.086
local terms energy: -83.851142
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -19.910
flat angles P-C4'-P energy: -15.141
tors. eta vs tors. theta energy: -16.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -207.726379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.726379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.726379 (E_RNA)
where:
Base-Base interactions energy: -125.974
where: short stacking energy: -72.010
Base-Backbone interact. energy: -0.697
local terms energy: -81.055391
where:
bonds (distance) C4'-P energy: -18.567
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -11.936
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: 426
Temperature: 1.150000
Total energy: -170.789103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.789103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.789103 (E_RNA)
where:
Base-Base interactions energy: -105.651
where: short stacking energy: -45.474
Base-Backbone interact. energy: -0.116
local terms energy: -65.022441
where:
bonds (distance) C4'-P energy: -17.811
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -8.093
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: 7, replica: 2
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -144.366794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.366794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.366794 (E_RNA)
where:
Base-Base interactions energy: -85.110
where: short stacking energy: -36.733
Base-Backbone interact. energy: -0.510
local terms energy: -58.747193
where:
bonds (distance) C4'-P energy: -15.379
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -4.998
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: 8, replica: 1
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -91.140649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.140649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.140649 (E_RNA)
where:
Base-Base interactions energy: -34.513
where: short stacking energy: -21.809
Base-Backbone interact. energy: 0.078
local terms energy: -56.705659
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -19.890
flat angles C4'-P-C4' energy: -11.372
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: 2.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -91.612031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.612031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.612031 (E_RNA)
where:
Base-Base interactions energy: -33.295
where: short stacking energy: -33.295
Base-Backbone interact. energy: -0.013
local terms energy: -58.304007
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -17.367
flat angles C4'-P-C4' energy: -7.916
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -8.979
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: 10, replica: 7
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -78.836648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.836648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.836648 (E_RNA)
where:
Base-Base interactions energy: -26.728
where: short stacking energy: -24.984
Base-Backbone interact. energy: -0.248
local terms energy: -51.860824
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -18.107
flat angles C4'-P-C4' energy: -9.873
flat angles P-C4'-P energy: -4.512
tors. eta vs tors. theta energy: -4.120
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: 6
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -243.973890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.973890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.973890 (E_RNA)
where:
Base-Base interactions energy: -160.318
where: short stacking energy: -75.460
Base-Backbone interact. energy: 0.264
local terms energy: -83.919077
where:
bonds (distance) C4'-P energy: -19.220
bonds (distance) P-C4' energy: -13.956
flat angles C4'-P-C4' energy: -17.957
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -22.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -237.836081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.836081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.836081 (E_RNA)
where:
Base-Base interactions energy: -157.586
where: short stacking energy: -60.127
Base-Backbone interact. energy: -0.737
local terms energy: -79.513122
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -19.502
flat angles C4'-P-C4' energy: -18.749
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -16.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -201.024767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.024767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.024767 (E_RNA)
where:
Base-Base interactions energy: -116.745
where: short stacking energy: -54.637
Base-Backbone interact. energy: -0.101
local terms energy: -84.178599
where:
bonds (distance) C4'-P energy: -19.708
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -17.977
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -18.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -209.169024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.169024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.169024 (E_RNA)
where:
Base-Base interactions energy: -127.965
where: short stacking energy: -73.541
Base-Backbone interact. energy: 1.233
local terms energy: -82.437626
where:
bonds (distance) C4'-P energy: -19.680
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -11.280
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: 5, replica: 9
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -201.033857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.033857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.033857 (E_RNA)
where:
Base-Base interactions energy: -127.104
where: short stacking energy: -61.519
Base-Backbone interact. energy: -0.003
local terms energy: -73.926915
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -15.098
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -13.357
tors. eta vs tors. theta energy: -16.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -156.463949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.463949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.463949 (E_RNA)
where:
Base-Base interactions energy: -90.462
where: short stacking energy: -37.642
Base-Backbone interact. energy: -0.705
local terms energy: -65.296566
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -18.970
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -3.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -204.010168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.010168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.010168 (E_RNA)
where:
Base-Base interactions energy: -123.056
where: short stacking energy: -70.347
Base-Backbone interact. energy: -0.000
local terms energy: -80.954123
where:
bonds (distance) C4'-P energy: -17.420
bonds (distance) P-C4' energy: -20.094
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -9.716
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: 8, replica: 4
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -98.292162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.292162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.292162 (E_RNA)
where:
Base-Base interactions energy: -38.827
where: short stacking energy: -38.827
Base-Backbone interact. energy: 0.269
local terms energy: -59.733969
where:
bonds (distance) C4'-P energy: -15.358
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -6.569
tors. eta vs tors. theta energy: -3.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -89.879748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.879748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.879748 (E_RNA)
where:
Base-Base interactions energy: -27.631
where: short stacking energy: -27.631
Base-Backbone interact. energy: -0.272
local terms energy: -61.976562
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -5.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -80.850746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.850746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.850746 (E_RNA)
where:
Base-Base interactions energy: -26.439
where: short stacking energy: -19.113
Base-Backbone interact. energy: -0.429
local terms energy: -53.982842
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -18.033
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: 2.277
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: 428
Temperature: 0.900000
Total energy: -233.395386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.395386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.395386 (E_RNA)
where:
Base-Base interactions energy: -146.374
where: short stacking energy: -64.483
Base-Backbone interact. energy: -1.808
local terms energy: -85.213097
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -19.250
flat angles C4'-P-C4' energy: -19.541
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: -18.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -248.141384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.141384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.141384 (E_RNA)
where:
Base-Base interactions energy: -163.957
where: short stacking energy: -72.259
Base-Backbone interact. energy: -0.893
local terms energy: -83.291046
where:
bonds (distance) C4'-P energy: -17.474
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -19.010
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -17.248
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: 3
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -215.054829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.054829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.054829 (E_RNA)
where:
Base-Base interactions energy: -140.749
where: short stacking energy: -73.741
Base-Backbone interact. energy: -0.111
local terms energy: -74.195104
where:
bonds (distance) C4'-P energy: -17.567
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -9.492
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: -19.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -179.920083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.920083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.920083 (E_RNA)
where:
Base-Base interactions energy: -100.703
where: short stacking energy: -54.735
Base-Backbone interact. energy: -0.003
local terms energy: -79.214078
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -14.698
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: 9
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -193.652872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.652872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.652872 (E_RNA)
where:
Base-Base interactions energy: -123.708
where: short stacking energy: -61.841
Base-Backbone interact. energy: 1.427
local terms energy: -71.371883
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -13.350
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -12.299
tors. eta vs tors. theta energy: -16.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -156.875581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.875581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.875581 (E_RNA)
where:
Base-Base interactions energy: -101.283
where: short stacking energy: -53.744
Base-Backbone interact. energy: -0.342
local terms energy: -55.250851
where:
bonds (distance) C4'-P energy: -10.355
bonds (distance) P-C4' energy: -18.503
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -6.374
tors. eta vs tors. theta energy: -5.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -180.171484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.171484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.171484 (E_RNA)
where:
Base-Base interactions energy: -102.663
where: short stacking energy: -56.986
Base-Backbone interact. energy: -0.162
local terms energy: -77.346691
where:
bonds (distance) C4'-P energy: -19.266
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -11.594
flat angles P-C4'-P energy: -14.232
tors. eta vs tors. theta energy: -17.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -92.663993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.663993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.663993 (E_RNA)
where:
Base-Base interactions energy: -30.227
where: short stacking energy: -30.621
Base-Backbone interact. energy: -0.128
local terms energy: -62.308920
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -18.730
flat angles C4'-P-C4' energy: -10.765
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: -5.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -98.300974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.300974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.300974 (E_RNA)
where:
Base-Base interactions energy: -41.524
where: short stacking energy: -37.722
Base-Backbone interact. energy: -0.192
local terms energy: -56.584950
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -1.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -86.140967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.140967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.140967 (E_RNA)
where:
Base-Base interactions energy: -39.449
where: short stacking energy: -24.987
Base-Backbone interact. energy: 0.841
local terms energy: -47.532265
where:
bonds (distance) C4'-P energy: -7.136
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -8.678
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -2.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -237.447366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.447366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.447366 (E_RNA)
where:
Base-Base interactions energy: -155.369
where: short stacking energy: -74.157
Base-Backbone interact. energy: -0.563
local terms energy: -81.515134
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -23.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -213.772656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.772656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.772656 (E_RNA)
where:
Base-Base interactions energy: -135.027
where: short stacking energy: -65.031
Base-Backbone interact. energy: -0.165
local terms energy: -78.580594
where:
bonds (distance) C4'-P energy: -17.162
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -17.825
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -16.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -237.869371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.869371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.869371 (E_RNA)
where:
Base-Base interactions energy: -159.162
where: short stacking energy: -70.399
Base-Backbone interact. energy: 1.118
local terms energy: -79.824476
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -16.261
flat angles C4'-P-C4' energy: -18.519
flat angles P-C4'-P energy: -10.780
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: 4, replica: 8
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -195.574565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.574565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.574565 (E_RNA)
where:
Base-Base interactions energy: -120.738
where: short stacking energy: -65.287
Base-Backbone interact. energy: -0.001
local terms energy: -74.836030
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -20.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -189.283183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.283183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.283183 (E_RNA)
where:
Base-Base interactions energy: -111.576
where: short stacking energy: -53.128
Base-Backbone interact. energy: -0.099
local terms energy: -77.607578
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -17.850
flat angles C4'-P-C4' energy: -18.858
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -14.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -187.930931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.930931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.930931 (E_RNA)
where:
Base-Base interactions energy: -115.498
where: short stacking energy: -55.692
Base-Backbone interact. energy: -0.387
local terms energy: -72.046224
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -17.458
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -15.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -182.981352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.981352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.981352 (E_RNA)
where:
Base-Base interactions energy: -117.937
where: short stacking energy: -57.907
Base-Backbone interact. energy: -0.314
local terms energy: -64.729800
where:
bonds (distance) C4'-P energy: -10.195
bonds (distance) P-C4' energy: -17.816
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -15.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -99.700704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.700704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.700704 (E_RNA)
where:
Base-Base interactions energy: -39.662
where: short stacking energy: -39.662
Base-Backbone interact. energy: -0.054
local terms energy: -59.984349
where:
bonds (distance) C4'-P energy: -15.985
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -7.942
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -9.446
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: 4
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -89.454417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.454417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.454417 (E_RNA)
where:
Base-Base interactions energy: -28.864
where: short stacking energy: -28.864
Base-Backbone interact. energy: -0.104
local terms energy: -60.486160
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -18.470
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -3.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -97.619028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.619028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.619028 (E_RNA)
where:
Base-Base interactions energy: -43.467
where: short stacking energy: -22.376
Base-Backbone interact. energy: -0.324
local terms energy: -53.828009
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -15.803
flat angles C4'-P-C4' energy: -12.359
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -0.799
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: 1, replica: 3
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -236.493839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.493839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.493839 (E_RNA)
where:
Base-Base interactions energy: -154.426
where: short stacking energy: -78.001
Base-Backbone interact. energy: 0.472
local terms energy: -82.539719
where:
bonds (distance) C4'-P energy: -16.364
bonds (distance) P-C4' energy: -19.493
flat angles C4'-P-C4' energy: -18.245
flat angles P-C4'-P energy: -13.752
tors. eta vs tors. theta energy: -14.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -241.238367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.238367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.238367 (E_RNA)
where:
Base-Base interactions energy: -157.851
where: short stacking energy: -77.972
Base-Backbone interact. energy: -0.328
local terms energy: -83.058986
where:
bonds (distance) C4'-P energy: -18.189
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -18.068
flat angles P-C4'-P energy: -8.631
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: 10
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -216.834810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.834810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.834810 (E_RNA)
where:
Base-Base interactions energy: -141.936
where: short stacking energy: -62.299
Base-Backbone interact. energy: -0.081
local terms energy: -74.817594
where:
bonds (distance) C4'-P energy: -16.872
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -11.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -176.747271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.747271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.747271 (E_RNA)
where:
Base-Base interactions energy: -109.550
where: short stacking energy: -58.525
Base-Backbone interact. energy: -0.066
local terms energy: -67.131507
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -17.903
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -9.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -196.394607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.394607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.394607 (E_RNA)
where:
Base-Base interactions energy: -130.933
where: short stacking energy: -60.111
Base-Backbone interact. energy: -0.111
local terms energy: -65.350913
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -5.248
tors. eta vs tors. theta energy: -16.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -174.047959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.047959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.047959 (E_RNA)
where:
Base-Base interactions energy: -103.184
where: short stacking energy: -56.692
Base-Backbone interact. energy: 3.558
local terms energy: -74.422282
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -12.703
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -14.572
tors. eta vs tors. theta energy: -16.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -172.621527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.621527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.621527 (E_RNA)
where:
Base-Base interactions energy: -103.702
where: short stacking energy: -49.017
Base-Backbone interact. energy: -0.215
local terms energy: -68.704128
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -10.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -108.941025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.941025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.941025 (E_RNA)
where:
Base-Base interactions energy: -51.800
where: short stacking energy: -40.848
Base-Backbone interact. energy: -0.142
local terms energy: -56.999241
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -10.153
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -5.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -106.081246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.081246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.081246 (E_RNA)
where:
Base-Base interactions energy: -46.554
where: short stacking energy: -31.398
Base-Backbone interact. energy: 0.173
local terms energy: -59.700062
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -6.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -83.689776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.689776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.689776 (E_RNA)
where:
Base-Base interactions energy: -28.187
where: short stacking energy: -25.132
Base-Backbone interact. energy: -0.420
local terms energy: -55.082331
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -12.441
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: 3
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -239.920823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.920823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.920823 (E_RNA)
where:
Base-Base interactions energy: -158.005
where: short stacking energy: -73.811
Base-Backbone interact. energy: 0.007
local terms energy: -81.923349
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -18.680
flat angles P-C4'-P energy: -10.066
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: 2, replica: 6
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -240.395165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.395165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.395165 (E_RNA)
where:
Base-Base interactions energy: -152.517
where: short stacking energy: -73.493
Base-Backbone interact. energy: -0.351
local terms energy: -87.527547
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -17.941
flat angles P-C4'-P energy: -13.656
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: 3, replica: 10
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -230.441986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.441986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.441986 (E_RNA)
where:
Base-Base interactions energy: -150.937
where: short stacking energy: -75.843
Base-Backbone interact. energy: -0.155
local terms energy: -79.349571
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -12.818
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: 4, replica: 8
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -191.494596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.494596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.494596 (E_RNA)
where:
Base-Base interactions energy: -111.392
where: short stacking energy: -76.474
Base-Backbone interact. energy: -0.007
local terms energy: -80.095585
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -14.696
tors. eta vs tors. theta energy: -19.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -184.360790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.360790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.360790 (E_RNA)
where:
Base-Base interactions energy: -116.952
where: short stacking energy: -49.339
Base-Backbone interact. energy: -0.129
local terms energy: -67.279864
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -17.706
flat angles P-C4'-P energy: -7.449
tors. eta vs tors. theta energy: -13.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -191.078227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.078227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.078227 (E_RNA)
where:
Base-Base interactions energy: -117.495
where: short stacking energy: -56.702
Base-Backbone interact. energy: -0.208
local terms energy: -73.375516
where:
bonds (distance) C4'-P energy: -18.624
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -12.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -154.025890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.025890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.025890 (E_RNA)
where:
Base-Base interactions energy: -87.567
where: short stacking energy: -42.533
Base-Backbone interact. energy: -0.448
local terms energy: -66.010845
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -19.196
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -6.815
tors. eta vs tors. theta energy: -13.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -110.957429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.957429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.957429 (E_RNA)
where:
Base-Base interactions energy: -53.714
where: short stacking energy: -40.616
Base-Backbone interact. energy: -0.004
local terms energy: -57.238701
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -12.185
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -6.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -99.578044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.578044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.578044 (E_RNA)
where:
Base-Base interactions energy: -45.150
where: short stacking energy: -43.658
Base-Backbone interact. energy: 0.224
local terms energy: -54.651891
where:
bonds (distance) C4'-P energy: -12.441
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -6.153
tors. eta vs tors. theta energy: -9.567
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: 4
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -92.383997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.383997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.383997 (E_RNA)
where:
Base-Base interactions energy: -27.855
where: short stacking energy: -27.855
Base-Backbone interact. energy: -0.272
local terms energy: -64.256768
where:
bonds (distance) C4'-P energy: -17.540
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -4.971
tors. eta vs tors. theta energy: -9.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -245.734603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.734603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.734603 (E_RNA)
where:
Base-Base interactions energy: -156.273
where: short stacking energy: -73.162
Base-Backbone interact. energy: 0.176
local terms energy: -89.637969
where:
bonds (distance) C4'-P energy: -16.045
bonds (distance) P-C4' energy: -21.082
flat angles C4'-P-C4' energy: -18.052
flat angles P-C4'-P energy: -14.202
tors. eta vs tors. theta energy: -20.258
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: 2, replica: 3
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -226.526439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.526439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.526439 (E_RNA)
where:
Base-Base interactions energy: -150.536
where: short stacking energy: -68.240
Base-Backbone interact. energy: 0.073
local terms energy: -76.063135
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -17.786
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -15.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -223.699237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.699237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.699237 (E_RNA)
where:
Base-Base interactions energy: -150.054
where: short stacking energy: -69.710
Base-Backbone interact. energy: -0.117
local terms energy: -73.527857
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -15.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -202.404977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.404977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.404977 (E_RNA)
where:
Base-Base interactions energy: -126.257
where: short stacking energy: -59.787
Base-Backbone interact. energy: -0.153
local terms energy: -75.995512
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -18.243
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -16.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -162.161689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.161689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.161689 (E_RNA)
where:
Base-Base interactions energy: -99.284
where: short stacking energy: -46.215
Base-Backbone interact. energy: 0.689
local terms energy: -63.565969
where:
bonds (distance) C4'-P energy: -16.608
bonds (distance) P-C4' energy: -16.760
flat angles C4'-P-C4' energy: -12.027
flat angles P-C4'-P energy: -9.884
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: 6, replica: 5
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -178.413884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.413884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.413884 (E_RNA)
where:
Base-Base interactions energy: -106.025
where: short stacking energy: -50.650
Base-Backbone interact. energy: -0.516
local terms energy: -71.872681
where:
bonds (distance) C4'-P energy: -16.389
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -13.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -103.386337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.386337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.386337 (E_RNA)
where:
Base-Base interactions energy: -45.001
where: short stacking energy: -34.282
Base-Backbone interact. energy: 0.037
local terms energy: -58.422083
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -2.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -135.218785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.218785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.218785 (E_RNA)
where:
Base-Base interactions energy: -86.190
where: short stacking energy: -36.498
Base-Backbone interact. energy: 0.311
local terms energy: -49.339396
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -18.269
flat angles C4'-P-C4' energy: -10.115
flat angles P-C4'-P energy: -3.571
tors. eta vs tors. theta energy: -1.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -103.166091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.166091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.166091 (E_RNA)
where:
Base-Base interactions energy: -41.890
where: short stacking energy: -37.930
Base-Backbone interact. energy: -0.109
local terms energy: -61.166990
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -8.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -89.443816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.443816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.443816 (E_RNA)
where:
Base-Base interactions energy: -37.346
where: short stacking energy: -23.917
Base-Backbone interact. energy: -0.405
local terms energy: -51.693327
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -18.427
flat angles P-C4'-P energy: -5.459
tors. eta vs tors. theta energy: 0.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -237.776303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.776303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.776303 (E_RNA)
where:
Base-Base interactions energy: -149.301
where: short stacking energy: -68.485
Base-Backbone interact. energy: -0.079
local terms energy: -88.396819
where:
bonds (distance) C4'-P energy: -18.272
bonds (distance) P-C4' energy: -18.643
flat angles C4'-P-C4' energy: -18.960
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -20.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -229.748583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.748583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.748583 (E_RNA)
where:
Base-Base interactions energy: -153.412
where: short stacking energy: -75.435
Base-Backbone interact. energy: 0.927
local terms energy: -77.263270
where:
bonds (distance) C4'-P energy: -17.267
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -18.100
flat angles P-C4'-P energy: -6.543
tors. eta vs tors. theta energy: -18.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -228.981527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.981527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.981527 (E_RNA)
where:
Base-Base interactions energy: -145.228
where: short stacking energy: -65.143
Base-Backbone interact. energy: -0.216
local terms energy: -83.537778
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -19.972
flat angles C4'-P-C4' energy: -17.419
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -14.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -202.269980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.269980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.269980 (E_RNA)
where:
Base-Base interactions energy: -125.535
where: short stacking energy: -63.432
Base-Backbone interact. energy: -0.027
local terms energy: -76.707682
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -18.589
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -16.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -178.345501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.345501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.345501 (E_RNA)
where:
Base-Base interactions energy: -103.278
where: short stacking energy: -54.586
Base-Backbone interact. energy: -0.282
local terms energy: -74.785139
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: -14.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -175.453650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.453650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.453650 (E_RNA)
where:
Base-Base interactions energy: -103.932
where: short stacking energy: -56.534
Base-Backbone interact. energy: -0.059
local terms energy: -71.462662
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -18.645
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: -11.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -93.412260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.412260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.412260 (E_RNA)
where:
Base-Base interactions energy: -38.079
where: short stacking energy: -27.286
Base-Backbone interact. energy: -0.269
local terms energy: -55.063855
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -12.190
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -3.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -120.709111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.709111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.709111 (E_RNA)
where:
Base-Base interactions energy: -64.876
where: short stacking energy: -35.521
Base-Backbone interact. energy: -0.441
local terms energy: -55.391399
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -6.764
tors. eta vs tors. theta energy: -5.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -113.679408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.679408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.679408 (E_RNA)
where:
Base-Base interactions energy: -48.364
where: short stacking energy: -36.979
Base-Backbone interact. energy: 0.180
local terms energy: -65.495593
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -9.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -93.610656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.610656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.610656 (E_RNA)
where:
Base-Base interactions energy: -41.332
where: short stacking energy: -30.952
Base-Backbone interact. energy: -0.434
local terms energy: -51.845030
where:
bonds (distance) C4'-P energy: -16.282
bonds (distance) P-C4' energy: -12.670
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -5.701
tors. eta vs tors. theta energy: -1.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -243.425574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.425574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.425574 (E_RNA)
where:
Base-Base interactions energy: -152.870
where: short stacking energy: -73.622
Base-Backbone interact. energy: -0.335
local terms energy: -90.220669
where:
bonds (distance) C4'-P energy: -19.422
bonds (distance) P-C4' energy: -17.861
flat angles C4'-P-C4' energy: -20.710
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -21.362
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: 3
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -227.861624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.861624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.861624 (E_RNA)
where:
Base-Base interactions energy: -141.015
where: short stacking energy: -81.315
Base-Backbone interact. energy: -0.265
local terms energy: -86.581764
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -20.303
flat angles P-C4'-P energy: -15.067
tors. eta vs tors. theta energy: -24.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -223.443981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.443981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.443981 (E_RNA)
where:
Base-Base interactions energy: -143.952
where: short stacking energy: -67.699
Base-Backbone interact. energy: -0.102
local terms energy: -79.389925
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -18.006
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -19.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -198.240573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.240573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.240573 (E_RNA)
where:
Base-Base interactions energy: -120.666
where: short stacking energy: -63.164
Base-Backbone interact. energy: -0.802
local terms energy: -76.772070
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -14.798
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -20.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -174.568347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.568347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.568347 (E_RNA)
where:
Base-Base interactions energy: -102.031
where: short stacking energy: -64.469
Base-Backbone interact. energy: -0.542
local terms energy: -71.995383
where:
bonds (distance) C4'-P energy: -8.733
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -14.265
tors. eta vs tors. theta energy: -18.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -179.811414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.811414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.811414 (E_RNA)
where:
Base-Base interactions energy: -114.770
where: short stacking energy: -56.232
Base-Backbone interact. energy: -0.273
local terms energy: -64.767921
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -9.347
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: -16.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -101.939291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.939291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.939291 (E_RNA)
where:
Base-Base interactions energy: -40.943
where: short stacking energy: -40.943
Base-Backbone interact. energy: -0.431
local terms energy: -60.566155
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -7.232
tors. eta vs tors. theta energy: -10.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -100.116214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.116214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.116214 (E_RNA)
where:
Base-Base interactions energy: -38.797
where: short stacking energy: -38.797
Base-Backbone interact. energy: -0.157
local terms energy: -61.162245
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -17.568
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -5.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -95.294765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.294765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.294765 (E_RNA)
where:
Base-Base interactions energy: -39.748
where: short stacking energy: -30.599
Base-Backbone interact. energy: -0.787
local terms energy: -54.760151
where:
bonds (distance) C4'-P energy: -18.393
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -10.864
flat angles P-C4'-P energy: -5.275
tors. eta vs tors. theta energy: -4.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -92.653329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.653329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.653329 (E_RNA)
where:
Base-Base interactions energy: -33.846
where: short stacking energy: -33.846
Base-Backbone interact. energy: -0.080
local terms energy: -58.727774
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -5.323
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -8.807
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: 435
Temperature: 0.900000
Total energy: -246.919409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.919409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.919409 (E_RNA)
where:
Base-Base interactions energy: -166.095
where: short stacking energy: -75.570
Base-Backbone interact. energy: -0.155
local terms energy: -80.669868
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -17.871
flat angles C4'-P-C4' energy: -17.966
flat angles P-C4'-P energy: -10.298
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: 2, replica: 10
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -216.451747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.451747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.451747 (E_RNA)
where:
Base-Base interactions energy: -134.107
where: short stacking energy: -64.761
Base-Backbone interact. energy: -0.400
local terms energy: -81.944975
where:
bonds (distance) C4'-P energy: -18.885
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -18.671
flat angles P-C4'-P energy: -13.216
tors. eta vs tors. theta energy: -14.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -216.377042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.377042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.377042 (E_RNA)
where:
Base-Base interactions energy: -142.232
where: short stacking energy: -66.395
Base-Backbone interact. energy: -0.149
local terms energy: -73.996758
where:
bonds (distance) C4'-P energy: -17.941
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -19.713
flat angles P-C4'-P energy: -6.662
tors. eta vs tors. theta energy: -15.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -178.205071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.205071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.205071 (E_RNA)
where:
Base-Base interactions energy: -104.779
where: short stacking energy: -57.093
Base-Backbone interact. energy: -0.246
local terms energy: -73.180014
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -15.302
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -15.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -194.030092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.030092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.030092 (E_RNA)
where:
Base-Base interactions energy: -116.980
where: short stacking energy: -58.444
Base-Backbone interact. energy: -0.005
local terms energy: -77.045046
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -18.083
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -9.860
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: 6, replica: 9
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -179.855460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.855460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.855460 (E_RNA)
where:
Base-Base interactions energy: -108.907
where: short stacking energy: -52.454
Base-Backbone interact. energy: -0.242
local terms energy: -70.706295
where:
bonds (distance) C4'-P energy: -12.519
bonds (distance) P-C4' energy: -19.051
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -13.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -104.818087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.818087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.818087 (E_RNA)
where:
Base-Base interactions energy: -51.894
where: short stacking energy: -33.390
Base-Backbone interact. energy: -1.211
local terms energy: -51.713026
where:
bonds (distance) C4'-P energy: -17.927
bonds (distance) P-C4' energy: -10.744
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -5.707
tors. eta vs tors. theta energy: -3.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -88.040742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.040742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.040742 (E_RNA)
where:
Base-Base interactions energy: -29.813
where: short stacking energy: -29.506
Base-Backbone interact. energy: -0.472
local terms energy: -57.755645
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -15.387
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -5.667
tors. eta vs tors. theta energy: -5.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -109.219927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.219927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.219927 (E_RNA)
where:
Base-Base interactions energy: -58.689
where: short stacking energy: -40.617
Base-Backbone interact. energy: -0.054
local terms energy: -50.476781
where:
bonds (distance) C4'-P energy: -19.253
bonds (distance) P-C4' energy: -12.808
flat angles C4'-P-C4' energy: -9.785
flat angles P-C4'-P energy: -6.036
tors. eta vs tors. theta energy: -2.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -84.426481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.426481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.426481 (E_RNA)
where:
Base-Base interactions energy: -33.468
where: short stacking energy: -29.519
Base-Backbone interact. energy: -0.317
local terms energy: -50.641391
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -9.433
flat angles C4'-P-C4' energy: -17.227
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -1.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -252.200635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.200635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.200635 (E_RNA)
where:
Base-Base interactions energy: -158.290
where: short stacking energy: -71.650
Base-Backbone interact. energy: -0.089
local terms energy: -93.822226
where:
bonds (distance) C4'-P energy: -18.810
bonds (distance) P-C4' energy: -19.622
flat angles C4'-P-C4' energy: -19.769
flat angles P-C4'-P energy: -14.955
tors. eta vs tors. theta energy: -20.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -219.242667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.242667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.242667 (E_RNA)
where:
Base-Base interactions energy: -142.923
where: short stacking energy: -68.305
Base-Backbone interact. energy: -0.450
local terms energy: -75.869336
where:
bonds (distance) C4'-P energy: -19.237
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -17.883
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -16.135
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: 5
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -204.292940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.292940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.292940 (E_RNA)
where:
Base-Base interactions energy: -127.274
where: short stacking energy: -64.996
Base-Backbone interact. energy: 0.510
local terms energy: -77.528954
where:
bonds (distance) C4'-P energy: -16.409
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -12.129
tors. eta vs tors. theta energy: -16.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -198.673175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.673175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.673175 (E_RNA)
where:
Base-Base interactions energy: -127.825
where: short stacking energy: -55.680
Base-Backbone interact. energy: -0.215
local terms energy: -70.633219
where:
bonds (distance) C4'-P energy: -17.185
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -10.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -187.302739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.302739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.302739 (E_RNA)
where:
Base-Base interactions energy: -114.028
where: short stacking energy: -55.294
Base-Backbone interact. energy: -0.408
local terms energy: -72.866149
where:
bonds (distance) C4'-P energy: -19.365
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -18.090
flat angles P-C4'-P energy: -8.401
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: 6, replica: 8
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -190.639987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.639987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.639987 (E_RNA)
where:
Base-Base interactions energy: -115.901
where: short stacking energy: -57.346
Base-Backbone interact. energy: -0.108
local terms energy: -74.630945
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -14.223
tors. eta vs tors. theta energy: -16.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -100.846974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.846974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.846974 (E_RNA)
where:
Base-Base interactions energy: -30.262
where: short stacking energy: -30.262
Base-Backbone interact. energy: -0.188
local terms energy: -70.396730
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -6.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -107.069462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.069462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.069462 (E_RNA)
where:
Base-Base interactions energy: -48.593
where: short stacking energy: -41.249
Base-Backbone interact. energy: -0.098
local terms energy: -58.377991
where:
bonds (distance) C4'-P energy: -8.500
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -19.212
flat angles P-C4'-P energy: -7.701
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: 9, replica: 4
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -93.709332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.709332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.709332 (E_RNA)
where:
Base-Base interactions energy: -35.377
where: short stacking energy: -34.599
Base-Backbone interact. energy: 0.631
local terms energy: -58.963936
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -18.259
flat angles P-C4'-P energy: -6.804
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: 1
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -84.107147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.107147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.107147 (E_RNA)
where:
Base-Base interactions energy: -26.656
where: short stacking energy: -24.744
Base-Backbone interact. energy: -0.110
local terms energy: -57.341029
where:
bonds (distance) C4'-P energy: -16.270
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -0.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -241.325678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.325678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.325678 (E_RNA)
where:
Base-Base interactions energy: -154.038
where: short stacking energy: -68.246
Base-Backbone interact. energy: -0.469
local terms energy: -86.818190
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -19.246
flat angles C4'-P-C4' energy: -19.621
flat angles P-C4'-P energy: -8.164
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: 2, replica: 5
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -206.458866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.458866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.458866 (E_RNA)
where:
Base-Base interactions energy: -124.378
where: short stacking energy: -72.618
Base-Backbone interact. energy: -0.036
local terms energy: -82.044928
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -11.080
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: 3, replica: 10
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -209.895547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.895547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.895547 (E_RNA)
where:
Base-Base interactions energy: -136.047
where: short stacking energy: -64.085
Base-Backbone interact. energy: -0.183
local terms energy: -73.665295
where:
bonds (distance) C4'-P energy: -14.249
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -18.191
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -11.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -198.123341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.123341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.123341 (E_RNA)
where:
Base-Base interactions energy: -130.112
where: short stacking energy: -53.709
Base-Backbone interact. energy: -0.021
local terms energy: -67.990300
where:
bonds (distance) C4'-P energy: -18.678
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -9.790
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: 5, replica: 3
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -210.384279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.384279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.384279 (E_RNA)
where:
Base-Base interactions energy: -133.999
where: short stacking energy: -79.929
Base-Backbone interact. energy: -0.049
local terms energy: -76.336976
where:
bonds (distance) C4'-P energy: -10.076
bonds (distance) P-C4' energy: -14.189
flat angles C4'-P-C4' energy: -19.302
flat angles P-C4'-P energy: -7.607
tors. eta vs tors. theta energy: -25.164
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: 8
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -177.061478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.061478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.061478 (E_RNA)
where:
Base-Base interactions energy: -114.422
where: short stacking energy: -45.423
Base-Backbone interact. energy: -0.188
local terms energy: -62.452336
where:
bonds (distance) C4'-P energy: -15.922
bonds (distance) P-C4' energy: -18.703
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -4.522
tors. eta vs tors. theta energy: -8.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -109.034409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.034409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.034409 (E_RNA)
where:
Base-Base interactions energy: -45.898
where: short stacking energy: -29.522
Base-Backbone interact. energy: -0.009
local terms energy: -63.127588
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -6.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -101.248463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.248463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.248463 (E_RNA)
where:
Base-Base interactions energy: -44.761
where: short stacking energy: -37.499
Base-Backbone interact. energy: -0.053
local terms energy: -56.434865
where:
bonds (distance) C4'-P energy: -17.055
bonds (distance) P-C4' energy: -15.940
flat angles C4'-P-C4' energy: -10.411
flat angles P-C4'-P energy: -7.157
tors. eta vs tors. theta energy: -5.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -93.570641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.570641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.570641 (E_RNA)
where:
Base-Base interactions energy: -33.314
where: short stacking energy: -25.421
Base-Backbone interact. energy: -0.270
local terms energy: -59.987354
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -18.933
flat angles C4'-P-C4' energy: -18.269
flat angles P-C4'-P energy: -4.623
tors. eta vs tors. theta energy: -1.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -91.138534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.138534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.138534 (E_RNA)
where:
Base-Base interactions energy: -35.325
where: short stacking energy: -35.325
Base-Backbone interact. energy: -0.003
local terms energy: -55.810890
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -19.074
flat angles C4'-P-C4' energy: -10.360
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -3.695
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: 6
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -241.323462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.323462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.323462 (E_RNA)
where:
Base-Base interactions energy: -150.386
where: short stacking energy: -73.515
Base-Backbone interact. energy: 0.947
local terms energy: -91.885002
where:
bonds (distance) C4'-P energy: -18.073
bonds (distance) P-C4' energy: -19.271
flat angles C4'-P-C4' energy: -18.842
flat angles P-C4'-P energy: -15.408
tors. eta vs tors. theta energy: -20.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -203.768934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.768934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.768934 (E_RNA)
where:
Base-Base interactions energy: -123.188
where: short stacking energy: -65.980
Base-Backbone interact. energy: -0.008
local terms energy: -80.573376
where:
bonds (distance) C4'-P energy: -10.281
bonds (distance) P-C4' energy: -18.567
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -15.759
tors. eta vs tors. theta energy: -19.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -204.548134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.548134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.548134 (E_RNA)
where:
Base-Base interactions energy: -124.813
where: short stacking energy: -68.305
Base-Backbone interact. energy: -0.102
local terms energy: -79.633078
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -16.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -199.110367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.110367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.110367 (E_RNA)
where:
Base-Base interactions energy: -129.683
where: short stacking energy: -66.765
Base-Backbone interact. energy: -0.006
local terms energy: -69.421383
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: -19.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -195.312452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.312452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.312452 (E_RNA)
where:
Base-Base interactions energy: -120.392
where: short stacking energy: -60.713
Base-Backbone interact. energy: -0.108
local terms energy: -74.812276
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -18.896
flat angles P-C4'-P energy: -8.710
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: 6, replica: 3
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -198.841143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.841143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.841143 (E_RNA)
where:
Base-Base interactions energy: -120.896
where: short stacking energy: -68.087
Base-Backbone interact. energy: -0.088
local terms energy: -77.857432
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -14.760
flat angles C4'-P-C4' energy: -18.334
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: -19.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -131.138647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.138647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.138647 (E_RNA)
where:
Base-Base interactions energy: -61.772
where: short stacking energy: -46.395
Base-Backbone interact. energy: 0.384
local terms energy: -69.750495
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -14.334
tors. eta vs tors. theta energy: -7.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -138.098694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.098694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.098694 (E_RNA)
where:
Base-Base interactions energy: -69.284
where: short stacking energy: -40.570
Base-Backbone interact. energy: 0.482
local terms energy: -69.297520
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -19.222
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -10.181
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: 9, replica: 1
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -91.088649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.088649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.088649 (E_RNA)
where:
Base-Base interactions energy: -40.662
where: short stacking energy: -34.243
Base-Backbone interact. energy: 1.844
local terms energy: -52.270499
where:
bonds (distance) C4'-P energy: -8.336
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -5.336
tors. eta vs tors. theta energy: -9.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -87.506186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.506186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.506186 (E_RNA)
where:
Base-Base interactions energy: -30.206
where: short stacking energy: -30.206
Base-Backbone interact. energy: -0.248
local terms energy: -57.052626
where:
bonds (distance) C4'-P energy: -18.338
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -2.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -238.699391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.699391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.699391 (E_RNA)
where:
Base-Base interactions energy: -158.083
where: short stacking energy: -69.881
Base-Backbone interact. energy: -0.290
local terms energy: -80.326805
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -16.553
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -13.148
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: 2, replica: 10
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -225.195994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.195994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.195994 (E_RNA)
where:
Base-Base interactions energy: -143.348
where: short stacking energy: -72.396
Base-Backbone interact. energy: -0.060
local terms energy: -81.787588
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -18.318
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -11.453
tors. eta vs tors. theta energy: -19.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -209.524842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.524842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.524842 (E_RNA)
where:
Base-Base interactions energy: -129.055
where: short stacking energy: -66.734
Base-Backbone interact. energy: -0.612
local terms energy: -79.857483
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -17.365
flat angles P-C4'-P energy: -14.494
tors. eta vs tors. theta energy: -15.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -175.857392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.857392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.857392 (E_RNA)
where:
Base-Base interactions energy: -98.609
where: short stacking energy: -53.368
Base-Backbone interact. energy: -0.576
local terms energy: -76.673067
where:
bonds (distance) C4'-P energy: -19.146
bonds (distance) P-C4' energy: -19.457
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -11.801
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: 9
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -192.806486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.806486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.806486 (E_RNA)
where:
Base-Base interactions energy: -117.870
where: short stacking energy: -50.385
Base-Backbone interact. energy: -0.194
local terms energy: -74.742355
where:
bonds (distance) C4'-P energy: -18.823
bonds (distance) P-C4' energy: -18.518
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -6.075
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: 3
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -180.101390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.101390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.101390 (E_RNA)
where:
Base-Base interactions energy: -105.463
where: short stacking energy: -54.588
Base-Backbone interact. energy: 0.390
local terms energy: -75.028278
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -18.083
flat angles C4'-P-C4' energy: -17.394
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -12.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -106.075748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.075748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.075748 (E_RNA)
where:
Base-Base interactions energy: -62.566
where: short stacking energy: -23.950
Base-Backbone interact. energy: -0.543
local terms energy: -42.966329
where:
bonds (distance) C4'-P energy: -18.807
bonds (distance) P-C4' energy: -14.810
flat angles C4'-P-C4' energy: -9.400
flat angles P-C4'-P energy: -2.562
tors. eta vs tors. theta energy: 2.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -133.921523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.921523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.921523 (E_RNA)
where:
Base-Base interactions energy: -77.463
where: short stacking energy: -40.346
Base-Backbone interact. energy: -0.131
local terms energy: -56.326958
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -5.611
tors. eta vs tors. theta energy: -5.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -92.086099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.086099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.086099 (E_RNA)
where:
Base-Base interactions energy: -34.193
where: short stacking energy: -34.104
Base-Backbone interact. energy: -0.071
local terms energy: -57.821716
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -9.804
flat angles P-C4'-P energy: -14.630
tors. eta vs tors. theta energy: -7.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -102.298799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.298799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.298799 (E_RNA)
where:
Base-Base interactions energy: -45.555
where: short stacking energy: -34.137
Base-Backbone interact. energy: 0.046
local terms energy: -56.789525
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -15.824
flat angles C4'-P-C4' energy: -16.447
flat angles P-C4'-P energy: -7.000
tors. eta vs tors. theta energy: -5.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -244.150997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.150997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.150997 (E_RNA)
where:
Base-Base interactions energy: -153.262
where: short stacking energy: -73.264
Base-Backbone interact. energy: -0.560
local terms energy: -90.328790
where:
bonds (distance) C4'-P energy: -19.650
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -18.812
flat angles P-C4'-P energy: -14.395
tors. eta vs tors. theta energy: -21.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -226.434168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.434168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.434168 (E_RNA)
where:
Base-Base interactions energy: -141.781
where: short stacking energy: -82.155
Base-Backbone interact. energy: -0.311
local terms energy: -84.341756
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -18.530
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -23.312
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: 440
Temperature: 1.000000
Total energy: -206.191497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.191497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.191497 (E_RNA)
where:
Base-Base interactions energy: -132.758
where: short stacking energy: -67.294
Base-Backbone interact. energy: -0.108
local terms energy: -73.324996
where:
bonds (distance) C4'-P energy: -17.387
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -19.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -203.967411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.967411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.967411 (E_RNA)
where:
Base-Base interactions energy: -122.476
where: short stacking energy: -64.949
Base-Backbone interact. energy: -0.166
local terms energy: -81.325747
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -18.359
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -14.281
tors. eta vs tors. theta energy: -16.480
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: 3
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -189.942940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.942940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.942940 (E_RNA)
where:
Base-Base interactions energy: -115.719
where: short stacking energy: -52.997
Base-Backbone interact. energy: 0.337
local terms energy: -74.560851
where:
bonds (distance) C4'-P energy: -17.060
bonds (distance) P-C4' energy: -16.974
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: -15.664
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: 9
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -184.697462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.697462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.697462 (E_RNA)
where:
Base-Base interactions energy: -113.201
where: short stacking energy: -60.364
Base-Backbone interact. energy: -0.116
local terms energy: -71.380290
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -15.277
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -12.710
tors. eta vs tors. theta energy: -13.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -155.079215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.079215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.079215 (E_RNA)
where:
Base-Base interactions energy: -88.148
where: short stacking energy: -46.669
Base-Backbone interact. energy: -0.727
local terms energy: -66.204131
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -8.952
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: 7
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -102.898363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.898363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.898363 (E_RNA)
where:
Base-Base interactions energy: -49.786
where: short stacking energy: -49.786
Base-Backbone interact. energy: 1.676
local terms energy: -54.788532
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -11.570
flat angles C4'-P-C4' energy: -9.858
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -11.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -99.612908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.612908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.612908 (E_RNA)
where:
Base-Base interactions energy: -37.263
where: short stacking energy: -36.717
Base-Backbone interact. energy: -0.264
local terms energy: -62.086109
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -11.599
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -10.194
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: 10, replica: 4
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -87.849668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.849668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.849668 (E_RNA)
where:
Base-Base interactions energy: -34.856
where: short stacking energy: -35.134
Base-Backbone interact. energy: 1.169
local terms energy: -54.162637
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -15.969
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -6.797
tors. eta vs tors. theta energy: -2.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -243.102183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.102183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.102183 (E_RNA)
where:
Base-Base interactions energy: -153.182
where: short stacking energy: -66.088
Base-Backbone interact. energy: -0.894
local terms energy: -89.026286
where:
bonds (distance) C4'-P energy: -19.067
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -20.528
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -22.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -231.836873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.836873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.836873 (E_RNA)
where:
Base-Base interactions energy: -147.271
where: short stacking energy: -78.582
Base-Backbone interact. energy: -0.108
local terms energy: -84.457673
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -20.065
flat angles P-C4'-P energy: -10.197
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: 3, replica: 5
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -214.036355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.036355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.036355 (E_RNA)
where:
Base-Base interactions energy: -137.269
where: short stacking energy: -71.199
Base-Backbone interact. energy: -0.070
local terms energy: -76.697123
where:
bonds (distance) C4'-P energy: -17.441
bonds (distance) P-C4' energy: -13.717
flat angles C4'-P-C4' energy: -17.896
flat angles P-C4'-P energy: -8.334
tors. eta vs tors. theta energy: -19.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -205.071661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.071661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.071661 (E_RNA)
where:
Base-Base interactions energy: -124.958
where: short stacking energy: -70.153
Base-Backbone interact. energy: 3.845
local terms energy: -83.958583
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -18.241
flat angles C4'-P-C4' energy: -15.970
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -22.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -178.571834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.571834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.571834 (E_RNA)
where:
Base-Base interactions energy: -109.057
where: short stacking energy: -48.315
Base-Backbone interact. energy: -0.154
local terms energy: -69.360644
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -18.395
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -7.670
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: 441
Temperature: 1.150000
Total energy: -195.101320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.101320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.101320 (E_RNA)
where:
Base-Base interactions energy: -123.183
where: short stacking energy: -53.831
Base-Backbone interact. energy: -0.163
local terms energy: -71.754765
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -19.951
flat angles C4'-P-C4' energy: -11.091
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -20.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -164.930514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.930514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.930514 (E_RNA)
where:
Base-Base interactions energy: -97.155
where: short stacking energy: -46.168
Base-Backbone interact. energy: -0.634
local terms energy: -67.142330
where:
bonds (distance) C4'-P energy: -17.200
bonds (distance) P-C4' energy: -16.997
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -9.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -111.904893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.904893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.904893 (E_RNA)
where:
Base-Base interactions energy: -49.099
where: short stacking energy: -49.099
Base-Backbone interact. energy: 0.597
local terms energy: -63.403300
where:
bonds (distance) C4'-P energy: -5.752
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -18.685
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -11.017
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: 7
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -116.674595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.674595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.674595 (E_RNA)
where:
Base-Base interactions energy: -60.413
where: short stacking energy: -32.090
Base-Backbone interact. energy: -0.168
local terms energy: -56.093886
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -13.523
flat angles C4'-P-C4' energy: -12.706
flat angles P-C4'-P energy: -10.600
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: 4
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -89.884448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.884448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.884448 (E_RNA)
where:
Base-Base interactions energy: -27.037
where: short stacking energy: -27.037
Base-Backbone interact. energy: -0.224
local terms energy: -62.622932
where:
bonds (distance) C4'-P energy: -12.059
bonds (distance) P-C4' energy: -18.964
flat angles C4'-P-C4' energy: -16.649
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -2.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -232.984993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.984993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.984993 (E_RNA)
where:
Base-Base interactions energy: -153.785
where: short stacking energy: -69.627
Base-Backbone interact. energy: 1.879
local terms energy: -81.078656
where:
bonds (distance) C4'-P energy: -18.019
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -14.778
tors. eta vs tors. theta energy: -19.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -231.590003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.590003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.590003 (E_RNA)
where:
Base-Base interactions energy: -151.745
where: short stacking energy: -76.439
Base-Backbone interact. energy: -0.046
local terms energy: -79.798757
where:
bonds (distance) C4'-P energy: -19.808
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -11.004
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: 3, replica: 3
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -201.344567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.344567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.344567 (E_RNA)
where:
Base-Base interactions energy: -121.268
where: short stacking energy: -64.780
Base-Backbone interact. energy: -0.278
local terms energy: -79.798290
where:
bonds (distance) C4'-P energy: -18.517
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -17.039
flat angles P-C4'-P energy: -13.037
tors. eta vs tors. theta energy: -15.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -214.151906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.151906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.151906 (E_RNA)
where:
Base-Base interactions energy: -140.589
where: short stacking energy: -62.939
Base-Backbone interact. energy: 1.075
local terms energy: -74.637551
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -18.645
flat angles P-C4'-P energy: -7.052
tors. eta vs tors. theta energy: -16.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -210.783846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.783846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.783846 (E_RNA)
where:
Base-Base interactions energy: -131.932
where: short stacking energy: -75.850
Base-Backbone interact. energy: -0.044
local terms energy: -78.807556
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -20.373
flat angles C4'-P-C4' energy: -17.052
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -20.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -177.687138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.687138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.687138 (E_RNA)
where:
Base-Base interactions energy: -106.322
where: short stacking energy: -48.742
Base-Backbone interact. energy: -0.505
local terms energy: -70.860716
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -14.458
tors. eta vs tors. theta energy: -8.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -155.787506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.787506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.787506 (E_RNA)
where:
Base-Base interactions energy: -91.036
where: short stacking energy: -46.448
Base-Backbone interact. energy: -0.228
local terms energy: -64.523058
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -9.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -104.227170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.227170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.227170 (E_RNA)
where:
Base-Base interactions energy: -42.822
where: short stacking energy: -41.939
Base-Backbone interact. energy: -0.112
local terms energy: -61.292976
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -8.595
flat angles P-C4'-P energy: -12.573
tors. eta vs tors. theta energy: -9.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -123.034037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.034037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.034037 (E_RNA)
where:
Base-Base interactions energy: -62.772
where: short stacking energy: -36.800
Base-Backbone interact. energy: -0.010
local terms energy: -60.251884
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -10.613
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -9.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -94.226744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.226744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.226744 (E_RNA)
where:
Base-Base interactions energy: -33.174
where: short stacking energy: -33.174
Base-Backbone interact. energy: -0.081
local terms energy: -60.971393
where:
bonds (distance) C4'-P energy: -19.026
bonds (distance) P-C4' energy: -16.938
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -4.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -240.879978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.879978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.879978 (E_RNA)
where:
Base-Base interactions energy: -157.528
where: short stacking energy: -65.421
Base-Backbone interact. energy: -0.255
local terms energy: -83.097469
where:
bonds (distance) C4'-P energy: -17.984
bonds (distance) P-C4' energy: -18.784
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -20.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -213.513204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.513204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.513204 (E_RNA)
where:
Base-Base interactions energy: -132.329
where: short stacking energy: -59.779
Base-Backbone interact. energy: -0.306
local terms energy: -80.878343
where:
bonds (distance) C4'-P energy: -15.847
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -19.143
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -16.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -219.256954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.256954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.256954 (E_RNA)
where:
Base-Base interactions energy: -142.538
where: short stacking energy: -68.839
Base-Backbone interact. energy: -0.335
local terms energy: -76.383878
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -19.331
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -17.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -209.730823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.730823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.730823 (E_RNA)
where:
Base-Base interactions energy: -136.733
where: short stacking energy: -76.207
Base-Backbone interact. energy: 0.441
local terms energy: -73.438608
where:
bonds (distance) C4'-P energy: -10.339
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -22.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -170.036091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.036091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.036091 (E_RNA)
where:
Base-Base interactions energy: -104.530
where: short stacking energy: -56.501
Base-Backbone interact. energy: -0.396
local terms energy: -65.109946
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -9.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -161.862596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.862596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.862596 (E_RNA)
where:
Base-Base interactions energy: -90.955
where: short stacking energy: -57.534
Base-Backbone interact. energy: -0.042
local terms energy: -70.865297
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -21.361
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -11.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -170.551235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.551235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.551235 (E_RNA)
where:
Base-Base interactions energy: -90.072
where: short stacking energy: -51.720
Base-Backbone interact. energy: -0.126
local terms energy: -80.353012
where:
bonds (distance) C4'-P energy: -14.017
bonds (distance) P-C4' energy: -17.760
flat angles C4'-P-C4' energy: -19.397
flat angles P-C4'-P energy: -12.918
tors. eta vs tors. theta energy: -16.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -91.789328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.789328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.789328 (E_RNA)
where:
Base-Base interactions energy: -35.897
where: short stacking energy: -17.879
Base-Backbone interact. energy: -0.445
local terms energy: -55.447758
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -17.624
flat angles C4'-P-C4' energy: -19.950
flat angles P-C4'-P energy: -4.050
tors. eta vs tors. theta energy: 2.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -94.976319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.976319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.976319 (E_RNA)
where:
Base-Base interactions energy: -43.090
where: short stacking energy: -40.707
Base-Backbone interact. energy: -0.015
local terms energy: -51.871196
where:
bonds (distance) C4'-P energy: -17.200
bonds (distance) P-C4' energy: -11.161
flat angles C4'-P-C4' energy: -10.062
flat angles P-C4'-P energy: -2.518
tors. eta vs tors. theta energy: -10.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -90.176427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.176427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.176427 (E_RNA)
where:
Base-Base interactions energy: -35.302
where: short stacking energy: -35.302
Base-Backbone interact. energy: 0.109
local terms energy: -54.983837
where:
bonds (distance) C4'-P energy: -17.316
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -6.447
tors. eta vs tors. theta energy: -3.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -235.747363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.747363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.747363 (E_RNA)
where:
Base-Base interactions energy: -145.966
where: short stacking energy: -68.325
Base-Backbone interact. energy: -0.016
local terms energy: -89.765490
where:
bonds (distance) C4'-P energy: -17.714
bonds (distance) P-C4' energy: -20.889
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -13.885
tors. eta vs tors. theta energy: -22.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -215.565055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.565055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.565055 (E_RNA)
where:
Base-Base interactions energy: -145.609
where: short stacking energy: -65.780
Base-Backbone interact. energy: -0.176
local terms energy: -69.780163
where:
bonds (distance) C4'-P energy: -9.632
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -12.204
tors. eta vs tors. theta energy: -14.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -211.695288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.695288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.695288 (E_RNA)
where:
Base-Base interactions energy: -129.431
where: short stacking energy: -73.548
Base-Backbone interact. energy: 1.257
local terms energy: -83.521047
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -18.665
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -21.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -197.756762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.756762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.756762 (E_RNA)
where:
Base-Base interactions energy: -116.373
where: short stacking energy: -60.788
Base-Backbone interact. energy: -0.200
local terms energy: -81.184260
where:
bonds (distance) C4'-P energy: -17.431
bonds (distance) P-C4' energy: -19.873
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -17.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -182.453819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.453819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.453819 (E_RNA)
where:
Base-Base interactions energy: -107.014
where: short stacking energy: -59.891
Base-Backbone interact. energy: -0.009
local terms energy: -75.430492
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -18.037
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: -17.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -136.121511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.121511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.121511 (E_RNA)
where:
Base-Base interactions energy: -84.321
where: short stacking energy: -55.412
Base-Backbone interact. energy: -0.037
local terms energy: -51.764202
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -10.336
flat angles P-C4'-P energy: -4.902
tors. eta vs tors. theta energy: -7.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -179.708660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.708660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.708660 (E_RNA)
where:
Base-Base interactions energy: -117.636
where: short stacking energy: -57.826
Base-Backbone interact. energy: -0.024
local terms energy: -62.048047
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -16.809
flat angles C4'-P-C4' energy: -11.944
flat angles P-C4'-P energy: -4.554
tors. eta vs tors. theta energy: -12.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -107.486127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.486127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.486127 (E_RNA)
where:
Base-Base interactions energy: -54.597
where: short stacking energy: -38.457
Base-Backbone interact. energy: -0.258
local terms energy: -52.631373
where:
bonds (distance) C4'-P energy: -6.005
bonds (distance) P-C4' energy: -14.609
flat angles C4'-P-C4' energy: -18.525
flat angles P-C4'-P energy: -7.232
tors. eta vs tors. theta energy: -6.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -92.499913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.499913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.499913 (E_RNA)
where:
Base-Base interactions energy: -34.717
where: short stacking energy: -24.805
Base-Backbone interact. energy: -0.286
local terms energy: -57.496599
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -5.692
tors. eta vs tors. theta energy: -7.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -94.433690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.433690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.433690 (E_RNA)
where:
Base-Base interactions energy: -40.105
where: short stacking energy: -28.182
Base-Backbone interact. energy: -0.119
local terms energy: -54.209542
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -19.786
flat angles C4'-P-C4' energy: -9.880
flat angles P-C4'-P energy: -5.341
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: 10
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -234.705553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.705553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.705553 (E_RNA)
where:
Base-Base interactions energy: -152.314
where: short stacking energy: -66.905
Base-Backbone interact. energy: -0.077
local terms energy: -82.315049
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -19.556
flat angles C4'-P-C4' energy: -17.010
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -20.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -221.157246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.157246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.157246 (E_RNA)
where:
Base-Base interactions energy: -138.337
where: short stacking energy: -71.977
Base-Backbone interact. energy: -0.103
local terms energy: -82.717224
where:
bonds (distance) C4'-P energy: -19.605
bonds (distance) P-C4' energy: -19.588
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -11.702
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: 3, replica: 6
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -203.218620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.218620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.218620 (E_RNA)
where:
Base-Base interactions energy: -127.337
where: short stacking energy: -61.664
Base-Backbone interact. energy: -1.048
local terms energy: -74.833525
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -13.741
tors. eta vs tors. theta energy: -15.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -210.922250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.922250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.922250 (E_RNA)
where:
Base-Base interactions energy: -123.582
where: short stacking energy: -69.994
Base-Backbone interact. energy: -0.046
local terms energy: -87.293644
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -18.836
flat angles P-C4'-P energy: -15.558
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: 5, replica: 5
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -169.923407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.923407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.923407 (E_RNA)
where:
Base-Base interactions energy: -101.248
where: short stacking energy: -53.183
Base-Backbone interact. energy: -0.283
local terms energy: -68.392747
where:
bonds (distance) C4'-P energy: -11.026
bonds (distance) P-C4' energy: -19.297
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -10.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -195.960146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.960146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.960146 (E_RNA)
where:
Base-Base interactions energy: -121.718
where: short stacking energy: -61.451
Base-Backbone interact. energy: -0.058
local terms energy: -74.184686
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -11.272
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: 7, replica: 2
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -98.966080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.966080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.966080 (E_RNA)
where:
Base-Base interactions energy: -40.455
where: short stacking energy: -32.688
Base-Backbone interact. energy: -0.175
local terms energy: -58.336041
where:
bonds (distance) C4'-P energy: -10.484
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: -3.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -106.303441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.303441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.303441 (E_RNA)
where:
Base-Base interactions energy: -49.180
where: short stacking energy: -49.180
Base-Backbone interact. energy: -0.002
local terms energy: -57.121487
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -10.721
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -4.330
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: 9, replica: 7
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -79.107370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.107370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.107370 (E_RNA)
where:
Base-Base interactions energy: -29.433
where: short stacking energy: -25.680
Base-Backbone interact. energy: -0.869
local terms energy: -48.806039
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -5.868
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: -5.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -86.414928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.414928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.414928 (E_RNA)
where:
Base-Base interactions energy: -30.624
where: short stacking energy: -26.225
Base-Backbone interact. energy: -0.217
local terms energy: -55.574020
where:
bonds (distance) C4'-P energy: -17.441
bonds (distance) P-C4' energy: -16.764
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -7.991
tors. eta vs tors. theta energy: 2.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -222.055110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.055110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.055110 (E_RNA)
where:
Base-Base interactions energy: -132.462
where: short stacking energy: -72.866
Base-Backbone interact. energy: -0.097
local terms energy: -89.495199
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -19.143
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -16.406
tors. eta vs tors. theta energy: -20.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -226.377010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.377010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.377010 (E_RNA)
where:
Base-Base interactions energy: -146.217
where: short stacking energy: -75.064
Base-Backbone interact. energy: -0.244
local terms energy: -79.916480
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -17.288
flat angles C4'-P-C4' energy: -19.551
flat angles P-C4'-P energy: -7.057
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: 3, replica: 8
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -205.750300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.750300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.750300 (E_RNA)
where:
Base-Base interactions energy: -124.146
where: short stacking energy: -66.090
Base-Backbone interact. energy: -0.002
local terms energy: -81.603157
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -18.326
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -12.116
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: 4, replica: 6
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -189.796773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.796773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.796773 (E_RNA)
where:
Base-Base interactions energy: -117.128
where: short stacking energy: -49.854
Base-Backbone interact. energy: -0.844
local terms energy: -71.825221
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -18.971
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -10.575
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: 9
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -194.785082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.785082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.785082 (E_RNA)
where:
Base-Base interactions energy: -118.808
where: short stacking energy: -56.645
Base-Backbone interact. energy: -0.043
local terms energy: -75.934181
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -17.636
flat angles P-C4'-P energy: -10.281
tors. eta vs tors. theta energy: -16.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -159.024215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.024215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.024215 (E_RNA)
where:
Base-Base interactions energy: -94.240
where: short stacking energy: -45.473
Base-Backbone interact. energy: -1.053
local terms energy: -63.731248
where:
bonds (distance) C4'-P energy: -17.327
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -3.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -105.288291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.288291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.288291 (E_RNA)
where:
Base-Base interactions energy: -42.018
where: short stacking energy: -42.018
Base-Backbone interact. energy: -0.246
local terms energy: -63.024119
where:
bonds (distance) C4'-P energy: -18.661
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -11.512
flat angles P-C4'-P energy: -6.485
tors. eta vs tors. theta energy: -9.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -116.483693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.483693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.483693 (E_RNA)
where:
Base-Base interactions energy: -49.931
where: short stacking energy: -48.950
Base-Backbone interact. energy: -0.014
local terms energy: -66.539072
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -14.136
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -14.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -88.384797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.384797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.384797 (E_RNA)
where:
Base-Base interactions energy: -35.750
where: short stacking energy: -33.022
Base-Backbone interact. energy: -0.230
local terms energy: -52.403884
where:
bonds (distance) C4'-P energy: -11.442
bonds (distance) P-C4' energy: -15.081
flat angles C4'-P-C4' energy: -10.678
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -4.245
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: 7
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -136.850111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.850111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.850111 (E_RNA)
where:
Base-Base interactions energy: -80.213
where: short stacking energy: -40.976
Base-Backbone interact. energy: -0.156
local terms energy: -56.481603
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: -5.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -213.159448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.159448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.159448 (E_RNA)
where:
Base-Base interactions energy: -132.249
where: short stacking energy: -71.147
Base-Backbone interact. energy: -0.178
local terms energy: -80.732622
where:
bonds (distance) C4'-P energy: -18.314
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -7.688
tors. eta vs tors. theta energy: -18.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -223.558691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.558691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.558691 (E_RNA)
where:
Base-Base interactions energy: -139.786
where: short stacking energy: -75.311
Base-Backbone interact. energy: 0.139
local terms energy: -83.911508
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -16.996
flat angles C4'-P-C4' energy: -19.602
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -20.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -222.673365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.673365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.673365 (E_RNA)
where:
Base-Base interactions energy: -140.650
where: short stacking energy: -64.149
Base-Backbone interact. energy: -0.090
local terms energy: -81.933773
where:
bonds (distance) C4'-P energy: -16.685
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -9.374
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: 9
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -216.469575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.469575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.469575 (E_RNA)
where:
Base-Base interactions energy: -134.363
where: short stacking energy: -75.089
Base-Backbone interact. energy: -0.160
local terms energy: -81.946716
where:
bonds (distance) C4'-P energy: -14.192
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -15.040
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: 5, replica: 6
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -193.538780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.538780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.538780 (E_RNA)
where:
Base-Base interactions energy: -114.137
where: short stacking energy: -59.814
Base-Backbone interact. energy: 0.184
local terms energy: -79.585837
where:
bonds (distance) C4'-P energy: -17.841
bonds (distance) P-C4' energy: -19.662
flat angles C4'-P-C4' energy: -13.371
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -18.576
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: 5
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -175.824700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.824700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.824700 (E_RNA)
where:
Base-Base interactions energy: -105.934
where: short stacking energy: -44.817
Base-Backbone interact. energy: -0.344
local terms energy: -69.547200
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -18.841
flat angles C4'-P-C4' energy: -12.171
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -11.277
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: 2
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -139.910284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.910284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.910284 (E_RNA)
where:
Base-Base interactions energy: -85.911
where: short stacking energy: -47.372
Base-Backbone interact. energy: -0.101
local terms energy: -53.898956
where:
bonds (distance) C4'-P energy: -9.456
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -17.664
flat angles P-C4'-P energy: -3.318
tors. eta vs tors. theta energy: -9.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -106.219726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.219726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.219726 (E_RNA)
where:
Base-Base interactions energy: -41.913
where: short stacking energy: -41.913
Base-Backbone interact. energy: -0.078
local terms energy: -64.228739
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -8.427
tors. eta vs tors. theta energy: -8.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -93.269250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.269250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.269250 (E_RNA)
where:
Base-Base interactions energy: -36.314
where: short stacking energy: -34.856
Base-Backbone interact. energy: 0.242
local terms energy: -57.196878
where:
bonds (distance) C4'-P energy: -15.857
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -10.164
flat angles P-C4'-P energy: -5.708
tors. eta vs tors. theta energy: -8.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -126.707609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.707609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.707609 (E_RNA)
where:
Base-Base interactions energy: -82.701
where: short stacking energy: -33.840
Base-Backbone interact. energy: 3.999
local terms energy: -48.005896
where:
bonds (distance) C4'-P energy: -9.474
bonds (distance) P-C4' energy: -16.017
flat angles C4'-P-C4' energy: -17.923
flat angles P-C4'-P energy: -0.975
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: 448
Temperature: 0.900000
Total energy: -214.966200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.966200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.966200 (E_RNA)
where:
Base-Base interactions energy: -128.647
where: short stacking energy: -68.630
Base-Backbone interact. energy: -0.277
local terms energy: -86.041923
where:
bonds (distance) C4'-P energy: -18.836
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -20.573
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -16.572
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: 10
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -221.737965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.737965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.737965 (E_RNA)
where:
Base-Base interactions energy: -147.722
where: short stacking energy: -72.701
Base-Backbone interact. energy: -0.082
local terms energy: -73.934872
where:
bonds (distance) C4'-P energy: -18.942
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -16.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -226.311367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.311367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.311367 (E_RNA)
where:
Base-Base interactions energy: -154.092
where: short stacking energy: -79.564
Base-Backbone interact. energy: -0.023
local terms energy: -72.195782
where:
bonds (distance) C4'-P energy: -10.195
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -17.811
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -18.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -211.731677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.731677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.731677 (E_RNA)
where:
Base-Base interactions energy: -136.294
where: short stacking energy: -74.265
Base-Backbone interact. energy: -0.017
local terms energy: -75.420423
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -17.133
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -10.988
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: 5
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -179.737461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.737461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.737461 (E_RNA)
where:
Base-Base interactions energy: -110.348
where: short stacking energy: -56.504
Base-Backbone interact. energy: -0.185
local terms energy: -69.204721
where:
bonds (distance) C4'-P energy: -18.257
bonds (distance) P-C4' energy: -14.165
flat angles C4'-P-C4' energy: -12.243
flat angles P-C4'-P energy: -12.290
tors. eta vs tors. theta energy: -12.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -203.081362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.081362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.081362 (E_RNA)
where:
Base-Base interactions energy: -125.816
where: short stacking energy: -68.544
Base-Backbone interact. energy: -0.017
local terms energy: -77.248628
where:
bonds (distance) C4'-P energy: -20.082
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -8.836
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: 7, replica: 1
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -101.504405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.504405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.504405 (E_RNA)
where:
Base-Base interactions energy: -42.423
where: short stacking energy: -40.623
Base-Backbone interact. energy: -0.012
local terms energy: -59.069413
where:
bonds (distance) C4'-P energy: -10.543
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -12.477
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: 8, replica: 2
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -93.339209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.339209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.339209 (E_RNA)
where:
Base-Base interactions energy: -37.148
where: short stacking energy: -37.148
Base-Backbone interact. energy: -0.126
local terms energy: -56.065849
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -16.788
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -7.295
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: 9, replica: 7
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -155.824393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.824393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.824393 (E_RNA)
where:
Base-Base interactions energy: -89.023
where: short stacking energy: -46.425
Base-Backbone interact. energy: -0.116
local terms energy: -66.686233
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -10.006
flat angles C4'-P-C4' energy: -20.684
flat angles P-C4'-P energy: -9.491
tors. eta vs tors. theta energy: -12.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -94.655329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.655329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.655329 (E_RNA)
where:
Base-Base interactions energy: -39.660
where: short stacking energy: -39.660
Base-Backbone interact. energy: -0.310
local terms energy: -54.684780
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -12.670
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -4.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -220.736294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.736294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.736294 (E_RNA)
where:
Base-Base interactions energy: -133.146
where: short stacking energy: -70.126
Base-Backbone interact. energy: -0.027
local terms energy: -87.563556
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -21.582
flat angles C4'-P-C4' energy: -18.394
flat angles P-C4'-P energy: -12.785
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: 10
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -228.037566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.037566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.037566 (E_RNA)
where:
Base-Base interactions energy: -148.383
where: short stacking energy: -72.184
Base-Backbone interact. energy: -0.056
local terms energy: -79.598014
where:
bonds (distance) C4'-P energy: -16.538
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -18.562
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: 3, replica: 8
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -205.548812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.548812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.548812 (E_RNA)
where:
Base-Base interactions energy: -128.218
where: short stacking energy: -67.165
Base-Backbone interact. energy: -0.024
local terms energy: -77.306963
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -12.605
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -15.582
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: 4, replica: 5
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -171.589846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.589846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.589846 (E_RNA)
where:
Base-Base interactions energy: -98.607
where: short stacking energy: -49.920
Base-Backbone interact. energy: -0.224
local terms energy: -72.758901
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -13.729
flat angles C4'-P-C4' energy: -19.232
flat angles P-C4'-P energy: -13.749
tors. eta vs tors. theta energy: -10.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -184.772934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.772934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.772934 (E_RNA)
where:
Base-Base interactions energy: -115.358
where: short stacking energy: -53.190
Base-Backbone interact. energy: -0.149
local terms energy: -69.266221
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -13.192
tors. eta vs tors. theta energy: -14.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -178.665634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.665634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.665634 (E_RNA)
where:
Base-Base interactions energy: -112.544
where: short stacking energy: -48.382
Base-Backbone interact. energy: -0.107
local terms energy: -66.013904
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -15.919
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -7.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -110.143682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.143682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.143682 (E_RNA)
where:
Base-Base interactions energy: -50.393
where: short stacking energy: -49.988
Base-Backbone interact. energy: 0.289
local terms energy: -60.039612
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -10.187
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -9.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -171.230986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.230986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.230986 (E_RNA)
where:
Base-Base interactions energy: -101.706
where: short stacking energy: -49.225
Base-Backbone interact. energy: -0.086
local terms energy: -69.439546
where:
bonds (distance) C4'-P energy: -17.037
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -9.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -85.945957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.945957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.945957 (E_RNA)
where:
Base-Base interactions energy: -35.366
where: short stacking energy: -23.829
Base-Backbone interact. energy: -0.046
local terms energy: -50.533834
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -11.619
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -8.343
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: 10, replica: 4
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -105.088195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.088195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.088195 (E_RNA)
where:
Base-Base interactions energy: -46.491
where: short stacking energy: -18.500
Base-Backbone interact. energy: -0.170
local terms energy: -58.427520
where:
bonds (distance) C4'-P energy: -17.737
bonds (distance) P-C4' energy: -13.198
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -4.008
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: 10
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -237.040164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.040164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.040164 (E_RNA)
where:
Base-Base interactions energy: -157.014
where: short stacking energy: -77.856
Base-Backbone interact. energy: -0.146
local terms energy: -79.879726
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -20.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -213.952401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.952401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.952401 (E_RNA)
where:
Base-Base interactions energy: -142.744
where: short stacking energy: -68.808
Base-Backbone interact. energy: -0.028
local terms energy: -71.180932
where:
bonds (distance) C4'-P energy: -17.223
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -5.258
tors. eta vs tors. theta energy: -18.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -211.042613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.042613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.042613 (E_RNA)
where:
Base-Base interactions energy: -128.834
where: short stacking energy: -72.037
Base-Backbone interact. energy: -0.145
local terms energy: -82.063318
where:
bonds (distance) C4'-P energy: -13.562
bonds (distance) P-C4' energy: -19.492
flat angles C4'-P-C4' energy: -17.052
flat angles P-C4'-P energy: -12.454
tors. eta vs tors. theta energy: -19.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -174.157539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.157539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.157539 (E_RNA)
where:
Base-Base interactions energy: -107.488
where: short stacking energy: -68.354
Base-Backbone interact. energy: -0.168
local terms energy: -66.501520
where:
bonds (distance) C4'-P energy: -16.313
bonds (distance) P-C4' energy: -11.927
flat angles C4'-P-C4' energy: -8.744
flat angles P-C4'-P energy: -11.755
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: 5, replica: 6
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -190.499467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.499467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.499467 (E_RNA)
where:
Base-Base interactions energy: -109.044
where: short stacking energy: -56.537
Base-Backbone interact. energy: -0.007
local terms energy: -81.448488
where:
bonds (distance) C4'-P energy: -16.988
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -13.809
tors. eta vs tors. theta energy: -15.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -176.856965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.856965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.856965 (E_RNA)
where:
Base-Base interactions energy: -109.036
where: short stacking energy: -50.842
Base-Backbone interact. energy: -0.310
local terms energy: -67.511050
where:
bonds (distance) C4'-P energy: -17.445
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -11.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -161.082280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.082280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.082280 (E_RNA)
where:
Base-Base interactions energy: -97.209
where: short stacking energy: -42.422
Base-Backbone interact. energy: 1.238
local terms energy: -65.111943
where:
bonds (distance) C4'-P energy: -10.029
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -12.891
tors. eta vs tors. theta energy: -6.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -92.058378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.058378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.058378 (E_RNA)
where:
Base-Base interactions energy: -37.510
where: short stacking energy: -36.651
Base-Backbone interact. energy: 1.253
local terms energy: -55.800881
where:
bonds (distance) C4'-P energy: -17.459
bonds (distance) P-C4' energy: -8.681
flat angles C4'-P-C4' energy: -16.742
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -4.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -107.402097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.402097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.402097 (E_RNA)
where:
Base-Base interactions energy: -45.353
where: short stacking energy: -22.832
Base-Backbone interact. energy: -0.283
local terms energy: -61.766475
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -14.521
flat angles C4'-P-C4' energy: -18.618
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -2.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -90.440441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.440441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.440441 (E_RNA)
where:
Base-Base interactions energy: -39.195
where: short stacking energy: -33.360
Base-Backbone interact. energy: -0.207
local terms energy: -51.038402
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -8.506
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: 0.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -235.523268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.523268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.523268 (E_RNA)
where:
Base-Base interactions energy: -152.991
where: short stacking energy: -72.817
Base-Backbone interact. energy: -0.138
local terms energy: -82.393941
where:
bonds (distance) C4'-P energy: -16.654
bonds (distance) P-C4' energy: -20.175
flat angles C4'-P-C4' energy: -18.346
flat angles P-C4'-P energy: -6.331
tors. eta vs tors. theta energy: -20.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -213.276774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.276774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.276774 (E_RNA)
where:
Base-Base interactions energy: -139.243
where: short stacking energy: -66.417
Base-Backbone interact. energy: -0.102
local terms energy: -73.932326
where:
bonds (distance) C4'-P energy: -18.094
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -6.640
tors. eta vs tors. theta energy: -14.980
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: 3
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -209.394020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.394020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.394020 (E_RNA)
where:
Base-Base interactions energy: -133.415
where: short stacking energy: -66.647
Base-Backbone interact. energy: -0.068
local terms energy: -75.911014
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -19.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -172.591918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.591918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.591918 (E_RNA)
where:
Base-Base interactions energy: -102.733
where: short stacking energy: -57.552
Base-Backbone interact. energy: -0.026
local terms energy: -69.832429
where:
bonds (distance) C4'-P energy: -18.226
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -13.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -181.311487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.311487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.311487 (E_RNA)
where:
Base-Base interactions energy: -118.225
where: short stacking energy: -50.799
Base-Backbone interact. energy: -0.169
local terms energy: -62.917836
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -13.571
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -8.410
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: 7
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -154.421180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.421180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.421180 (E_RNA)
where:
Base-Base interactions energy: -87.556
where: short stacking energy: -51.672
Base-Backbone interact. energy: 0.450
local terms energy: -67.315033
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -19.774
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -6.152
tors. eta vs tors. theta energy: -10.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -170.921890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.921890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.921890 (E_RNA)
where:
Base-Base interactions energy: -105.907
where: short stacking energy: -57.548
Base-Backbone interact. energy: -0.009
local terms energy: -65.005845
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -10.299
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -12.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -101.451342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.451342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.451342 (E_RNA)
where:
Base-Base interactions energy: -41.507
where: short stacking energy: -37.487
Base-Backbone interact. energy: -0.136
local terms energy: -59.807825
where:
bonds (distance) C4'-P energy: -16.245
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -5.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -98.715119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.715119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.715119 (E_RNA)
where:
Base-Base interactions energy: -40.130
where: short stacking energy: -39.055
Base-Backbone interact. energy: 0.093
local terms energy: -58.678242
where:
bonds (distance) C4'-P energy: -18.922
bonds (distance) P-C4' energy: -12.658
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -4.390
tors. eta vs tors. theta energy: -6.164
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: 10, replica: 2
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -93.505278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.505278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.505278 (E_RNA)
where:
Base-Base interactions energy: -28.442
where: short stacking energy: -28.442
Base-Backbone interact. energy: -0.063
local terms energy: -65.000311
where:
bonds (distance) C4'-P energy: -17.287
bonds (distance) P-C4' energy: -17.177
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -0.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -217.006561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.006561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.006561 (E_RNA)
where:
Base-Base interactions energy: -135.007
where: short stacking energy: -74.247
Base-Backbone interact. energy: 0.416
local terms energy: -82.415435
where:
bonds (distance) C4'-P energy: -17.575
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -13.842
tors. eta vs tors. theta energy: -17.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -231.507424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.507424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.507424 (E_RNA)
where:
Base-Base interactions energy: -147.695
where: short stacking energy: -75.881
Base-Backbone interact. energy: 1.018
local terms energy: -84.830345
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -18.784
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -23.432
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: 452
Temperature: 1.000000
Total energy: -215.235972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.235972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.235972 (E_RNA)
where:
Base-Base interactions energy: -140.493
where: short stacking energy: -67.081
Base-Backbone interact. energy: -0.150
local terms energy: -74.593556
where:
bonds (distance) C4'-P energy: -17.925
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -18.023
flat angles P-C4'-P energy: -5.775
tors. eta vs tors. theta energy: -16.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -191.229068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.229068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.229068 (E_RNA)
where:
Base-Base interactions energy: -114.533
where: short stacking energy: -62.342
Base-Backbone interact. energy: -0.503
local terms energy: -76.193751
where:
bonds (distance) C4'-P energy: -19.990
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -18.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -162.779845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.779845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.779845 (E_RNA)
where:
Base-Base interactions energy: -93.930
where: short stacking energy: -46.211
Base-Backbone interact. energy: -0.303
local terms energy: -68.547051
where:
bonds (distance) C4'-P energy: -18.554
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -9.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -174.377117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.377117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.377117 (E_RNA)
where:
Base-Base interactions energy: -108.451
where: short stacking energy: -44.300
Base-Backbone interact. energy: -0.249
local terms energy: -65.677191
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -17.464
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -10.028
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: 4
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -125.284708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.284708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.284708 (E_RNA)
where:
Base-Base interactions energy: -59.153
where: short stacking energy: -36.592
Base-Backbone interact. energy: 1.382
local terms energy: -67.514063
where:
bonds (distance) C4'-P energy: -19.186
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -13.883
tors. eta vs tors. theta energy: -4.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -160.484435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.484435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.484435 (E_RNA)
where:
Base-Base interactions energy: -94.595
where: short stacking energy: -48.724
Base-Backbone interact. energy: -0.667
local terms energy: -65.222313
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -19.349
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -7.750
tors. eta vs tors. theta energy: -6.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -84.954567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.954567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.954567 (E_RNA)
where:
Base-Base interactions energy: -32.005
where: short stacking energy: -32.005
Base-Backbone interact. energy: -0.109
local terms energy: -52.841438
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -8.375
flat angles P-C4'-P energy: -8.481
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: 10, replica: 1
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -88.062549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.062549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.062549 (E_RNA)
where:
Base-Base interactions energy: -37.409
where: short stacking energy: -37.409
Base-Backbone interact. energy: 0.004
local terms energy: -50.657975
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -9.759
flat angles C4'-P-C4' energy: -13.653
flat angles P-C4'-P energy: -6.795
tors. eta vs tors. theta energy: -6.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -216.561009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.561009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.561009 (E_RNA)
where:
Base-Base interactions energy: -128.169
where: short stacking energy: -74.525
Base-Backbone interact. energy: -0.166
local terms energy: -88.225937
where:
bonds (distance) C4'-P energy: -18.205
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -15.518
tors. eta vs tors. theta energy: -19.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -233.426594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.426594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.426594 (E_RNA)
where:
Base-Base interactions energy: -147.926
where: short stacking energy: -80.900
Base-Backbone interact. energy: -0.084
local terms energy: -85.417124
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -20.154
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -22.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -206.665233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.665233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.665233 (E_RNA)
where:
Base-Base interactions energy: -133.467
where: short stacking energy: -58.646
Base-Backbone interact. energy: -0.181
local terms energy: -73.016681
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -16.211
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -16.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -197.174600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.174600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.174600 (E_RNA)
where:
Base-Base interactions energy: -121.195
where: short stacking energy: -60.464
Base-Backbone interact. energy: -0.029
local terms energy: -75.950117
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -16.345
flat angles C4'-P-C4' energy: -18.115
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -15.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -168.499151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.499151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.499151 (E_RNA)
where:
Base-Base interactions energy: -109.178
where: short stacking energy: -57.936
Base-Backbone interact. energy: -0.119
local terms energy: -59.202618
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -9.995
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: -10.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -162.188769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.188769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.188769 (E_RNA)
where:
Base-Base interactions energy: -99.270
where: short stacking energy: -52.509
Base-Backbone interact. energy: -0.301
local terms energy: -62.617152
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -10.943
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -10.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -105.986417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.986417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.986417 (E_RNA)
where:
Base-Base interactions energy: -48.934
where: short stacking energy: -40.667
Base-Backbone interact. energy: -0.453
local terms energy: -56.598691
where:
bonds (distance) C4'-P energy: -8.978
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -19.397
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -3.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -154.779748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.779748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.779748 (E_RNA)
where:
Base-Base interactions energy: -90.832
where: short stacking energy: -46.595
Base-Backbone interact. energy: -1.228
local terms energy: -62.719906
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -19.295
flat angles C4'-P-C4' energy: -13.711
flat angles P-C4'-P energy: -7.260
tors. eta vs tors. theta energy: -10.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -88.060808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.060808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.060808 (E_RNA)
where:
Base-Base interactions energy: -30.048
where: short stacking energy: -25.865
Base-Backbone interact. energy: -0.080
local terms energy: -57.933573
where:
bonds (distance) C4'-P energy: -17.915
bonds (distance) P-C4' energy: -19.924
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: 2.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -86.053980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.053980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.053980 (E_RNA)
where:
Base-Base interactions energy: -35.259
where: short stacking energy: -21.976
Base-Backbone interact. energy: -1.356
local terms energy: -49.438933
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -7.893
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: 1.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -229.130774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.130774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.130774 (E_RNA)
where:
Base-Base interactions energy: -142.839
where: short stacking energy: -85.282
Base-Backbone interact. energy: -0.090
local terms energy: -86.201287
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -18.756
flat angles P-C4'-P energy: -13.817
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: 8
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -210.791856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.791856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.791856 (E_RNA)
where:
Base-Base interactions energy: -136.532
where: short stacking energy: -71.609
Base-Backbone interact. energy: -0.027
local terms energy: -74.232911
where:
bonds (distance) C4'-P energy: -17.527
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -16.645
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: -15.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -213.082302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.082302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.082302 (E_RNA)
where:
Base-Base interactions energy: -134.455
where: short stacking energy: -65.104
Base-Backbone interact. energy: -0.049
local terms energy: -78.578866
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -18.706
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -8.724
tors. eta vs tors. theta energy: -18.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -200.062342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.062342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.062342 (E_RNA)
where:
Base-Base interactions energy: -115.997
where: short stacking energy: -61.876
Base-Backbone interact. energy: -0.001
local terms energy: -84.064959
where:
bonds (distance) C4'-P energy: -19.262
bonds (distance) P-C4' energy: -20.179
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -17.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -193.945995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.945995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.945995 (E_RNA)
where:
Base-Base interactions energy: -121.906
where: short stacking energy: -59.424
Base-Backbone interact. energy: -0.186
local terms energy: -71.853355
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -16.806
flat angles C4'-P-C4' energy: -16.572
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -14.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -155.538222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.538222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.538222 (E_RNA)
where:
Base-Base interactions energy: -92.532
where: short stacking energy: -58.659
Base-Backbone interact. energy: 2.745
local terms energy: -65.750610
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -8.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -178.809593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.809593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.809593 (E_RNA)
where:
Base-Base interactions energy: -114.229
where: short stacking energy: -54.393
Base-Backbone interact. energy: -0.175
local terms energy: -64.404803
where:
bonds (distance) C4'-P energy: -10.143
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -18.176
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -9.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -92.087731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.087731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.087731 (E_RNA)
where:
Base-Base interactions energy: -29.379
where: short stacking energy: -28.138
Base-Backbone interact. energy: -0.333
local terms energy: -62.375963
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -11.274
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -6.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -114.160316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.160316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.160316 (E_RNA)
where:
Base-Base interactions energy: -52.908
where: short stacking energy: -31.435
Base-Backbone interact. energy: -0.642
local terms energy: -60.609775
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -19.089
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -8.667
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: 10, replica: 2
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -79.807127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.807127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.807127 (E_RNA)
where:
Base-Base interactions energy: -26.138
where: short stacking energy: -24.362
Base-Backbone interact. energy: -0.343
local terms energy: -53.326239
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -13.869
flat angles C4'-P-C4' energy: -17.791
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: 0.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -220.932537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.932537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.932537 (E_RNA)
where:
Base-Base interactions energy: -134.666
where: short stacking energy: -78.771
Base-Backbone interact. energy: -0.081
local terms energy: -86.185601
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -19.560
flat angles C4'-P-C4' energy: -17.717
flat angles P-C4'-P energy: -9.945
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: 3
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -204.704261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.704261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.704261 (E_RNA)
where:
Base-Base interactions energy: -126.799
where: short stacking energy: -63.160
Base-Backbone interact. energy: -0.105
local terms energy: -77.799520
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -18.728
flat angles C4'-P-C4' energy: -18.988
flat angles P-C4'-P energy: -14.400
tors. eta vs tors. theta energy: -13.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -208.504874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.504874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.504874 (E_RNA)
where:
Base-Base interactions energy: -135.639
where: short stacking energy: -72.780
Base-Backbone interact. energy: 0.879
local terms energy: -73.744804
where:
bonds (distance) C4'-P energy: -10.056
bonds (distance) P-C4' energy: -13.661
flat angles C4'-P-C4' energy: -18.660
flat angles P-C4'-P energy: -12.045
tors. eta vs tors. theta energy: -19.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -204.069947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.069947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.069947 (E_RNA)
where:
Base-Base interactions energy: -126.902
where: short stacking energy: -61.987
Base-Backbone interact. energy: -0.357
local terms energy: -76.811104
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -20.809
flat angles P-C4'-P energy: -8.195
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: 6
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -184.793886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.793886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.793886 (E_RNA)
where:
Base-Base interactions energy: -118.799
where: short stacking energy: -60.217
Base-Backbone interact. energy: -0.034
local terms energy: -65.961359
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -17.948
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -14.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -162.661430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.661430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.661430 (E_RNA)
where:
Base-Base interactions energy: -99.480
where: short stacking energy: -59.736
Base-Backbone interact. energy: -0.062
local terms energy: -63.119527
where:
bonds (distance) C4'-P energy: -9.103
bonds (distance) P-C4' energy: -18.512
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -14.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -137.948053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.948053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.948053 (E_RNA)
where:
Base-Base interactions energy: -78.886
where: short stacking energy: -32.809
Base-Backbone interact. energy: -0.822
local terms energy: -58.239556
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -12.583
flat angles C4'-P-C4' energy: -11.992
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -5.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -112.834774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.834774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.834774 (E_RNA)
where:
Base-Base interactions energy: -47.228
where: short stacking energy: -21.909
Base-Backbone interact. energy: -0.294
local terms energy: -65.312730
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -18.509
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -9.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -91.956195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.956195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.956195 (E_RNA)
where:
Base-Base interactions energy: -27.809
where: short stacking energy: -27.764
Base-Backbone interact. energy: 1.135
local terms energy: -65.281464
where:
bonds (distance) C4'-P energy: -17.312
bonds (distance) P-C4' energy: -17.465
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -6.542
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: 10, replica: 2
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -95.101238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.101238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.101238 (E_RNA)
where:
Base-Base interactions energy: -40.906
where: short stacking energy: -32.268
Base-Backbone interact. energy: -0.099
local terms energy: -54.096170
where:
bonds (distance) C4'-P energy: -10.413
bonds (distance) P-C4' energy: -13.493
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -2.623
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: 456
Temperature: 0.900000
Total energy: -220.314167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.314167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.314167 (E_RNA)
where:
Base-Base interactions energy: -139.242
where: short stacking energy: -73.039
Base-Backbone interact. energy: -0.077
local terms energy: -80.994495
where:
bonds (distance) C4'-P energy: -18.797
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -19.023
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -17.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -220.087794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.087794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.087794 (E_RNA)
where:
Base-Base interactions energy: -134.877
where: short stacking energy: -78.478
Base-Backbone interact. energy: -0.114
local terms energy: -85.097039
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -14.791
flat angles P-C4'-P energy: -15.931
tors. eta vs tors. theta energy: -18.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -204.569957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.569957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.569957 (E_RNA)
where:
Base-Base interactions energy: -127.657
where: short stacking energy: -66.816
Base-Backbone interact. energy: -0.114
local terms energy: -76.798526
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -18.627
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -6.952
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: 8
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -205.442295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.442295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.442295 (E_RNA)
where:
Base-Base interactions energy: -121.785
where: short stacking energy: -60.605
Base-Backbone interact. energy: -0.106
local terms energy: -83.551659
where:
bonds (distance) C4'-P energy: -17.473
bonds (distance) P-C4' energy: -17.158
flat angles C4'-P-C4' energy: -17.992
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -19.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -213.881148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.881148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.881148 (E_RNA)
where:
Base-Base interactions energy: -136.329
where: short stacking energy: -74.904
Base-Backbone interact. energy: -0.075
local terms energy: -77.477293
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -19.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -186.111197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.111197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.111197 (E_RNA)
where:
Base-Base interactions energy: -115.777
where: short stacking energy: -53.666
Base-Backbone interact. energy: -0.468
local terms energy: -69.866207
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -17.745
flat angles C4'-P-C4' energy: -19.273
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -11.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -149.648932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.648932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.648932 (E_RNA)
where:
Base-Base interactions energy: -85.992
where: short stacking energy: -49.217
Base-Backbone interact. energy: 0.129
local terms energy: -63.785537
where:
bonds (distance) C4'-P energy: -10.983
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -12.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -107.829960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.829960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.829960 (E_RNA)
where:
Base-Base interactions energy: -45.646
where: short stacking energy: -45.646
Base-Backbone interact. energy: -0.023
local terms energy: -62.160969
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -16.127
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -14.331
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: 2
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -97.316218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.316218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.316218 (E_RNA)
where:
Base-Base interactions energy: -38.752
where: short stacking energy: -38.752
Base-Backbone interact. energy: -0.049
local terms energy: -58.515553
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -7.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -87.206098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.206098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.206098 (E_RNA)
where:
Base-Base interactions energy: -34.781
where: short stacking energy: -29.830
Base-Backbone interact. energy: 0.496
local terms energy: -52.920251
where:
bonds (distance) C4'-P energy: -10.572
bonds (distance) P-C4' energy: -18.303
flat angles C4'-P-C4' energy: -9.186
flat angles P-C4'-P energy: -6.734
tors. eta vs tors. theta energy: -8.125
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: 3
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -221.688408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.688408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.688408 (E_RNA)
where:
Base-Base interactions energy: -137.591
where: short stacking energy: -69.095
Base-Backbone interact. energy: -0.149
local terms energy: -83.947987
where:
bonds (distance) C4'-P energy: -17.126
bonds (distance) P-C4' energy: -18.787
flat angles C4'-P-C4' energy: -17.795
flat angles P-C4'-P energy: -12.184
tors. eta vs tors. theta energy: -18.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -224.591030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.591030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.591030 (E_RNA)
where:
Base-Base interactions energy: -143.085
where: short stacking energy: -75.459
Base-Backbone interact. energy: -0.092
local terms energy: -81.414672
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -17.984
flat angles P-C4'-P energy: -10.447
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: 3, replica: 5
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -194.204103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.204103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.204103 (E_RNA)
where:
Base-Base interactions energy: -121.846
where: short stacking energy: -58.125
Base-Backbone interact. energy: -0.440
local terms energy: -71.917424
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -13.478
tors. eta vs tors. theta energy: -11.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -194.233515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.233515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.233515 (E_RNA)
where:
Base-Base interactions energy: -121.202
where: short stacking energy: -42.745
Base-Backbone interact. energy: -0.222
local terms energy: -72.809917
where:
bonds (distance) C4'-P energy: -20.987
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -18.105
flat angles P-C4'-P energy: -6.463
tors. eta vs tors. theta energy: -9.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -190.127273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.127273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.127273 (E_RNA)
where:
Base-Base interactions energy: -117.185
where: short stacking energy: -59.620
Base-Backbone interact. energy: 3.001
local terms energy: -75.943635
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -18.742
flat angles P-C4'-P energy: -15.142
tors. eta vs tors. theta energy: -11.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -190.184417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.184417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.184417 (E_RNA)
where:
Base-Base interactions energy: -120.434
where: short stacking energy: -50.272
Base-Backbone interact. energy: -0.281
local terms energy: -69.469934
where:
bonds (distance) C4'-P energy: -17.290
bonds (distance) P-C4' energy: -17.064
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -6.826
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: 7
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -172.740609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.740609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.740609 (E_RNA)
where:
Base-Base interactions energy: -103.388
where: short stacking energy: -50.107
Base-Backbone interact. energy: -0.305
local terms energy: -69.047707
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -12.842
tors. eta vs tors. theta energy: -15.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -127.614423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.614423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.614423 (E_RNA)
where:
Base-Base interactions energy: -65.765
where: short stacking energy: -33.249
Base-Backbone interact. energy: -0.198
local terms energy: -61.651041
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -20.202
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -7.707
tors. eta vs tors. theta energy: -5.379
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: 1
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -92.895797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.895797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.895797 (E_RNA)
where:
Base-Base interactions energy: -36.505
where: short stacking energy: -36.505
Base-Backbone interact. energy: -0.141
local terms energy: -56.249623
where:
bonds (distance) C4'-P energy: -18.156
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -9.475
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -5.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -84.058150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.058150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.058150 (E_RNA)
where:
Base-Base interactions energy: -29.945
where: short stacking energy: -29.739
Base-Backbone interact. energy: -0.253
local terms energy: -53.860674
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -13.875
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -2.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -234.687741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.687741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.687741 (E_RNA)
where:
Base-Base interactions energy: -143.686
where: short stacking energy: -73.316
Base-Backbone interact. energy: -0.105
local terms energy: -90.896955
where:
bonds (distance) C4'-P energy: -16.832
bonds (distance) P-C4' energy: -19.932
flat angles C4'-P-C4' energy: -18.390
flat angles P-C4'-P energy: -13.004
tors. eta vs tors. theta energy: -22.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -227.106878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.106878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.106878 (E_RNA)
where:
Base-Base interactions energy: -141.156
where: short stacking energy: -80.012
Base-Backbone interact. energy: -0.047
local terms energy: -85.903251
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -18.459
flat angles C4'-P-C4' energy: -18.945
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -22.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -206.022633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.022633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.022633 (E_RNA)
where:
Base-Base interactions energy: -130.033
where: short stacking energy: -60.160
Base-Backbone interact. energy: 1.266
local terms energy: -77.255670
where:
bonds (distance) C4'-P energy: -16.463
bonds (distance) P-C4' energy: -18.505
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -16.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -204.432493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.432493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.432493 (E_RNA)
where:
Base-Base interactions energy: -132.036
where: short stacking energy: -64.895
Base-Backbone interact. energy: -0.042
local terms energy: -72.354448
where:
bonds (distance) C4'-P energy: -18.160
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -14.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -190.085176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.085176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.085176 (E_RNA)
where:
Base-Base interactions energy: -117.952
where: short stacking energy: -51.457
Base-Backbone interact. energy: -0.292
local terms energy: -71.840976
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -14.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -167.262839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.262839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.262839 (E_RNA)
where:
Base-Base interactions energy: -106.716
where: short stacking energy: -51.597
Base-Backbone interact. energy: -0.165
local terms energy: -60.381692
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -8.514
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -12.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -179.526643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.526643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.526643 (E_RNA)
where:
Base-Base interactions energy: -112.567
where: short stacking energy: -51.987
Base-Backbone interact. energy: -0.178
local terms energy: -66.781403
where:
bonds (distance) C4'-P energy: -9.114
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -12.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -105.664237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.664237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.664237 (E_RNA)
where:
Base-Base interactions energy: -44.706
where: short stacking energy: -31.953
Base-Backbone interact. energy: -0.489
local terms energy: -60.468783
where:
bonds (distance) C4'-P energy: -11.283
bonds (distance) P-C4' energy: -20.187
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -4.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -127.807172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.807172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.807172 (E_RNA)
where:
Base-Base interactions energy: -77.142
where: short stacking energy: -34.832
Base-Backbone interact. energy: 0.321
local terms energy: -50.986597
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -5.469
tors. eta vs tors. theta energy: -4.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -88.714991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.714991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.714991 (E_RNA)
where:
Base-Base interactions energy: -30.503
where: short stacking energy: -28.093
Base-Backbone interact. energy: -0.551
local terms energy: -57.661475
where:
bonds (distance) C4'-P energy: -11.351
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -7.006
tors. eta vs tors. theta energy: -7.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -234.003720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.003720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.003720 (E_RNA)
where:
Base-Base interactions energy: -146.892
where: short stacking energy: -74.233
Base-Backbone interact. energy: -0.099
local terms energy: -87.012302
where:
bonds (distance) C4'-P energy: -18.629
bonds (distance) P-C4' energy: -18.085
flat angles C4'-P-C4' energy: -17.464
flat angles P-C4'-P energy: -14.062
tors. eta vs tors. theta energy: -18.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -222.112041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.112041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.112041 (E_RNA)
where:
Base-Base interactions energy: -153.457
where: short stacking energy: -71.414
Base-Backbone interact. energy: -0.056
local terms energy: -68.599190
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -12.579
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -12.888
tors. eta vs tors. theta energy: -16.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -206.822452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.822452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.822452 (E_RNA)
where:
Base-Base interactions energy: -126.693
where: short stacking energy: -72.967
Base-Backbone interact. energy: -0.066
local terms energy: -80.063500
where:
bonds (distance) C4'-P energy: -19.319
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -17.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -192.971564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.971564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.971564 (E_RNA)
where:
Base-Base interactions energy: -115.516
where: short stacking energy: -53.871
Base-Backbone interact. energy: -0.020
local terms energy: -77.435496
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -19.641
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -13.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -190.106105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.106105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.106105 (E_RNA)
where:
Base-Base interactions energy: -117.302
where: short stacking energy: -57.647
Base-Backbone interact. energy: 1.817
local terms energy: -74.620353
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -19.349
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -13.022
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: 6, replica: 7
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -184.417104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.417104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.417104 (E_RNA)
where:
Base-Base interactions energy: -116.043
where: short stacking energy: -59.077
Base-Backbone interact. energy: 0.122
local terms energy: -68.496258
where:
bonds (distance) C4'-P energy: -10.595
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -17.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -174.436257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.436257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.436257 (E_RNA)
where:
Base-Base interactions energy: -119.520
where: short stacking energy: -45.500
Base-Backbone interact. energy: -0.290
local terms energy: -54.626671
where:
bonds (distance) C4'-P energy: -10.137
bonds (distance) P-C4' energy: -10.757
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -10.477
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: 8, replica: 1
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -140.788967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.788967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.788967 (E_RNA)
where:
Base-Base interactions energy: -77.567
where: short stacking energy: -40.888
Base-Backbone interact. energy: 0.907
local terms energy: -64.129279
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -7.009
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: 459
Temperature: 1.300000
Total energy: -94.166692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.166692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.166692 (E_RNA)
where:
Base-Base interactions energy: -42.530
where: short stacking energy: -40.363
Base-Backbone interact. energy: 1.343
local terms energy: -52.979736
where:
bonds (distance) C4'-P energy: -19.050
bonds (distance) P-C4' energy: -10.721
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -6.814
tors. eta vs tors. theta energy: -3.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -94.531671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.531671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.531671 (E_RNA)
where:
Base-Base interactions energy: -35.868
where: short stacking energy: -35.301
Base-Backbone interact. energy: -0.249
local terms energy: -58.414799
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -15.211
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -5.936
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: 10
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -214.380185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.380185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.380185 (E_RNA)
where:
Base-Base interactions energy: -135.009
where: short stacking energy: -63.471
Base-Backbone interact. energy: -0.282
local terms energy: -79.088810
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -19.006
flat angles C4'-P-C4' energy: -17.923
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -12.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -225.516050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.516050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.516050 (E_RNA)
where:
Base-Base interactions energy: -143.967
where: short stacking energy: -71.422
Base-Backbone interact. energy: -0.082
local terms energy: -81.467960
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -18.554
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -22.116
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: 3, replica: 9
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -203.114406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.114406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.114406 (E_RNA)
where:
Base-Base interactions energy: -128.635
where: short stacking energy: -65.404
Base-Backbone interact. energy: -0.011
local terms energy: -74.467709
where:
bonds (distance) C4'-P energy: -11.276
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -17.452
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: -20.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -184.785927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.785927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.785927 (E_RNA)
where:
Base-Base interactions energy: -111.735
where: short stacking energy: -54.353
Base-Backbone interact. energy: -0.095
local terms energy: -72.956582
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -19.313
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -8.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -197.586633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.586633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.586633 (E_RNA)
where:
Base-Base interactions energy: -120.572
where: short stacking energy: -66.073
Base-Backbone interact. energy: -0.425
local terms energy: -76.589516
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -12.223
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -13.614
tors. eta vs tors. theta energy: -19.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -193.005895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.005895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.005895 (E_RNA)
where:
Base-Base interactions energy: -123.935
where: short stacking energy: -59.147
Base-Backbone interact. energy: -0.309
local terms energy: -68.761637
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -13.819
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -11.360
tors. eta vs tors. theta energy: -13.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -169.652897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.652897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.652897 (E_RNA)
where:
Base-Base interactions energy: -99.880
where: short stacking energy: -52.953
Base-Backbone interact. energy: -0.003
local terms energy: -69.770327
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -19.570
flat angles C4'-P-C4' energy: -10.527
flat angles P-C4'-P energy: -11.709
tors. eta vs tors. theta energy: -12.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -146.678765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.678765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.678765 (E_RNA)
where:
Base-Base interactions energy: -84.675
where: short stacking energy: -43.905
Base-Backbone interact. energy: -0.355
local terms energy: -61.649108
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -12.128
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -7.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -100.104591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.104591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.104591 (E_RNA)
where:
Base-Base interactions energy: -35.841
where: short stacking energy: -33.188
Base-Backbone interact. energy: 1.472
local terms energy: -65.735894
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -19.547
flat angles P-C4'-P energy: -13.565
tors. eta vs tors. theta energy: -3.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -121.037323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.037323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.037323 (E_RNA)
where:
Base-Base interactions energy: -74.204
where: short stacking energy: -33.687
Base-Backbone interact. energy: 0.586
local terms energy: -47.419189
where:
bonds (distance) C4'-P energy: -3.246
bonds (distance) P-C4' energy: -18.953
flat angles C4'-P-C4' energy: -8.199
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -7.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -221.750263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.750263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.750263 (E_RNA)
where:
Base-Base interactions energy: -143.592
where: short stacking energy: -77.019
Base-Backbone interact. energy: -0.088
local terms energy: -78.069983
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -17.725
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -14.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -211.074861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.074861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.074861 (E_RNA)
where:
Base-Base interactions energy: -135.839
where: short stacking energy: -74.921
Base-Backbone interact. energy: -0.010
local terms energy: -75.226566
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -16.742
flat angles C4'-P-C4' energy: -18.372
flat angles P-C4'-P energy: -4.847
tors. eta vs tors. theta energy: -21.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -202.501878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.501878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.501878 (E_RNA)
where:
Base-Base interactions energy: -131.528
where: short stacking energy: -63.396
Base-Backbone interact. energy: -0.295
local terms energy: -70.678210
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -12.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -210.229341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.229341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.229341 (E_RNA)
where:
Base-Base interactions energy: -128.002
where: short stacking energy: -61.552
Base-Backbone interact. energy: -0.165
local terms energy: -82.062661
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -20.834
flat angles C4'-P-C4' energy: -18.322
flat angles P-C4'-P energy: -13.310
tors. eta vs tors. theta energy: -14.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -186.962615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.962615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.962615 (E_RNA)
where:
Base-Base interactions energy: -113.935
where: short stacking energy: -52.687
Base-Backbone interact. energy: -0.108
local terms energy: -72.919294
where:
bonds (distance) C4'-P energy: -18.861
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -13.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -180.672643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.672643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.672643 (E_RNA)
where:
Base-Base interactions energy: -110.413
where: short stacking energy: -63.752
Base-Backbone interact. energy: -0.107
local terms energy: -70.152623
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -17.463
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -14.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -170.387606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.387606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.387606 (E_RNA)
where:
Base-Base interactions energy: -105.134
where: short stacking energy: -48.722
Base-Backbone interact. energy: -0.277
local terms energy: -64.976033
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -13.263
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: 1
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -148.106061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.106061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.106061 (E_RNA)
where:
Base-Base interactions energy: -94.170
where: short stacking energy: -49.791
Base-Backbone interact. energy: -0.075
local terms energy: -53.861155
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -17.676
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -1.404
tors. eta vs tors. theta energy: -7.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -98.624789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.624789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.624789 (E_RNA)
where:
Base-Base interactions energy: -39.241
where: short stacking energy: -30.944
Base-Backbone interact. energy: -0.282
local terms energy: -59.102170
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -10.123
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: -6.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -87.477288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.477288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.477288 (E_RNA)
where:
Base-Base interactions energy: -31.218
where: short stacking energy: -31.218
Base-Backbone interact. energy: -0.226
local terms energy: -56.033441
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -4.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -221.885693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.885693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.885693 (E_RNA)
where:
Base-Base interactions energy: -136.963
where: short stacking energy: -68.826
Base-Backbone interact. energy: -0.030
local terms energy: -84.893549
where:
bonds (distance) C4'-P energy: -18.128
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -12.060
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: 2, replica: 10
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -221.659234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.659234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.659234 (E_RNA)
where:
Base-Base interactions energy: -138.303
where: short stacking energy: -76.752
Base-Backbone interact. energy: -0.077
local terms energy: -83.279009
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -20.448
flat angles C4'-P-C4' energy: -17.773
flat angles P-C4'-P energy: -14.450
tors. eta vs tors. theta energy: -15.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -210.270354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.270354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.270354 (E_RNA)
where:
Base-Base interactions energy: -136.781
where: short stacking energy: -67.431
Base-Backbone interact. energy: -0.342
local terms energy: -73.147668
where:
bonds (distance) C4'-P energy: -13.930
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: -15.938
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: 7
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -201.759084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.759084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.759084 (E_RNA)
where:
Base-Base interactions energy: -125.432
where: short stacking energy: -65.674
Base-Backbone interact. energy: -0.115
local terms energy: -76.212346
where:
bonds (distance) C4'-P energy: -14.945
bonds (distance) P-C4' energy: -11.456
flat angles C4'-P-C4' energy: -18.941
flat angles P-C4'-P energy: -10.857
tors. eta vs tors. theta energy: -20.013
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: 5
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -197.773693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.773693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.773693 (E_RNA)
where:
Base-Base interactions energy: -126.980
where: short stacking energy: -64.817
Base-Backbone interact. energy: -0.210
local terms energy: -70.584366
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -15.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -164.836320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.836320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.836320 (E_RNA)
where:
Base-Base interactions energy: -97.303
where: short stacking energy: -58.461
Base-Backbone interact. energy: -0.073
local terms energy: -67.459642
where:
bonds (distance) C4'-P energy: -15.847
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -16.806
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -10.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -142.075892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.075892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.075892 (E_RNA)
where:
Base-Base interactions energy: -82.096
where: short stacking energy: -50.679
Base-Backbone interact. energy: 1.725
local terms energy: -61.704764
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -19.725
flat angles C4'-P-C4' energy: -11.755
flat angles P-C4'-P energy: -7.596
tors. eta vs tors. theta energy: -5.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -175.329713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.329713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.329713 (E_RNA)
where:
Base-Base interactions energy: -103.872
where: short stacking energy: -54.340
Base-Backbone interact. energy: -0.051
local terms energy: -71.407099
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -15.199
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: 9, replica: 4
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -99.688081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.688081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.688081 (E_RNA)
where:
Base-Base interactions energy: -46.189
where: short stacking energy: -29.376
Base-Backbone interact. energy: -0.520
local terms energy: -52.979387
where:
bonds (distance) C4'-P energy: -19.796
bonds (distance) P-C4' energy: -12.279
flat angles C4'-P-C4' energy: -10.044
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -2.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -82.608102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.608102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.608102 (E_RNA)
where:
Base-Base interactions energy: -35.614
where: short stacking energy: -35.486
Base-Backbone interact. energy: 1.465
local terms energy: -48.459418
where:
bonds (distance) C4'-P energy: -18.073
bonds (distance) P-C4' energy: -12.163
flat angles C4'-P-C4' energy: -13.319
flat angles P-C4'-P energy: -5.684
tors. eta vs tors. theta energy: 0.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -224.493908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.493908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.493908 (E_RNA)
where:
Base-Base interactions energy: -139.726
where: short stacking energy: -69.466
Base-Backbone interact. energy: -0.098
local terms energy: -84.669562
where:
bonds (distance) C4'-P energy: -17.753
bonds (distance) P-C4' energy: -16.592
flat angles C4'-P-C4' energy: -18.317
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -19.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -218.674195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.674195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.674195 (E_RNA)
where:
Base-Base interactions energy: -132.180
where: short stacking energy: -73.598
Base-Backbone interact. energy: -0.153
local terms energy: -86.341198
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -19.293
flat angles P-C4'-P energy: -16.735
tors. eta vs tors. theta energy: -20.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -202.059990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.059990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.059990 (E_RNA)
where:
Base-Base interactions energy: -124.571
where: short stacking energy: -67.508
Base-Backbone interact. energy: -0.081
local terms energy: -77.408572
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -19.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -194.124022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.124022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.124022 (E_RNA)
where:
Base-Base interactions energy: -119.049
where: short stacking energy: -62.660
Base-Backbone interact. energy: -0.181
local terms energy: -74.894333
where:
bonds (distance) C4'-P energy: -18.831
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -15.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -207.521373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.521373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.521373 (E_RNA)
where:
Base-Base interactions energy: -139.338
where: short stacking energy: -64.410
Base-Backbone interact. energy: -0.186
local terms energy: -67.997928
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -5.390
tors. eta vs tors. theta energy: -12.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -145.726344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.726344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.726344 (E_RNA)
where:
Base-Base interactions energy: -71.822
where: short stacking energy: -37.907
Base-Backbone interact. energy: -0.307
local terms energy: -73.597258
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -19.279
flat angles P-C4'-P energy: -14.027
tors. eta vs tors. theta energy: -5.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -154.368610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.368610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.368610 (E_RNA)
where:
Base-Base interactions energy: -86.982
where: short stacking energy: -36.955
Base-Backbone interact. energy: -0.195
local terms energy: -67.191440
where:
bonds (distance) C4'-P energy: -18.781
bonds (distance) P-C4' energy: -16.541
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -7.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -102.995535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.995535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.995535 (E_RNA)
where:
Base-Base interactions energy: -50.950
where: short stacking energy: -27.817
Base-Backbone interact. energy: -0.234
local terms energy: -51.812329
where:
bonds (distance) C4'-P energy: -13.231
bonds (distance) P-C4' energy: -13.917
flat angles C4'-P-C4' energy: -6.713
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -7.751
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: 8
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -152.969504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.969504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.969504 (E_RNA)
where:
Base-Base interactions energy: -94.525
where: short stacking energy: -43.047
Base-Backbone interact. energy: -0.363
local terms energy: -58.081503
where:
bonds (distance) C4'-P energy: -16.798
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -6.945
tors. eta vs tors. theta energy: -5.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -106.665956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.665956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.665956 (E_RNA)
where:
Base-Base interactions energy: -37.420
where: short stacking energy: -37.097
Base-Backbone interact. energy: 0.000
local terms energy: -69.245855
where:
bonds (distance) C4'-P energy: -17.727
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -7.373
tors. eta vs tors. theta energy: -8.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -215.382121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.382121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.382121 (E_RNA)
where:
Base-Base interactions energy: -127.051
where: short stacking energy: -73.856
Base-Backbone interact. energy: 0.230
local terms energy: -88.561571
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -21.225
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -20.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -215.682736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.682736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.682736 (E_RNA)
where:
Base-Base interactions energy: -136.564
where: short stacking energy: -69.002
Base-Backbone interact. energy: -0.593
local terms energy: -78.525333
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -16.483
flat angles C4'-P-C4' energy: -18.262
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -16.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -214.801386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.801386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.801386 (E_RNA)
where:
Base-Base interactions energy: -132.495
where: short stacking energy: -75.092
Base-Backbone interact. energy: 0.692
local terms energy: -82.998439
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -20.502
flat angles P-C4'-P energy: -10.616
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: 9
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -219.377856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.377856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.377856 (E_RNA)
where:
Base-Base interactions energy: -145.820
where: short stacking energy: -64.303
Base-Backbone interact. energy: -0.067
local terms energy: -73.491280
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -18.514
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -16.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -199.626652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.626652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.626652 (E_RNA)
where:
Base-Base interactions energy: -122.585
where: short stacking energy: -60.052
Base-Backbone interact. energy: -0.012
local terms energy: -77.029033
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -19.344
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -15.028
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: 1
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -164.050310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.050310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.050310 (E_RNA)
where:
Base-Base interactions energy: -100.663
where: short stacking energy: -47.562
Base-Backbone interact. energy: -0.347
local terms energy: -63.041062
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -20.612
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -3.317
tors. eta vs tors. theta energy: -9.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -150.929348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.929348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.929348 (E_RNA)
where:
Base-Base interactions energy: -89.193
where: short stacking energy: -42.114
Base-Backbone interact. energy: -0.026
local terms energy: -61.711057
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -18.066
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -4.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -103.881681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.881681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.881681 (E_RNA)
where:
Base-Base interactions energy: -39.864
where: short stacking energy: -35.086
Base-Backbone interact. energy: -0.740
local terms energy: -63.277556
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -17.010
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -12.938
tors. eta vs tors. theta energy: -3.652
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: 8
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -159.194643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.194643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.194643 (E_RNA)
where:
Base-Base interactions energy: -100.792
where: short stacking energy: -53.360
Base-Backbone interact. energy: -0.186
local terms energy: -58.216074
where:
bonds (distance) C4'-P energy: -5.768
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -12.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -95.250472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.250472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.250472 (E_RNA)
where:
Base-Base interactions energy: -33.685
where: short stacking energy: -19.907
Base-Backbone interact. energy: -0.285
local terms energy: -61.280809
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -17.060
flat angles C4'-P-C4' energy: -18.257
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -0.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -216.103461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.103461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.103461 (E_RNA)
where:
Base-Base interactions energy: -129.741
where: short stacking energy: -79.445
Base-Backbone interact. energy: -0.445
local terms energy: -85.916737
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -18.479
flat angles P-C4'-P energy: -13.337
tors. eta vs tors. theta energy: -22.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -221.251288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.251288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.251288 (E_RNA)
where:
Base-Base interactions energy: -136.680
where: short stacking energy: -78.499
Base-Backbone interact. energy: -0.027
local terms energy: -84.543930
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -13.596
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: 3, replica: 10
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -213.549727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.549727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.549727 (E_RNA)
where:
Base-Base interactions energy: -131.267
where: short stacking energy: -69.021
Base-Backbone interact. energy: -0.089
local terms energy: -82.193216
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -18.648
flat angles P-C4'-P energy: -11.088
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: 4, replica: 7
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -199.222036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.222036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.222036 (E_RNA)
where:
Base-Base interactions energy: -131.546
where: short stacking energy: -66.281
Base-Backbone interact. energy: -0.089
local terms energy: -67.587686
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -9.897
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -15.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -205.483592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.483592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.483592 (E_RNA)
where:
Base-Base interactions energy: -130.139
where: short stacking energy: -66.615
Base-Backbone interact. energy: -0.030
local terms energy: -75.315156
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -12.918
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -14.962
tors. eta vs tors. theta energy: -16.447
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: 6
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -167.149209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.149209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.149209 (E_RNA)
where:
Base-Base interactions energy: -95.929
where: short stacking energy: -49.843
Base-Backbone interact. energy: -0.401
local terms energy: -70.819587
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: -10.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -159.512485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.512485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.512485 (E_RNA)
where:
Base-Base interactions energy: -97.267
where: short stacking energy: -41.732
Base-Backbone interact. energy: -0.118
local terms energy: -62.126995
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -18.346
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: -5.962
tors. eta vs tors. theta energy: -8.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -160.037915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.037915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.037915 (E_RNA)
where:
Base-Base interactions energy: -83.782
where: short stacking energy: -47.335
Base-Backbone interact. energy: -0.019
local terms energy: -76.237364
where:
bonds (distance) C4'-P energy: -17.718
bonds (distance) P-C4' energy: -19.493
flat angles C4'-P-C4' energy: -17.499
flat angles P-C4'-P energy: -13.546
tors. eta vs tors. theta energy: -7.981
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: 4
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -94.121200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.121200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.121200 (E_RNA)
where:
Base-Base interactions energy: -39.100
where: short stacking energy: -35.580
Base-Backbone interact. energy: -0.543
local terms energy: -54.478263
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -17.328
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -6.947
tors. eta vs tors. theta energy: -2.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -87.418364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.418364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.418364 (E_RNA)
where:
Base-Base interactions energy: -34.006
where: short stacking energy: -34.006
Base-Backbone interact. energy: -0.371
local terms energy: -53.041525
where:
bonds (distance) C4'-P energy: -8.539
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -1.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -219.843615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.843615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.843615 (E_RNA)
where:
Base-Base interactions energy: -134.091
where: short stacking energy: -69.838
Base-Backbone interact. energy: -0.054
local terms energy: -85.699208
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -18.553
flat angles P-C4'-P energy: -15.070
tors. eta vs tors. theta energy: -18.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -209.279305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.279305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.279305 (E_RNA)
where:
Base-Base interactions energy: -127.124
where: short stacking energy: -69.163
Base-Backbone interact. energy: -0.464
local terms energy: -81.690513
where:
bonds (distance) C4'-P energy: -18.114
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -18.149
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -16.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -226.566522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.566522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.566522 (E_RNA)
where:
Base-Base interactions energy: -143.094
where: short stacking energy: -72.024
Base-Backbone interact. energy: 0.275
local terms energy: -83.746805
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -19.051
flat angles P-C4'-P energy: -12.144
tors. eta vs tors. theta energy: -19.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -205.727923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.727923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.727923 (E_RNA)
where:
Base-Base interactions energy: -130.690
where: short stacking energy: -71.533
Base-Backbone interact. energy: -0.078
local terms energy: -74.959276
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -15.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -181.886815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.886815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.886815 (E_RNA)
where:
Base-Base interactions energy: -108.674
where: short stacking energy: -53.602
Base-Backbone interact. energy: -0.382
local terms energy: -72.830738
where:
bonds (distance) C4'-P energy: -19.195
bonds (distance) P-C4' energy: -20.278
flat angles C4'-P-C4' energy: -9.986
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -11.492
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: 9
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -205.204378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.204378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.204378 (E_RNA)
where:
Base-Base interactions energy: -126.755
where: short stacking energy: -74.208
Base-Backbone interact. energy: -0.020
local terms energy: -78.428860
where:
bonds (distance) C4'-P energy: -17.912
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -21.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -146.429017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.429017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.429017 (E_RNA)
where:
Base-Base interactions energy: -87.865
where: short stacking energy: -36.514
Base-Backbone interact. energy: 0.772
local terms energy: -59.336521
where:
bonds (distance) C4'-P energy: -18.074
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -7.511
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: 8, replica: 1
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -154.001212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.001212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.001212 (E_RNA)
where:
Base-Base interactions energy: -92.407
where: short stacking energy: -42.766
Base-Backbone interact. energy: -0.156
local terms energy: -61.438033
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -7.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -129.670426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.670426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.670426 (E_RNA)
where:
Base-Base interactions energy: -69.893
where: short stacking energy: -30.886
Base-Backbone interact. energy: -0.349
local terms energy: -59.427848
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -14.294
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: -3.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -81.839931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.839931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.839931 (E_RNA)
where:
Base-Base interactions energy: -29.527
where: short stacking energy: -29.527
Base-Backbone interact. energy: -0.251
local terms energy: -52.062582
where:
bonds (distance) C4'-P energy: -9.910
bonds (distance) P-C4' energy: -15.264
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -7.870
tors. eta vs tors. theta energy: -3.327
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: 5
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -228.408393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.408393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.408393 (E_RNA)
where:
Base-Base interactions energy: -142.728
where: short stacking energy: -67.255
Base-Backbone interact. energy: -0.840
local terms energy: -84.840371
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -21.381
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -17.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -217.264628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.264628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.264628 (E_RNA)
where:
Base-Base interactions energy: -139.119
where: short stacking energy: -70.012
Base-Backbone interact. energy: -0.051
local terms energy: -78.094054
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -18.804
flat angles P-C4'-P energy: -7.332
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: 3, replica: 7
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -226.649672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.649672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.649672 (E_RNA)
where:
Base-Base interactions energy: -145.972
where: short stacking energy: -66.194
Base-Backbone interact. energy: -0.108
local terms energy: -80.569366
where:
bonds (distance) C4'-P energy: -18.081
bonds (distance) P-C4' energy: -20.423
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -10.037
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: 4, replica: 6
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -210.209868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.209868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.209868 (E_RNA)
where:
Base-Base interactions energy: -122.266
where: short stacking energy: -76.903
Base-Backbone interact. energy: -0.007
local terms energy: -87.937110
where:
bonds (distance) C4'-P energy: -15.536
bonds (distance) P-C4' energy: -19.135
flat angles C4'-P-C4' energy: -19.021
flat angles P-C4'-P energy: -12.955
tors. eta vs tors. theta energy: -21.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -201.573938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.573938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.573938 (E_RNA)
where:
Base-Base interactions energy: -126.608
where: short stacking energy: -72.004
Base-Backbone interact. energy: -0.100
local terms energy: -74.865209
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -18.794
flat angles P-C4'-P energy: -13.979
tors. eta vs tors. theta energy: -17.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -170.565671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.565671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.565671 (E_RNA)
where:
Base-Base interactions energy: -100.492
where: short stacking energy: -45.136
Base-Backbone interact. energy: -0.680
local terms energy: -69.393631
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -19.365
flat angles C4'-P-C4' energy: -18.143
flat angles P-C4'-P energy: -5.081
tors. eta vs tors. theta energy: -13.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -147.340798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.340798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.340798 (E_RNA)
where:
Base-Base interactions energy: -88.386
where: short stacking energy: -53.557
Base-Backbone interact. energy: -0.439
local terms energy: -58.515147
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -17.819
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -6.060
tors. eta vs tors. theta energy: -7.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -142.026848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.026848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.026848 (E_RNA)
where:
Base-Base interactions energy: -85.082
where: short stacking energy: -51.214
Base-Backbone interact. energy: 2.736
local terms energy: -59.680679
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -12.894
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -6.460
tors. eta vs tors. theta energy: -10.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -123.051436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.051436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.051436 (E_RNA)
where:
Base-Base interactions energy: -75.734
where: short stacking energy: -42.876
Base-Backbone interact. energy: 2.009
local terms energy: -49.326429
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -10.497
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -6.726
tors. eta vs tors. theta energy: -5.663
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: 4
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -80.874021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.874021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.874021 (E_RNA)
where:
Base-Base interactions energy: -32.306
where: short stacking energy: -32.306
Base-Backbone interact. energy: -0.457
local terms energy: -48.111076
where:
bonds (distance) C4'-P energy: -9.359
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -17.508
flat angles P-C4'-P energy: -6.054
tors. eta vs tors. theta energy: 3.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -232.033218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.033218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.033218 (E_RNA)
where:
Base-Base interactions energy: -151.834
where: short stacking energy: -73.073
Base-Backbone interact. energy: -0.110
local terms energy: -80.088879
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -17.488
flat angles P-C4'-P energy: -11.641
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: 2, replica: 5
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -226.428431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.428431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.428431 (E_RNA)
where:
Base-Base interactions energy: -141.353
where: short stacking energy: -74.220
Base-Backbone interact. energy: -0.015
local terms energy: -85.060446
where:
bonds (distance) C4'-P energy: -17.117
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -16.280
flat angles P-C4'-P energy: -14.029
tors. eta vs tors. theta energy: -19.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -214.855947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.855947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.855947 (E_RNA)
where:
Base-Base interactions energy: -129.578
where: short stacking energy: -68.722
Base-Backbone interact. energy: -0.030
local terms energy: -85.247929
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -18.992
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -22.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -230.297525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.297525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.297525 (E_RNA)
where:
Base-Base interactions energy: -155.501
where: short stacking energy: -74.374
Base-Backbone interact. energy: 0.849
local terms energy: -75.645222
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -19.077
flat angles C4'-P-C4' energy: -17.369
flat angles P-C4'-P energy: -6.147
tors. eta vs tors. theta energy: -19.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -182.764727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.764727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.764727 (E_RNA)
where:
Base-Base interactions energy: -110.781
where: short stacking energy: -48.174
Base-Backbone interact. energy: -0.155
local terms energy: -71.828646
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -17.546
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -11.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -205.954194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.954194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.954194 (E_RNA)
where:
Base-Base interactions energy: -138.676
where: short stacking energy: -60.622
Base-Backbone interact. energy: -0.087
local terms energy: -67.190650
where:
bonds (distance) C4'-P energy: -6.308
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -16.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -153.896659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.896659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.896659 (E_RNA)
where:
Base-Base interactions energy: -81.522
where: short stacking energy: -43.508
Base-Backbone interact. energy: -0.404
local terms energy: -71.971320
where:
bonds (distance) C4'-P energy: -18.889
bonds (distance) P-C4' energy: -18.063
flat angles C4'-P-C4' energy: -16.753
flat angles P-C4'-P energy: -6.946
tors. eta vs tors. theta energy: -11.320
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: 8, replica: 8
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -139.119562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.119562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.119562 (E_RNA)
where:
Base-Base interactions energy: -85.219
where: short stacking energy: -48.697
Base-Backbone interact. energy: -0.766
local terms energy: -53.134231
where:
bonds (distance) C4'-P energy: -17.406
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -8.012
flat angles P-C4'-P energy: -7.141
tors. eta vs tors. theta energy: -6.257
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: 9, replica: 4
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -100.780673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.780673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.780673 (E_RNA)
where:
Base-Base interactions energy: -38.519
where: short stacking energy: -38.519
Base-Backbone interact. energy: -0.115
local terms energy: -62.145715
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -12.208
flat angles C4'-P-C4' energy: -17.692
flat angles P-C4'-P energy: -9.125
tors. eta vs tors. theta energy: -5.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -123.278210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.278210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.278210 (E_RNA)
where:
Base-Base interactions energy: -67.554
where: short stacking energy: -28.491
Base-Backbone interact. energy: 0.186
local terms energy: -55.910307
where:
bonds (distance) C4'-P energy: -7.271
bonds (distance) P-C4' energy: -19.138
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -0.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -227.143404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.143404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.143404 (E_RNA)
where:
Base-Base interactions energy: -141.327
where: short stacking energy: -73.090
Base-Backbone interact. energy: -0.063
local terms energy: -85.754042
where:
bonds (distance) C4'-P energy: -17.026
bonds (distance) P-C4' energy: -19.449
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -23.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -230.419300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.419300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.419300 (E_RNA)
where:
Base-Base interactions energy: -144.763
where: short stacking energy: -80.562
Base-Backbone interact. energy: -0.101
local terms energy: -85.555297
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -20.593
flat angles P-C4'-P energy: -11.693
tors. eta vs tors. theta energy: -20.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -216.748699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.748699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.748699 (E_RNA)
where:
Base-Base interactions energy: -132.990
where: short stacking energy: -75.176
Base-Backbone interact. energy: -0.010
local terms energy: -83.749478
where:
bonds (distance) C4'-P energy: -18.289
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -18.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -207.734055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.734055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.734055 (E_RNA)
where:
Base-Base interactions energy: -137.823
where: short stacking energy: -58.809
Base-Backbone interact. energy: 0.096
local terms energy: -70.006973
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -14.208
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: 9
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -193.689526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.689526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.689526 (E_RNA)
where:
Base-Base interactions energy: -115.772
where: short stacking energy: -69.592
Base-Backbone interact. energy: 0.188
local terms energy: -78.105840
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -20.662
flat angles C4'-P-C4' energy: -18.293
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -15.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -196.978544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.978544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.978544 (E_RNA)
where:
Base-Base interactions energy: -123.772
where: short stacking energy: -66.759
Base-Backbone interact. energy: -0.046
local terms energy: -73.160616
where:
bonds (distance) C4'-P energy: -9.603
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -18.535
flat angles P-C4'-P energy: -12.935
tors. eta vs tors. theta energy: -15.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -181.442110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.442110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.442110 (E_RNA)
where:
Base-Base interactions energy: -109.356
where: short stacking energy: -51.896
Base-Backbone interact. energy: -0.109
local terms energy: -71.977682
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -14.397
tors. eta vs tors. theta energy: -9.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -133.284291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.284291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.284291 (E_RNA)
where:
Base-Base interactions energy: -77.052
where: short stacking energy: -40.730
Base-Backbone interact. energy: -0.230
local terms energy: -56.002423
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -6.413
flat angles P-C4'-P energy: -9.874
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: 9, replica: 4
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -94.372623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.372623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.372623 (E_RNA)
where:
Base-Base interactions energy: -30.115
where: short stacking energy: -26.822
Base-Backbone interact. energy: -0.182
local terms energy: -64.075760
where:
bonds (distance) C4'-P energy: -14.093
bonds (distance) P-C4' energy: -20.441
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: -2.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -84.219482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.219482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.219482 (E_RNA)
where:
Base-Base interactions energy: -37.472
where: short stacking energy: -30.591
Base-Backbone interact. energy: -0.220
local terms energy: -46.527827
where:
bonds (distance) C4'-P energy: -11.090
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: 1.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -227.003963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.003963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.003963 (E_RNA)
where:
Base-Base interactions energy: -143.660
where: short stacking energy: -80.428
Base-Backbone interact. energy: -0.083
local terms energy: -83.261675
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -19.609
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -23.491
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: 2, replica: 3
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -223.531470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.531470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.531470 (E_RNA)
where:
Base-Base interactions energy: -150.087
where: short stacking energy: -70.988
Base-Backbone interact. energy: -0.085
local terms energy: -73.359068
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -19.239
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -7.797
tors. eta vs tors. theta energy: -16.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -218.902095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.902095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.902095 (E_RNA)
where:
Base-Base interactions energy: -136.847
where: short stacking energy: -71.781
Base-Backbone interact. energy: -0.053
local terms energy: -82.001988
where:
bonds (distance) C4'-P energy: -12.453
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -18.530
flat angles P-C4'-P energy: -14.749
tors. eta vs tors. theta energy: -18.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -210.301837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.301837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.301837 (E_RNA)
where:
Base-Base interactions energy: -137.320
where: short stacking energy: -61.371
Base-Backbone interact. energy: -0.107
local terms energy: -72.875671
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -18.447
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -15.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -193.405351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.405351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.405351 (E_RNA)
where:
Base-Base interactions energy: -119.871
where: short stacking energy: -49.727
Base-Backbone interact. energy: -0.177
local terms energy: -73.357090
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -19.241
flat angles C4'-P-C4' energy: -17.798
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -12.191
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: 6, replica: 9
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -189.498110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.498110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.498110 (E_RNA)
where:
Base-Base interactions energy: -115.332
where: short stacking energy: -66.667
Base-Backbone interact. energy: -0.496
local terms energy: -73.670513
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -17.198
flat angles P-C4'-P energy: -13.654
tors. eta vs tors. theta energy: -15.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -156.662340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.662340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.662340 (E_RNA)
where:
Base-Base interactions energy: -81.131
where: short stacking energy: -39.070
Base-Backbone interact. energy: -0.012
local terms energy: -75.519271
where:
bonds (distance) C4'-P energy: -18.135
bonds (distance) P-C4' energy: -19.074
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -13.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -178.199806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.199806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.199806 (E_RNA)
where:
Base-Base interactions energy: -105.459
where: short stacking energy: -57.126
Base-Backbone interact. energy: -0.046
local terms energy: -72.695469
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -15.161
flat angles C4'-P-C4' energy: -20.090
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -12.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -104.056004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.056004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.056004 (E_RNA)
where:
Base-Base interactions energy: -38.971
where: short stacking energy: -25.603
Base-Backbone interact. energy: -0.116
local terms energy: -64.968558
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -18.330
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -5.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -78.850380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.850380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.850380 (E_RNA)
where:
Base-Base interactions energy: -31.977
where: short stacking energy: -31.977
Base-Backbone interact. energy: -0.290
local terms energy: -46.582699
where:
bonds (distance) C4'-P energy: -3.430
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -17.687
flat angles P-C4'-P energy: -4.040
tors. eta vs tors. theta energy: -5.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -232.225369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.225369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.225369 (E_RNA)
where:
Base-Base interactions energy: -145.924
where: short stacking energy: -82.578
Base-Backbone interact. energy: -0.078
local terms energy: -86.223488
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -19.125
flat angles C4'-P-C4' energy: -18.088
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -21.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -234.794326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.794326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.794326 (E_RNA)
where:
Base-Base interactions energy: -154.764
where: short stacking energy: -76.824
Base-Backbone interact. energy: -0.100
local terms energy: -79.930428
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -20.009
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -17.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -210.950685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.950685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.950685 (E_RNA)
where:
Base-Base interactions energy: -124.375
where: short stacking energy: -67.923
Base-Backbone interact. energy: -0.071
local terms energy: -86.504732
where:
bonds (distance) C4'-P energy: -16.921
bonds (distance) P-C4' energy: -19.492
flat angles C4'-P-C4' energy: -21.054
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -19.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -207.032855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.032855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.032855 (E_RNA)
where:
Base-Base interactions energy: -129.885
where: short stacking energy: -65.344
Base-Backbone interact. energy: -0.303
local terms energy: -76.844535
where:
bonds (distance) C4'-P energy: -17.572
bonds (distance) P-C4' energy: -21.125
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -9.025
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: 5, replica: 10
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -195.328288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.328288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.328288 (E_RNA)
where:
Base-Base interactions energy: -114.898
where: short stacking energy: -43.328
Base-Backbone interact. energy: 0.466
local terms energy: -80.895808
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -18.291
flat angles C4'-P-C4' energy: -17.734
flat angles P-C4'-P energy: -14.280
tors. eta vs tors. theta energy: -12.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -183.312416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.312416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.312416 (E_RNA)
where:
Base-Base interactions energy: -105.476
where: short stacking energy: -46.871
Base-Backbone interact. energy: -0.030
local terms energy: -77.806204
where:
bonds (distance) C4'-P energy: -17.898
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -18.152
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -15.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -154.744456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.744456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.744456 (E_RNA)
where:
Base-Base interactions energy: -94.685
where: short stacking energy: -53.883
Base-Backbone interact. energy: -0.499
local terms energy: -59.560755
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -6.481
tors. eta vs tors. theta energy: -8.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -181.435729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.435729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.435729 (E_RNA)
where:
Base-Base interactions energy: -110.810
where: short stacking energy: -55.609
Base-Backbone interact. energy: -0.034
local terms energy: -70.591528
where:
bonds (distance) C4'-P energy: -19.750
bonds (distance) P-C4' energy: -11.843
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -15.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -88.033876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.033876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.033876 (E_RNA)
where:
Base-Base interactions energy: -31.962
where: short stacking energy: -26.557
Base-Backbone interact. energy: -0.186
local terms energy: -55.886416
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -11.964
flat angles P-C4'-P energy: -6.887
tors. eta vs tors. theta energy: -4.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -101.005383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.005383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.005383 (E_RNA)
where:
Base-Base interactions energy: -34.055
where: short stacking energy: -33.232
Base-Backbone interact. energy: -0.113
local terms energy: -66.837883
where:
bonds (distance) C4'-P energy: -18.238
bonds (distance) P-C4' energy: -18.893
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -6.375
tors. eta vs tors. theta energy: -7.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -234.250925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.250925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.250925 (E_RNA)
where:
Base-Base interactions energy: -157.194
where: short stacking energy: -77.898
Base-Backbone interact. energy: 0.249
local terms energy: -77.305497
where:
bonds (distance) C4'-P energy: -10.173
bonds (distance) P-C4' energy: -18.042
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -21.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -225.658533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.658533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.658533 (E_RNA)
where:
Base-Base interactions energy: -141.171
where: short stacking energy: -64.531
Base-Backbone interact. energy: -0.011
local terms energy: -84.476592
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -19.028
flat angles C4'-P-C4' energy: -18.704
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -20.639
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: 3, replica: 7
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -206.624217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.624217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.624217 (E_RNA)
where:
Base-Base interactions energy: -126.478
where: short stacking energy: -71.311
Base-Backbone interact. energy: -0.086
local terms energy: -80.060814
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -18.461
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -19.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -205.294646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.294646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.294646 (E_RNA)
where:
Base-Base interactions energy: -127.659
where: short stacking energy: -66.056
Base-Backbone interact. energy: -0.248
local terms energy: -77.387993
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -16.867
flat angles C4'-P-C4' energy: -17.495
flat angles P-C4'-P energy: -11.074
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: 10
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -197.852546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.852546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.852546 (E_RNA)
where:
Base-Base interactions energy: -122.089
where: short stacking energy: -64.104
Base-Backbone interact. energy: -0.033
local terms energy: -75.729652
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -16.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -173.438553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.438553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.438553 (E_RNA)
where:
Base-Base interactions energy: -114.036
where: short stacking energy: -57.720
Base-Backbone interact. energy: -0.202
local terms energy: -59.201060
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -12.419
flat angles C4'-P-C4' energy: -11.134
flat angles P-C4'-P energy: -4.550
tors. eta vs tors. theta energy: -14.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -188.118465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.118465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.118465 (E_RNA)
where:
Base-Base interactions energy: -113.926
where: short stacking energy: -61.794
Base-Backbone interact. energy: -0.118
local terms energy: -74.075257
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -18.837
flat angles P-C4'-P energy: -12.596
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: 8, replica: 8
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -144.179830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.179830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.179830 (E_RNA)
where:
Base-Base interactions energy: -77.601
where: short stacking energy: -48.857
Base-Backbone interact. energy: -0.419
local terms energy: -66.159631
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -8.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -81.069523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.069523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.069523 (E_RNA)
where:
Base-Base interactions energy: -32.699
where: short stacking energy: -28.998
Base-Backbone interact. energy: -0.180
local terms energy: -48.190199
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -2.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -95.991460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.991460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.991460 (E_RNA)
where:
Base-Base interactions energy: -35.375
where: short stacking energy: -32.836
Base-Backbone interact. energy: -0.002
local terms energy: -60.614944
where:
bonds (distance) C4'-P energy: -10.634
bonds (distance) P-C4' energy: -19.904
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -7.581
tors. eta vs tors. theta energy: -8.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -241.392850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.392850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.392850 (E_RNA)
where:
Base-Base interactions energy: -157.695
where: short stacking energy: -80.877
Base-Backbone interact. energy: -0.119
local terms energy: -83.578368
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -22.128
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: 2, replica: 7
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -236.700088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.700088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.700088 (E_RNA)
where:
Base-Base interactions energy: -151.928
where: short stacking energy: -78.630
Base-Backbone interact. energy: -0.088
local terms energy: -84.684135
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -19.178
flat angles C4'-P-C4' energy: -18.145
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -20.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -219.302806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.302806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.302806 (E_RNA)
where:
Base-Base interactions energy: -132.217
where: short stacking energy: -83.822
Base-Backbone interact. energy: -0.004
local terms energy: -87.081920
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -17.817
flat angles C4'-P-C4' energy: -18.077
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -27.442
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: 5
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -198.302927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.302927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.302927 (E_RNA)
where:
Base-Base interactions energy: -129.150
where: short stacking energy: -61.923
Base-Backbone interact. energy: -0.872
local terms energy: -68.281067
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -18.415
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -11.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -208.155491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.155491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.155491 (E_RNA)
where:
Base-Base interactions energy: -127.189
where: short stacking energy: -69.828
Base-Backbone interact. energy: -0.019
local terms energy: -80.947867
where:
bonds (distance) C4'-P energy: -12.891
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -18.983
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -23.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -188.736997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.736997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.736997 (E_RNA)
where:
Base-Base interactions energy: -115.550
where: short stacking energy: -50.437
Base-Backbone interact. energy: -0.168
local terms energy: -73.019580
where:
bonds (distance) C4'-P energy: -14.353
bonds (distance) P-C4' energy: -19.871
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -11.185
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: 7, replica: 9
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -171.386569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.386569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.386569 (E_RNA)
where:
Base-Base interactions energy: -106.754
where: short stacking energy: -52.609
Base-Backbone interact. energy: -0.271
local terms energy: -64.362526
where:
bonds (distance) C4'-P energy: -8.548
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -14.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -138.565605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.565605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.565605 (E_RNA)
where:
Base-Base interactions energy: -70.935
where: short stacking energy: -43.640
Base-Backbone interact. energy: -0.127
local terms energy: -67.502939
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -7.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -95.327507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.327507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.327507 (E_RNA)
where:
Base-Base interactions energy: -45.239
where: short stacking energy: -45.239
Base-Backbone interact. energy: 0.279
local terms energy: -50.367492
where:
bonds (distance) C4'-P energy: -8.899
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -3.761
tors. eta vs tors. theta energy: -7.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -82.528015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.528015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.528015 (E_RNA)
where:
Base-Base interactions energy: -31.407
where: short stacking energy: -25.703
Base-Backbone interact. energy: 0.346
local terms energy: -51.467454
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -6.875
tors. eta vs tors. theta energy: 0.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -249.573252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.573252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.573252 (E_RNA)
where:
Base-Base interactions energy: -161.653
where: short stacking energy: -85.882
Base-Backbone interact. energy: 0.753
local terms energy: -88.674095
where:
bonds (distance) C4'-P energy: -17.402
bonds (distance) P-C4' energy: -20.202
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -11.943
tors. eta vs tors. theta energy: -22.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -227.872934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.872934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.872934 (E_RNA)
where:
Base-Base interactions energy: -143.342
where: short stacking energy: -76.460
Base-Backbone interact. energy: -0.052
local terms energy: -84.478416
where:
bonds (distance) C4'-P energy: -13.621
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -19.873
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -22.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -211.650061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.650061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.650061 (E_RNA)
where:
Base-Base interactions energy: -130.046
where: short stacking energy: -71.378
Base-Backbone interact. energy: -0.060
local terms energy: -81.544074
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -14.693
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -14.612
tors. eta vs tors. theta energy: -22.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -202.186174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.186174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.186174 (E_RNA)
where:
Base-Base interactions energy: -128.672
where: short stacking energy: -58.172
Base-Backbone interact. energy: -0.005
local terms energy: -73.508706
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -19.367
flat angles P-C4'-P energy: -12.192
tors. eta vs tors. theta energy: -15.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -196.336185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.336185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.336185 (E_RNA)
where:
Base-Base interactions energy: -115.481
where: short stacking energy: -59.477
Base-Backbone interact. energy: -0.281
local terms energy: -80.574223
where:
bonds (distance) C4'-P energy: -17.988
bonds (distance) P-C4' energy: -17.395
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -17.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -191.817101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.817101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.817101 (E_RNA)
where:
Base-Base interactions energy: -118.103
where: short stacking energy: -65.706
Base-Backbone interact. energy: -0.032
local terms energy: -73.682418
where:
bonds (distance) C4'-P energy: -11.228
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -20.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -177.582184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.582184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.582184 (E_RNA)
where:
Base-Base interactions energy: -113.120
where: short stacking energy: -52.638
Base-Backbone interact. energy: -0.546
local terms energy: -63.915798
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -9.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -134.924977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.924977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.924977 (E_RNA)
where:
Base-Base interactions energy: -75.061
where: short stacking energy: -38.543
Base-Backbone interact. energy: -0.249
local terms energy: -59.615469
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -15.580
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -11.106
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: 9, replica: 4
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -105.575484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.575484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.575484 (E_RNA)
where:
Base-Base interactions energy: -52.689
where: short stacking energy: -31.876
Base-Backbone interact. energy: -0.155
local terms energy: -52.732189
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -11.896
flat angles P-C4'-P energy: -7.395
tors. eta vs tors. theta energy: -2.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -90.984859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.984859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.984859 (E_RNA)
where:
Base-Base interactions energy: -36.788
where: short stacking energy: -30.078
Base-Backbone interact. energy: -0.269
local terms energy: -53.928746
where:
bonds (distance) C4'-P energy: -10.430
bonds (distance) P-C4' energy: -16.929
flat angles C4'-P-C4' energy: -11.582
flat angles P-C4'-P energy: -12.204
tors. eta vs tors. theta energy: -2.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -235.408137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.408137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.408137 (E_RNA)
where:
Base-Base interactions energy: -157.174
where: short stacking energy: -72.527
Base-Backbone interact. energy: -0.060
local terms energy: -78.173696
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -12.689
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -21.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -213.365436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.365436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.365436 (E_RNA)
where:
Base-Base interactions energy: -133.238
where: short stacking energy: -68.870
Base-Backbone interact. energy: 0.764
local terms energy: -80.890725
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -18.966
flat angles P-C4'-P energy: -12.829
tors. eta vs tors. theta energy: -19.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -224.094042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.094042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.094042 (E_RNA)
where:
Base-Base interactions energy: -134.601
where: short stacking energy: -80.353
Base-Backbone interact. energy: 1.678
local terms energy: -91.171109
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -20.215
flat angles C4'-P-C4' energy: -18.716
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -24.614
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: 4, replica: 5
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -205.600092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.600092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.600092 (E_RNA)
where:
Base-Base interactions energy: -135.980
where: short stacking energy: -66.348
Base-Backbone interact. energy: -0.028
local terms energy: -69.592155
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -16.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -196.193919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.193919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.193919 (E_RNA)
where:
Base-Base interactions energy: -128.471
where: short stacking energy: -70.034
Base-Backbone interact. energy: 0.201
local terms energy: -67.924019
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -11.974
flat angles C4'-P-C4' energy: -13.145
flat angles P-C4'-P energy: -13.965
tors. eta vs tors. theta energy: -15.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -166.404763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.404763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.404763 (E_RNA)
where:
Base-Base interactions energy: -102.598
where: short stacking energy: -45.659
Base-Backbone interact. energy: -0.269
local terms energy: -63.537580
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -14.011
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: 7, replica: 10
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -180.540128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.540128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.540128 (E_RNA)
where:
Base-Base interactions energy: -104.780
where: short stacking energy: -63.287
Base-Backbone interact. energy: -0.003
local terms energy: -75.757350
where:
bonds (distance) C4'-P energy: -11.031
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -19.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -149.364378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.364378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.364378 (E_RNA)
where:
Base-Base interactions energy: -87.040
where: short stacking energy: -39.040
Base-Backbone interact. energy: -0.107
local terms energy: -62.216626
where:
bonds (distance) C4'-P energy: -18.049
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -12.162
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -6.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -95.247927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.247927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.247927 (E_RNA)
where:
Base-Base interactions energy: -40.780
where: short stacking energy: -35.735
Base-Backbone interact. energy: -0.573
local terms energy: -53.895160
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: -5.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -93.363327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.363327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.363327 (E_RNA)
where:
Base-Base interactions energy: -36.928
where: short stacking energy: -36.925
Base-Backbone interact. energy: -0.189
local terms energy: -56.245815
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -2.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -227.220107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.220107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.220107 (E_RNA)
where:
Base-Base interactions energy: -143.874
where: short stacking energy: -70.231
Base-Backbone interact. energy: -0.134
local terms energy: -83.211516
where:
bonds (distance) C4'-P energy: -18.421
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -21.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -236.332535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.332535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.332535 (E_RNA)
where:
Base-Base interactions energy: -145.999
where: short stacking energy: -65.038
Base-Backbone interact. energy: -0.111
local terms energy: -90.222641
where:
bonds (distance) C4'-P energy: -19.236
bonds (distance) P-C4' energy: -20.576
flat angles C4'-P-C4' energy: -18.478
flat angles P-C4'-P energy: -12.170
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: 3, replica: 7
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -222.686354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.686354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.686354 (E_RNA)
where:
Base-Base interactions energy: -130.100
where: short stacking energy: -76.713
Base-Backbone interact. energy: -0.157
local terms energy: -92.429282
where:
bonds (distance) C4'-P energy: -18.492
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -20.071
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -22.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -201.364519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.364519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.364519 (E_RNA)
where:
Base-Base interactions energy: -127.835
where: short stacking energy: -56.729
Base-Backbone interact. energy: -0.060
local terms energy: -73.469444
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -11.840
tors. eta vs tors. theta energy: -14.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -182.080038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.080038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.080038 (E_RNA)
where:
Base-Base interactions energy: -116.848
where: short stacking energy: -54.952
Base-Backbone interact. energy: 0.045
local terms energy: -65.276346
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -9.614
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: 2
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -201.632142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.632142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.632142 (E_RNA)
where:
Base-Base interactions energy: -126.834
where: short stacking energy: -70.388
Base-Backbone interact. energy: -0.046
local terms energy: -74.752159
where:
bonds (distance) C4'-P energy: -17.287
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -5.463
tors. eta vs tors. theta energy: -20.668
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: 8
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -151.797767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.797767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.797767 (E_RNA)
where:
Base-Base interactions energy: -96.257
where: short stacking energy: -46.113
Base-Backbone interact. energy: -0.284
local terms energy: -55.256749
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -7.376
tors. eta vs tors. theta energy: -4.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -182.200568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.200568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.200568 (E_RNA)
where:
Base-Base interactions energy: -112.028
where: short stacking energy: -45.291
Base-Backbone interact. energy: -0.146
local terms energy: -70.026594
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -16.052
flat angles C4'-P-C4' energy: -18.058
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -10.933
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: 1
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -138.143697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.143697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.143697 (E_RNA)
where:
Base-Base interactions energy: -77.153
where: short stacking energy: -33.092
Base-Backbone interact. energy: -0.114
local terms energy: -60.876806
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -15.076
flat angles C4'-P-C4' energy: -16.250
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -4.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -91.876845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.876845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.876845 (E_RNA)
where:
Base-Base interactions energy: -37.119
where: short stacking energy: -37.119
Base-Backbone interact. energy: 1.660
local terms energy: -56.417717
where:
bonds (distance) C4'-P energy: -18.259
bonds (distance) P-C4' energy: -16.201
flat angles C4'-P-C4' energy: -11.652
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: 0.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -218.739606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.739606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.739606 (E_RNA)
where:
Base-Base interactions energy: -129.530
where: short stacking energy: -75.881
Base-Backbone interact. energy: -0.001
local terms energy: -89.208335
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -19.341
flat angles C4'-P-C4' energy: -17.847
flat angles P-C4'-P energy: -14.514
tors. eta vs tors. theta energy: -24.356
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: 3
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -219.884610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.884610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.884610 (E_RNA)
where:
Base-Base interactions energy: -148.203
where: short stacking energy: -70.800
Base-Backbone interact. energy: -0.096
local terms energy: -71.585356
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -7.213
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: 3, replica: 7
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -222.240827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.240827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.240827 (E_RNA)
where:
Base-Base interactions energy: -134.326
where: short stacking energy: -70.535
Base-Backbone interact. energy: -0.728
local terms energy: -87.186170
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -18.509
flat angles C4'-P-C4' energy: -19.660
flat angles P-C4'-P energy: -13.200
tors. eta vs tors. theta energy: -19.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -205.161841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.161841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.161841 (E_RNA)
where:
Base-Base interactions energy: -132.397
where: short stacking energy: -68.157
Base-Backbone interact. energy: -0.116
local terms energy: -72.648327
where:
bonds (distance) C4'-P energy: -14.257
bonds (distance) P-C4' energy: -12.776
flat angles C4'-P-C4' energy: -14.573
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -19.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -205.759523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.759523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.759523 (E_RNA)
where:
Base-Base interactions energy: -128.570
where: short stacking energy: -63.856
Base-Backbone interact. energy: -0.010
local terms energy: -77.179356
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -11.358
flat angles P-C4'-P energy: -13.312
tors. eta vs tors. theta energy: -20.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -187.832180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.832180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.832180 (E_RNA)
where:
Base-Base interactions energy: -112.763
where: short stacking energy: -55.632
Base-Backbone interact. energy: -0.101
local terms energy: -74.967931
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -11.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -140.150856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.150856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.150856 (E_RNA)
where:
Base-Base interactions energy: -86.518
where: short stacking energy: -51.055
Base-Backbone interact. energy: -0.006
local terms energy: -53.626685
where:
bonds (distance) C4'-P energy: -14.221
bonds (distance) P-C4' energy: -16.849
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -1.985
tors. eta vs tors. theta energy: -6.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -136.535284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.535284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.535284 (E_RNA)
where:
Base-Base interactions energy: -76.478
where: short stacking energy: -32.063
Base-Backbone interact. energy: 1.110
local terms energy: -61.166530
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -11.711
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -15.393
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: 10
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -160.973943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.973943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.973943 (E_RNA)
where:
Base-Base interactions energy: -96.700
where: short stacking energy: -43.964
Base-Backbone interact. energy: -0.863
local terms energy: -63.410839
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -14.609
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -11.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -87.690169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.690169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.690169 (E_RNA)
where:
Base-Base interactions energy: -33.206
where: short stacking energy: -33.206
Base-Backbone interact. energy: -0.332
local terms energy: -54.152262
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -2.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -218.789878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.789878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.789878 (E_RNA)
where:
Base-Base interactions energy: -141.719
where: short stacking energy: -77.137
Base-Backbone interact. energy: -0.197
local terms energy: -76.873697
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -18.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -225.465362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.465362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.465362 (E_RNA)
where:
Base-Base interactions energy: -136.605
where: short stacking energy: -79.490
Base-Backbone interact. energy: -0.028
local terms energy: -88.832415
where:
bonds (distance) C4'-P energy: -18.388
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -20.081
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: -22.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -207.928909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.928909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.928909 (E_RNA)
where:
Base-Base interactions energy: -126.792
where: short stacking energy: -65.645
Base-Backbone interact. energy: -0.094
local terms energy: -81.043002
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -19.524
flat angles C4'-P-C4' energy: -17.594
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -16.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -199.503790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.503790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.503790 (E_RNA)
where:
Base-Base interactions energy: -116.858
where: short stacking energy: -61.106
Base-Backbone interact. energy: -0.002
local terms energy: -82.643978
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -19.546
flat angles C4'-P-C4' energy: -20.146
flat angles P-C4'-P energy: -12.077
tors. eta vs tors. theta energy: -16.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -203.305446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.305446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.305446 (E_RNA)
where:
Base-Base interactions energy: -133.892
where: short stacking energy: -60.545
Base-Backbone interact. energy: -0.228
local terms energy: -69.186120
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -15.224
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -14.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -185.562360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.562360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.562360 (E_RNA)
where:
Base-Base interactions energy: -113.905
where: short stacking energy: -58.059
Base-Backbone interact. energy: -0.131
local terms energy: -71.526449
where:
bonds (distance) C4'-P energy: -17.068
bonds (distance) P-C4' energy: -15.964
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -10.284
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: 7, replica: 1
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -143.838379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.838379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.838379 (E_RNA)
where:
Base-Base interactions energy: -79.022
where: short stacking energy: -41.205
Base-Backbone interact. energy: -0.154
local terms energy: -64.662789
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -2.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -161.797702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.797702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.797702 (E_RNA)
where:
Base-Base interactions energy: -102.806
where: short stacking energy: -48.772
Base-Backbone interact. energy: -0.108
local terms energy: -58.884127
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -9.202
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -7.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -129.307600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.307600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.307600 (E_RNA)
where:
Base-Base interactions energy: -79.179
where: short stacking energy: -38.858
Base-Backbone interact. energy: -0.146
local terms energy: -49.982028
where:
bonds (distance) C4'-P energy: -12.216
bonds (distance) P-C4' energy: -7.535
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -5.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -80.371968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.371968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.371968 (E_RNA)
where:
Base-Base interactions energy: -27.509
where: short stacking energy: -22.940
Base-Backbone interact. energy: -0.130
local terms energy: -52.733204
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -12.042
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -1.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -221.361322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.361322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.361322 (E_RNA)
where:
Base-Base interactions energy: -135.477
where: short stacking energy: -68.386
Base-Backbone interact. energy: -0.046
local terms energy: -85.837992
where:
bonds (distance) C4'-P energy: -18.305
bonds (distance) P-C4' energy: -19.542
flat angles C4'-P-C4' energy: -18.138
flat angles P-C4'-P energy: -12.303
tors. eta vs tors. theta energy: -17.551
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: 7
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -225.803285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.803285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.803285 (E_RNA)
where:
Base-Base interactions energy: -150.604
where: short stacking energy: -75.964
Base-Backbone interact. energy: 1.152
local terms energy: -76.351693
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -17.483
flat angles C4'-P-C4' energy: -18.437
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -16.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -206.615515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.615515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.615515 (E_RNA)
where:
Base-Base interactions energy: -128.245
where: short stacking energy: -65.418
Base-Backbone interact. energy: -0.066
local terms energy: -78.304246
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -19.283
flat angles P-C4'-P energy: -6.635
tors. eta vs tors. theta energy: -21.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -209.396314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.396314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.396314 (E_RNA)
where:
Base-Base interactions energy: -134.192
where: short stacking energy: -64.521
Base-Backbone interact. energy: -0.082
local terms energy: -75.122634
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -17.839
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -19.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -193.886765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.886765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.886765 (E_RNA)
where:
Base-Base interactions energy: -126.318
where: short stacking energy: -66.474
Base-Backbone interact. energy: -0.007
local terms energy: -67.561026
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -4.069
flat angles C4'-P-C4' energy: -18.959
flat angles P-C4'-P energy: -10.347
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: 6, replica: 5
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -183.471845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.471845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.471845 (E_RNA)
where:
Base-Base interactions energy: -115.291
where: short stacking energy: -59.651
Base-Backbone interact. energy: -0.170
local terms energy: -68.010541
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: -12.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -115.522203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.522203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.522203 (E_RNA)
where:
Base-Base interactions energy: -63.072
where: short stacking energy: -33.911
Base-Backbone interact. energy: -0.354
local terms energy: -52.096237
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -11.575
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -2.625
tors. eta vs tors. theta energy: -9.634
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: 10
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -136.652610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.652610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.652610 (E_RNA)
where:
Base-Base interactions energy: -70.105
where: short stacking energy: -41.508
Base-Backbone interact. energy: -0.040
local terms energy: -66.507772
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -6.215
tors. eta vs tors. theta energy: -10.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -130.419936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.419936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.419936 (E_RNA)
where:
Base-Base interactions energy: -66.339
where: short stacking energy: -26.364
Base-Backbone interact. energy: -0.211
local terms energy: -63.869397
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -14.189
tors. eta vs tors. theta energy: -4.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -86.100110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.100110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.100110 (E_RNA)
where:
Base-Base interactions energy: -27.580
where: short stacking energy: -24.170
Base-Backbone interact. energy: -0.472
local terms energy: -58.048195
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -17.829
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: 1.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -219.665564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.665564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.665564 (E_RNA)
where:
Base-Base interactions energy: -139.678
where: short stacking energy: -70.413
Base-Backbone interact. energy: -0.219
local terms energy: -79.768278
where:
bonds (distance) C4'-P energy: -20.644
bonds (distance) P-C4' energy: -17.353
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -16.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -226.455542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.455542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.455542 (E_RNA)
where:
Base-Base interactions energy: -149.882
where: short stacking energy: -65.387
Base-Backbone interact. energy: -0.333
local terms energy: -76.240592
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -18.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -208.274042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.274042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.274042 (E_RNA)
where:
Base-Base interactions energy: -130.831
where: short stacking energy: -53.365
Base-Backbone interact. energy: 0.986
local terms energy: -78.429045
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -19.314
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -11.943
tors. eta vs tors. theta energy: -15.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -211.090667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.090667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.090667 (E_RNA)
where:
Base-Base interactions energy: -135.388
where: short stacking energy: -69.045
Base-Backbone interact. energy: -0.161
local terms energy: -75.542389
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -19.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -155.205652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.205652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.205652 (E_RNA)
where:
Base-Base interactions energy: -87.312
where: short stacking energy: -44.380
Base-Backbone interact. energy: -1.019
local terms energy: -66.874727
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -15.590
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -9.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -166.622481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.622481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.622481 (E_RNA)
where:
Base-Base interactions energy: -99.208
where: short stacking energy: -46.028
Base-Backbone interact. energy: 0.829
local terms energy: -68.242726
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -14.862
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -14.683
tors. eta vs tors. theta energy: -7.965
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: 10
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -140.463502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.463502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.463502 (E_RNA)
where:
Base-Base interactions energy: -73.359
where: short stacking energy: -41.560
Base-Backbone interact. energy: -0.120
local terms energy: -66.984463
where:
bonds (distance) C4'-P energy: -17.871
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -8.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -89.424843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.424843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.424843 (E_RNA)
where:
Base-Base interactions energy: -34.948
where: short stacking energy: -34.948
Base-Backbone interact. energy: -0.138
local terms energy: -54.339212
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -18.331
flat angles P-C4'-P energy: 1.701
tors. eta vs tors. theta energy: -4.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -182.134135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.134135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.134135 (E_RNA)
where:
Base-Base interactions energy: -111.645
where: short stacking energy: -67.483
Base-Backbone interact. energy: -0.157
local terms energy: -70.331732
where:
bonds (distance) C4'-P energy: -19.253
bonds (distance) P-C4' energy: -15.507
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -5.604
tors. eta vs tors. theta energy: -16.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -82.136026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.136026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.136026 (E_RNA)
where:
Base-Base interactions energy: -26.930
where: short stacking energy: -24.193
Base-Backbone interact. energy: 0.728
local terms energy: -55.934123
where:
bonds (distance) C4'-P energy: -18.003
bonds (distance) P-C4' energy: -20.113
flat angles C4'-P-C4' energy: -17.293
flat angles P-C4'-P energy: -3.062
tors. eta vs tors. theta energy: 2.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -216.851302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.851302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.851302 (E_RNA)
where:
Base-Base interactions energy: -128.687
where: short stacking energy: -68.724
Base-Backbone interact. energy: -0.079
local terms energy: -88.085622
where:
bonds (distance) C4'-P energy: -17.869
bonds (distance) P-C4' energy: -19.355
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -15.428
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: 2, replica: 7
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -217.337016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.337016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.337016 (E_RNA)
where:
Base-Base interactions energy: -140.606
where: short stacking energy: -67.754
Base-Backbone interact. energy: -0.150
local terms energy: -76.580919
where:
bonds (distance) C4'-P energy: -17.725
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -10.457
tors. eta vs tors. theta energy: -15.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -202.099291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.099291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.099291 (E_RNA)
where:
Base-Base interactions energy: -120.349
where: short stacking energy: -68.052
Base-Backbone interact. energy: -0.413
local terms energy: -81.336972
where:
bonds (distance) C4'-P energy: -19.087
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -18.865
flat angles P-C4'-P energy: -9.447
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: 4, replica: 2
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -214.593649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.593649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.593649 (E_RNA)
where:
Base-Base interactions energy: -144.309
where: short stacking energy: -70.211
Base-Backbone interact. energy: -0.032
local terms energy: -70.252513
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -18.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -190.848178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.848178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.848178 (E_RNA)
where:
Base-Base interactions energy: -116.117
where: short stacking energy: -60.896
Base-Backbone interact. energy: 0.009
local terms energy: -74.740267
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -13.558
tors. eta vs tors. theta energy: -11.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -195.582484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.582484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.582484 (E_RNA)
where:
Base-Base interactions energy: -125.698
where: short stacking energy: -65.331
Base-Backbone interact. energy: -0.150
local terms energy: -69.734525
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -15.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -153.590390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.590390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.590390 (E_RNA)
where:
Base-Base interactions energy: -92.484
where: short stacking energy: -49.749
Base-Backbone interact. energy: -0.145
local terms energy: -60.961752
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -18.004
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -7.424
tors. eta vs tors. theta energy: -6.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -144.519102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.519102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.519102 (E_RNA)
where:
Base-Base interactions energy: -91.764
where: short stacking energy: -35.310
Base-Backbone interact. energy: 0.399
local terms energy: -53.154457
where:
bonds (distance) C4'-P energy: -14.664
bonds (distance) P-C4' energy: -11.278
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -7.292
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: 9, replica: 1
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -87.631988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.631988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.631988 (E_RNA)
where:
Base-Base interactions energy: -26.661
where: short stacking energy: -26.756
Base-Backbone interact. energy: -0.533
local terms energy: -60.438114
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -2.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -88.341367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.341367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.341367 (E_RNA)
where:
Base-Base interactions energy: -28.091
where: short stacking energy: -27.933
Base-Backbone interact. energy: -0.055
local terms energy: -60.195760
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -16.215
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -2.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -239.047735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.047735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.047735 (E_RNA)
where:
Base-Base interactions energy: -150.227
where: short stacking energy: -82.302
Base-Backbone interact. energy: -0.019
local terms energy: -88.802272
where:
bonds (distance) C4'-P energy: -17.941
bonds (distance) P-C4' energy: -17.176
flat angles C4'-P-C4' energy: -18.952
flat angles P-C4'-P energy: -10.449
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: 2, replica: 7
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -224.430231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.430231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.430231 (E_RNA)
where:
Base-Base interactions energy: -145.444
where: short stacking energy: -71.060
Base-Backbone interact. energy: -0.196
local terms energy: -78.789816
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -13.254
tors. eta vs tors. theta energy: -16.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -208.813305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.813305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.813305 (E_RNA)
where:
Base-Base interactions energy: -127.078
where: short stacking energy: -70.287
Base-Backbone interact. energy: 0.432
local terms energy: -82.166850
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -19.070
flat angles C4'-P-C4' energy: -18.961
flat angles P-C4'-P energy: -13.304
tors. eta vs tors. theta energy: -17.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -199.018659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.018659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.018659 (E_RNA)
where:
Base-Base interactions energy: -121.346
where: short stacking energy: -65.186
Base-Backbone interact. energy: -0.013
local terms energy: -77.659673
where:
bonds (distance) C4'-P energy: -17.482
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -18.489
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: 5
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -188.481494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.481494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.481494 (E_RNA)
where:
Base-Base interactions energy: -112.179
where: short stacking energy: -56.851
Base-Backbone interact. energy: 0.907
local terms energy: -77.209256
where:
bonds (distance) C4'-P energy: -17.626
bonds (distance) P-C4' energy: -17.007
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -13.735
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: 9
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -179.428604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.428604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.428604 (E_RNA)
where:
Base-Base interactions energy: -111.003
where: short stacking energy: -44.924
Base-Backbone interact. energy: -0.854
local terms energy: -67.570990
where:
bonds (distance) C4'-P energy: -17.007
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -16.903
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -6.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -147.463991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.463991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.463991 (E_RNA)
where:
Base-Base interactions energy: -86.098
where: short stacking energy: -40.260
Base-Backbone interact. energy: -0.052
local terms energy: -61.313706
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -4.381
tors. eta vs tors. theta energy: -11.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -138.450838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.450838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.450838 (E_RNA)
where:
Base-Base interactions energy: -77.462
where: short stacking energy: -34.314
Base-Backbone interact. energy: 0.675
local terms energy: -61.663589
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -17.583
flat angles C4'-P-C4' energy: -11.518
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -7.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -97.783671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.783671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.783671 (E_RNA)
where:
Base-Base interactions energy: -30.911
where: short stacking energy: -29.884
Base-Backbone interact. energy: -0.137
local terms energy: -66.735047
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -19.274
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -6.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -99.000523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.000523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.000523 (E_RNA)
where:
Base-Base interactions energy: -40.182
where: short stacking energy: -34.031
Base-Backbone interact. energy: -1.156
local terms energy: -57.662854
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -17.124
flat angles C4'-P-C4' energy: -9.452
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -7.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -231.355852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.355852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.355852 (E_RNA)
where:
Base-Base interactions energy: -146.721
where: short stacking energy: -77.309
Base-Backbone interact. energy: -0.161
local terms energy: -84.473900
where:
bonds (distance) C4'-P energy: -15.412
bonds (distance) P-C4' energy: -19.493
flat angles C4'-P-C4' energy: -17.677
flat angles P-C4'-P energy: -13.601
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: 2, replica: 7
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -227.877625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.877625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.877625 (E_RNA)
where:
Base-Base interactions energy: -142.904
where: short stacking energy: -76.110
Base-Backbone interact. energy: 0.287
local terms energy: -85.261091
where:
bonds (distance) C4'-P energy: -16.298
bonds (distance) P-C4' energy: -17.565
flat angles C4'-P-C4' energy: -20.053
flat angles P-C4'-P energy: -13.173
tors. eta vs tors. theta energy: -18.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -206.715432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.715432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.715432 (E_RNA)
where:
Base-Base interactions energy: -120.692
where: short stacking energy: -70.200
Base-Backbone interact. energy: 0.145
local terms energy: -86.168463
where:
bonds (distance) C4'-P energy: -19.484
bonds (distance) P-C4' energy: -19.644
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -13.069
tors. eta vs tors. theta energy: -20.151
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: 4, replica: 5
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -201.301624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.301624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.301624 (E_RNA)
where:
Base-Base interactions energy: -126.462
where: short stacking energy: -67.834
Base-Backbone interact. energy: -0.222
local terms energy: -74.617441
where:
bonds (distance) C4'-P energy: -18.472
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -3.268
tors. eta vs tors. theta energy: -19.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -195.418769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.418769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.418769 (E_RNA)
where:
Base-Base interactions energy: -117.755
where: short stacking energy: -68.905
Base-Backbone interact. energy: -0.350
local terms energy: -77.312905
where:
bonds (distance) C4'-P energy: -17.954
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -18.893
flat angles P-C4'-P energy: -9.725
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: 6, replica: 8
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -167.706387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.706387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.706387 (E_RNA)
where:
Base-Base interactions energy: -111.043
where: short stacking energy: -54.421
Base-Backbone interact. energy: -0.311
local terms energy: -56.352449
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -9.815
flat angles P-C4'-P energy: -7.115
tors. eta vs tors. theta energy: -10.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -170.503439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.503439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.503439 (E_RNA)
where:
Base-Base interactions energy: -101.164
where: short stacking energy: -51.751
Base-Backbone interact. energy: -0.183
local terms energy: -69.157206
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -13.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -131.141722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.141722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.141722 (E_RNA)
where:
Base-Base interactions energy: -75.802
where: short stacking energy: -43.968
Base-Backbone interact. energy: -0.015
local terms energy: -55.324408
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -11.321
flat angles P-C4'-P energy: -7.280
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: 9, replica: 4
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -138.128911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.128911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.128911 (E_RNA)
where:
Base-Base interactions energy: -71.967
where: short stacking energy: -47.522
Base-Backbone interact. energy: 0.554
local terms energy: -66.715934
where:
bonds (distance) C4'-P energy: -10.436
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -17.546
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -10.145
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: 1
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -82.075798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.075798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.075798 (E_RNA)
where:
Base-Base interactions energy: -38.088
where: short stacking energy: -27.814
Base-Backbone interact. energy: 0.192
local terms energy: -44.180170
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -16.648
flat angles C4'-P-C4' energy: -2.493
flat angles P-C4'-P energy: -6.197
tors. eta vs tors. theta energy: -2.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -226.488987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.488987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.488987 (E_RNA)
where:
Base-Base interactions energy: -135.946
where: short stacking energy: -75.584
Base-Backbone interact. energy: -0.004
local terms energy: -90.539928
where:
bonds (distance) C4'-P energy: -17.825
bonds (distance) P-C4' energy: -18.192
flat angles C4'-P-C4' energy: -20.607
flat angles P-C4'-P energy: -11.607
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: 2, replica: 3
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -216.751663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.751663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.751663 (E_RNA)
where:
Base-Base interactions energy: -137.703
where: short stacking energy: -66.941
Base-Backbone interact. energy: 0.451
local terms energy: -79.499983
where:
bonds (distance) C4'-P energy: -16.432
bonds (distance) P-C4' energy: -19.099
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -14.107
tors. eta vs tors. theta energy: -14.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -202.008156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.008156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.008156 (E_RNA)
where:
Base-Base interactions energy: -128.313
where: short stacking energy: -63.371
Base-Backbone interact. energy: -0.197
local terms energy: -73.497470
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -19.004
flat angles C4'-P-C4' energy: -11.642
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -19.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -205.100085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.100085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.100085 (E_RNA)
where:
Base-Base interactions energy: -128.323
where: short stacking energy: -62.716
Base-Backbone interact. energy: -0.506
local terms energy: -76.271432
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -17.875
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -20.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -195.854347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.854347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.854347 (E_RNA)
where:
Base-Base interactions energy: -114.436
where: short stacking energy: -65.856
Base-Backbone interact. energy: -0.509
local terms energy: -80.909343
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -21.335
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -20.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -198.126939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.126939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.126939 (E_RNA)
where:
Base-Base interactions energy: -132.432
where: short stacking energy: -62.609
Base-Backbone interact. energy: -0.094
local terms energy: -65.601156
where:
bonds (distance) C4'-P energy: -9.248
bonds (distance) P-C4' energy: -16.351
flat angles C4'-P-C4' energy: -10.192
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -18.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -149.717435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.717435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.717435 (E_RNA)
where:
Base-Base interactions energy: -85.462
where: short stacking energy: -46.025
Base-Backbone interact. energy: -0.101
local terms energy: -64.155148
where:
bonds (distance) C4'-P energy: -18.181
bonds (distance) P-C4' energy: -17.141
flat angles C4'-P-C4' energy: -10.184
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: -10.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -150.519780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.519780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.519780 (E_RNA)
where:
Base-Base interactions energy: -92.283
where: short stacking energy: -45.125
Base-Backbone interact. energy: -0.304
local terms energy: -57.932604
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -16.453
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -4.261
tors. eta vs tors. theta energy: -6.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -137.868341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.868341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.868341 (E_RNA)
where:
Base-Base interactions energy: -92.252
where: short stacking energy: -44.506
Base-Backbone interact. energy: -0.300
local terms energy: -45.316731
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -11.881
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -2.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -91.499314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.499314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.499314 (E_RNA)
where:
Base-Base interactions energy: -36.253
where: short stacking energy: -36.253
Base-Backbone interact. energy: 0.392
local terms energy: -55.638201
where:
bonds (distance) C4'-P energy: -16.655
bonds (distance) P-C4' energy: -13.354
flat angles C4'-P-C4' energy: -11.097
flat angles P-C4'-P energy: -6.253
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: 7
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -227.747766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.747766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.747766 (E_RNA)
where:
Base-Base interactions energy: -138.222
where: short stacking energy: -79.542
Base-Backbone interact. energy: 0.662
local terms energy: -90.187946
where:
bonds (distance) C4'-P energy: -18.020
bonds (distance) P-C4' energy: -17.413
flat angles C4'-P-C4' energy: -18.742
flat angles P-C4'-P energy: -14.117
tors. eta vs tors. theta energy: -21.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -198.291364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.291364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.291364 (E_RNA)
where:
Base-Base interactions energy: -117.538
where: short stacking energy: -50.805
Base-Backbone interact. energy: -0.245
local terms energy: -80.508654
where:
bonds (distance) C4'-P energy: -17.789
bonds (distance) P-C4' energy: -19.567
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -15.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -210.536302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.536302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.536302 (E_RNA)
where:
Base-Base interactions energy: -129.476
where: short stacking energy: -63.198
Base-Backbone interact. energy: 0.423
local terms energy: -81.483554
where:
bonds (distance) C4'-P energy: -18.879
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -18.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -194.147420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.147420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.147420 (E_RNA)
where:
Base-Base interactions energy: -121.219
where: short stacking energy: -60.855
Base-Backbone interact. energy: -0.147
local terms energy: -72.780942
where:
bonds (distance) C4'-P energy: -18.528
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -15.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -202.064114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.064114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.064114 (E_RNA)
where:
Base-Base interactions energy: -126.982
where: short stacking energy: -64.587
Base-Backbone interact. energy: -0.011
local terms energy: -75.071306
where:
bonds (distance) C4'-P energy: -18.187
bonds (distance) P-C4' energy: -12.677
flat angles C4'-P-C4' energy: -16.741
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -17.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -185.747593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.747593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.747593 (E_RNA)
where:
Base-Base interactions energy: -117.725
where: short stacking energy: -57.068
Base-Backbone interact. energy: -0.010
local terms energy: -68.013107
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -15.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -162.759586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.759586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.759586 (E_RNA)
where:
Base-Base interactions energy: -100.009
where: short stacking energy: -51.268
Base-Backbone interact. energy: -1.285
local terms energy: -61.465464
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: -10.341
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: 485
Temperature: 1.250000
Total energy: -156.036021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.036021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.036021 (E_RNA)
where:
Base-Base interactions energy: -99.989
where: short stacking energy: -43.492
Base-Backbone interact. energy: 1.038
local terms energy: -57.085361
where:
bonds (distance) C4'-P energy: -10.756
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -7.162
tors. eta vs tors. theta energy: -9.024
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: 4
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -132.592644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.592644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.592644 (E_RNA)
where:
Base-Base interactions energy: -77.517
where: short stacking energy: -36.555
Base-Backbone interact. energy: 0.180
local terms energy: -55.255732
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -13.488
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -7.078
tors. eta vs tors. theta energy: -5.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -80.881277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.881277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.881277 (E_RNA)
where:
Base-Base interactions energy: -33.328
where: short stacking energy: -33.328
Base-Backbone interact. energy: -0.118
local terms energy: -47.434369
where:
bonds (distance) C4'-P energy: -15.525
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -9.111
flat angles P-C4'-P energy: -3.393
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: 1, replica: 7
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -219.108603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.108603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.108603 (E_RNA)
where:
Base-Base interactions energy: -137.617
where: short stacking energy: -72.618
Base-Backbone interact. energy: -0.020
local terms energy: -81.471656
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -18.541
flat angles P-C4'-P energy: -8.161
tors. eta vs tors. theta energy: -21.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -216.092137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.092137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.092137 (E_RNA)
where:
Base-Base interactions energy: -132.755
where: short stacking energy: -57.940
Base-Backbone interact. energy: -0.082
local terms energy: -83.254980
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -19.054
flat angles P-C4'-P energy: -13.689
tors. eta vs tors. theta energy: -15.641
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: 3, replica: 3
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -219.409822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.409822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.409822 (E_RNA)
where:
Base-Base interactions energy: -140.070
where: short stacking energy: -75.461
Base-Backbone interact. energy: -0.173
local terms energy: -79.166513
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -18.201
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -17.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -203.380885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.380885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.380885 (E_RNA)
where:
Base-Base interactions energy: -132.843
where: short stacking energy: -63.487
Base-Backbone interact. energy: -0.824
local terms energy: -69.713891
where:
bonds (distance) C4'-P energy: -7.782
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -17.675
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -16.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -191.722711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.722711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.722711 (E_RNA)
where:
Base-Base interactions energy: -114.057
where: short stacking energy: -64.299
Base-Backbone interact. energy: -0.225
local terms energy: -77.440566
where:
bonds (distance) C4'-P energy: -18.322
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -19.485
flat angles P-C4'-P energy: -7.705
tors. eta vs tors. theta energy: -16.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -199.888980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.888980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.888980 (E_RNA)
where:
Base-Base interactions energy: -127.365
where: short stacking energy: -67.834
Base-Backbone interact. energy: 1.015
local terms energy: -73.538712
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -13.865
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -14.810
tors. eta vs tors. theta energy: -17.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -172.967271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.967271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.967271 (E_RNA)
where:
Base-Base interactions energy: -105.797
where: short stacking energy: -44.418
Base-Backbone interact. energy: -0.218
local terms energy: -66.952669
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -19.678
flat angles C4'-P-C4' energy: -9.885
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -11.930
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: 10
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -148.124183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.124183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.124183 (E_RNA)
where:
Base-Base interactions energy: -86.501
where: short stacking energy: -45.062
Base-Backbone interact. energy: -0.197
local terms energy: -61.426704
where:
bonds (distance) C4'-P energy: -18.879
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -8.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -139.910457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.910457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.910457 (E_RNA)
where:
Base-Base interactions energy: -76.665
where: short stacking energy: -33.166
Base-Backbone interact. energy: -0.712
local terms energy: -62.533087
where:
bonds (distance) C4'-P energy: -17.792
bonds (distance) P-C4' energy: -12.244
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -7.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -86.458812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.458812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.458812 (E_RNA)
where:
Base-Base interactions energy: -30.145
where: short stacking energy: -30.145
Base-Backbone interact. energy: -0.082
local terms energy: -56.232143
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -11.435
flat angles P-C4'-P energy: -6.100
tors. eta vs tors. theta energy: -3.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -228.361213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.361213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.361213 (E_RNA)
where:
Base-Base interactions energy: -143.941
where: short stacking energy: -67.784
Base-Backbone interact. energy: -1.291
local terms energy: -83.129343
where:
bonds (distance) C4'-P energy: -18.573
bonds (distance) P-C4' energy: -20.165
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -14.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -214.048091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.048091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.048091 (E_RNA)
where:
Base-Base interactions energy: -134.853
where: short stacking energy: -70.934
Base-Backbone interact. energy: -0.169
local terms energy: -79.025538
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -12.966
tors. eta vs tors. theta energy: -19.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -196.843748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.843748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.843748 (E_RNA)
where:
Base-Base interactions energy: -125.903
where: short stacking energy: -52.577
Base-Backbone interact. energy: -0.094
local terms energy: -70.847158
where:
bonds (distance) C4'-P energy: -17.546
bonds (distance) P-C4' energy: -19.296
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -5.816
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: 4, replica: 8
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -215.360117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.360117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.360117 (E_RNA)
where:
Base-Base interactions energy: -143.126
where: short stacking energy: -68.406
Base-Backbone interact. energy: -0.057
local terms energy: -72.176469
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -11.486
flat angles C4'-P-C4' energy: -18.430
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -16.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -195.348587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.348587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.348587 (E_RNA)
where:
Base-Base interactions energy: -120.647
where: short stacking energy: -59.938
Base-Backbone interact. energy: -0.017
local terms energy: -74.684614
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -19.442
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: -18.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -199.138268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.138268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.138268 (E_RNA)
where:
Base-Base interactions energy: -131.902
where: short stacking energy: -61.224
Base-Backbone interact. energy: -0.195
local terms energy: -67.040510
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -15.518
flat angles C4'-P-C4' energy: -17.292
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: -13.479
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: 7, replica: 9
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -180.258001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.258001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.258001 (E_RNA)
where:
Base-Base interactions energy: -110.326
where: short stacking energy: -56.290
Base-Backbone interact. energy: -0.157
local terms energy: -69.775133
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -18.087
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -7.751
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: 8, replica: 10
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -147.914560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.914560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.914560 (E_RNA)
where:
Base-Base interactions energy: -83.517
where: short stacking energy: -37.577
Base-Backbone interact. energy: -0.131
local terms energy: -64.267029
where:
bonds (distance) C4'-P energy: -10.402
bonds (distance) P-C4' energy: -18.627
flat angles C4'-P-C4' energy: -17.479
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -9.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -160.116010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.116010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.116010 (E_RNA)
where:
Base-Base interactions energy: -93.138
where: short stacking energy: -38.393
Base-Backbone interact. energy: -0.126
local terms energy: -66.852400
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -12.208
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -15.311
tors. eta vs tors. theta energy: -11.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -92.253249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.253249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.253249 (E_RNA)
where:
Base-Base interactions energy: -32.871
where: short stacking energy: -32.871
Base-Backbone interact. energy: 0.627
local terms energy: -60.008969
where:
bonds (distance) C4'-P energy: -10.837
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -13.627
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: 1, replica: 7
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -233.043789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.043789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.043789 (E_RNA)
where:
Base-Base interactions energy: -152.004
where: short stacking energy: -75.371
Base-Backbone interact. energy: -0.097
local terms energy: -80.943218
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -18.672
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -18.957
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: 2, replica: 3
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -220.717453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.717453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.717453 (E_RNA)
where:
Base-Base interactions energy: -141.347
where: short stacking energy: -73.078
Base-Backbone interact. energy: -0.053
local terms energy: -79.317652
where:
bonds (distance) C4'-P energy: -18.623
bonds (distance) P-C4' energy: -18.544
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: -16.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -221.984972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.984972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.984972 (E_RNA)
where:
Base-Base interactions energy: -137.018
where: short stacking energy: -65.258
Base-Backbone interact. energy: -0.088
local terms energy: -84.879121
where:
bonds (distance) C4'-P energy: -17.365
bonds (distance) P-C4' energy: -19.224
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -14.487
tors. eta vs tors. theta energy: -20.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -198.826187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.826187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.826187 (E_RNA)
where:
Base-Base interactions energy: -123.962
where: short stacking energy: -62.642
Base-Backbone interact. energy: -0.081
local terms energy: -74.783172
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -19.368
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -4.128
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: 5, replica: 2
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -210.134218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.134218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.134218 (E_RNA)
where:
Base-Base interactions energy: -129.677
where: short stacking energy: -68.275
Base-Backbone interact. energy: -0.325
local terms energy: -80.132215
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -20.824
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: -14.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -186.942005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.942005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.942005 (E_RNA)
where:
Base-Base interactions energy: -121.922
where: short stacking energy: -63.435
Base-Backbone interact. energy: 0.655
local terms energy: -65.674991
where:
bonds (distance) C4'-P energy: -10.600
bonds (distance) P-C4' energy: -10.934
flat angles C4'-P-C4' energy: -11.005
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -22.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -171.145581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.145581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.145581 (E_RNA)
where:
Base-Base interactions energy: -101.285
where: short stacking energy: -51.807
Base-Backbone interact. energy: -0.007
local terms energy: -69.854038
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -14.472
flat angles P-C4'-P energy: -9.324
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: 10
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -92.224807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.224807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.224807 (E_RNA)
where:
Base-Base interactions energy: -38.722
where: short stacking energy: -38.722
Base-Backbone interact. energy: -0.034
local terms energy: -53.468253
where:
bonds (distance) C4'-P energy: -11.135
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -6.741
tors. eta vs tors. theta energy: -5.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -101.816744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.816744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.816744 (E_RNA)
where:
Base-Base interactions energy: -37.231
where: short stacking energy: -37.231
Base-Backbone interact. energy: -0.102
local terms energy: -64.483387
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -9.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -92.656172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.656172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.656172 (E_RNA)
where:
Base-Base interactions energy: -46.324
where: short stacking energy: -20.442
Base-Backbone interact. energy: -0.291
local terms energy: -46.041518
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: 0.347
tors. eta vs tors. theta energy: -0.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -227.662877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.662877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.662877 (E_RNA)
where:
Base-Base interactions energy: -137.781
where: short stacking energy: -65.248
Base-Backbone interact. energy: -0.490
local terms energy: -89.392154
where:
bonds (distance) C4'-P energy: -18.322
bonds (distance) P-C4' energy: -18.734
flat angles C4'-P-C4' energy: -20.631
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -20.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -218.435611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.435611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.435611 (E_RNA)
where:
Base-Base interactions energy: -139.149
where: short stacking energy: -65.987
Base-Backbone interact. energy: -0.072
local terms energy: -79.215341
where:
bonds (distance) C4'-P energy: -18.024
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -11.560
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -18.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -201.037599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.037599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.037599 (E_RNA)
where:
Base-Base interactions energy: -116.227
where: short stacking energy: -64.592
Base-Backbone interact. energy: -0.083
local terms energy: -84.728306
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -20.147
flat angles C4'-P-C4' energy: -19.495
flat angles P-C4'-P energy: -13.806
tors. eta vs tors. theta energy: -17.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -181.957608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.957608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.957608 (E_RNA)
where:
Base-Base interactions energy: -109.333
where: short stacking energy: -55.195
Base-Backbone interact. energy: -0.052
local terms energy: -72.572343
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -15.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -197.881509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.881509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.881509 (E_RNA)
where:
Base-Base interactions energy: -123.130
where: short stacking energy: -56.259
Base-Backbone interact. energy: -0.282
local terms energy: -74.469452
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -19.064
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -13.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -164.495324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.495324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.495324 (E_RNA)
where:
Base-Base interactions energy: -93.019
where: short stacking energy: -47.547
Base-Backbone interact. energy: 0.244
local terms energy: -71.720461
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -20.634
flat angles C4'-P-C4' energy: -18.311
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -8.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -177.748701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.748701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.748701 (E_RNA)
where:
Base-Base interactions energy: -103.624
where: short stacking energy: -51.800
Base-Backbone interact. energy: 0.624
local terms energy: -74.748881
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -18.566
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: -13.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -87.852965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.852965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.852965 (E_RNA)
where:
Base-Base interactions energy: -27.986
where: short stacking energy: -26.133
Base-Backbone interact. energy: -0.013
local terms energy: -59.853579
where:
bonds (distance) C4'-P energy: -17.569
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -11.459
flat angles P-C4'-P energy: -8.831
tors. eta vs tors. theta energy: -3.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -93.162825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.162825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.162825 (E_RNA)
where:
Base-Base interactions energy: -35.115
where: short stacking energy: -35.115
Base-Backbone interact. energy: -0.188
local terms energy: -57.860045
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -3.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -103.962013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.962013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.962013 (E_RNA)
where:
Base-Base interactions energy: -46.088
where: short stacking energy: -21.428
Base-Backbone interact. energy: -0.268
local terms energy: -57.605888
where:
bonds (distance) C4'-P energy: -16.812
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -3.841
tors. eta vs tors. theta energy: -4.347
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: 7
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -230.006450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.006450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.006450 (E_RNA)
where:
Base-Base interactions energy: -153.218
where: short stacking energy: -70.816
Base-Backbone interact. energy: -0.095
local terms energy: -76.693535
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -17.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -222.309798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.309798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.309798 (E_RNA)
where:
Base-Base interactions energy: -148.261
where: short stacking energy: -66.813
Base-Backbone interact. energy: -0.100
local terms energy: -73.948593
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: -18.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -199.225402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.225402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.225402 (E_RNA)
where:
Base-Base interactions energy: -129.142
where: short stacking energy: -64.466
Base-Backbone interact. energy: 1.064
local terms energy: -71.147796
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -17.830
flat angles C4'-P-C4' energy: -19.542
flat angles P-C4'-P energy: -7.129
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: 4, replica: 3
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -195.070189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.070189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.070189 (E_RNA)
where:
Base-Base interactions energy: -119.845
where: short stacking energy: -58.741
Base-Backbone interact. energy: 0.185
local terms energy: -75.410569
where:
bonds (distance) C4'-P energy: -17.092
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -14.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -193.492780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.492780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.492780 (E_RNA)
where:
Base-Base interactions energy: -114.893
where: short stacking energy: -69.025
Base-Backbone interact. energy: -0.591
local terms energy: -78.009316
where:
bonds (distance) C4'-P energy: -16.931
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -18.024
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -16.731
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: 9
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -167.687526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.687526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.687526 (E_RNA)
where:
Base-Base interactions energy: -94.216
where: short stacking energy: -42.985
Base-Backbone interact. energy: -0.840
local terms energy: -72.630839
where:
bonds (distance) C4'-P energy: -16.035
bonds (distance) P-C4' energy: -17.247
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -12.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -185.258465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.258465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.258465 (E_RNA)
where:
Base-Base interactions energy: -117.246
where: short stacking energy: -60.157
Base-Backbone interact. energy: -0.173
local terms energy: -67.839575
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -16.095
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -15.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -106.629355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.629355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.629355 (E_RNA)
where:
Base-Base interactions energy: -44.134
where: short stacking energy: -44.934
Base-Backbone interact. energy: -0.106
local terms energy: -62.389390
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -14.559
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -5.797
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: 9, replica: 4
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -83.280818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.280818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.280818 (E_RNA)
where:
Base-Base interactions energy: -36.226
where: short stacking energy: -30.418
Base-Backbone interact. energy: -0.144
local terms energy: -46.910652
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -5.158
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: -0.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -85.569094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.569094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.569094 (E_RNA)
where:
Base-Base interactions energy: -32.811
where: short stacking energy: -32.811
Base-Backbone interact. energy: -0.489
local terms energy: -52.268467
where:
bonds (distance) C4'-P energy: -18.247
bonds (distance) P-C4' energy: -10.874
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -5.629
tors. eta vs tors. theta energy: -3.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -241.931087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.931087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.931087 (E_RNA)
where:
Base-Base interactions energy: -159.470
where: short stacking energy: -78.570
Base-Backbone interact. energy: -0.097
local terms energy: -82.363990
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -17.106
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -22.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -234.034044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.034044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.034044 (E_RNA)
where:
Base-Base interactions energy: -152.680
where: short stacking energy: -70.945
Base-Backbone interact. energy: -0.088
local terms energy: -81.265527
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -19.141
flat angles C4'-P-C4' energy: -17.754
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -20.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -189.290681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.290681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.290681 (E_RNA)
where:
Base-Base interactions energy: -118.148
where: short stacking energy: -56.366
Base-Backbone interact. energy: -0.111
local terms energy: -71.032147
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -19.126
flat angles C4'-P-C4' energy: -16.816
flat angles P-C4'-P energy: -13.507
tors. eta vs tors. theta energy: -7.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -204.908487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.908487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.908487 (E_RNA)
where:
Base-Base interactions energy: -128.408
where: short stacking energy: -69.130
Base-Backbone interact. energy: -0.138
local terms energy: -76.361584
where:
bonds (distance) C4'-P energy: -15.938
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -17.732
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -15.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -192.086046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.086046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.086046 (E_RNA)
where:
Base-Base interactions energy: -116.945
where: short stacking energy: -65.838
Base-Backbone interact. energy: -0.114
local terms energy: -75.026814
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -15.974
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -13.933
tors. eta vs tors. theta energy: -14.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -174.462532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.462532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.462532 (E_RNA)
where:
Base-Base interactions energy: -115.176
where: short stacking energy: -51.975
Base-Backbone interact. energy: 0.383
local terms energy: -59.669002
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -10.316
flat angles P-C4'-P energy: -6.032
tors. eta vs tors. theta energy: -13.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -165.786035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.786035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.786035 (E_RNA)
where:
Base-Base interactions energy: -100.740
where: short stacking energy: -54.638
Base-Backbone interact. energy: -0.746
local terms energy: -64.299548
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -11.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -89.959945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.959945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.959945 (E_RNA)
where:
Base-Base interactions energy: -28.265
where: short stacking energy: -28.265
Base-Backbone interact. energy: 1.132
local terms energy: -62.827510
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -13.590
tors. eta vs tors. theta energy: -4.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -89.188560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.188560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.188560 (E_RNA)
where:
Base-Base interactions energy: -29.602
where: short stacking energy: -29.602
Base-Backbone interact. energy: 3.493
local terms energy: -63.079315
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -15.312
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -6.044
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: 10
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -95.475439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.475439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.475439 (E_RNA)
where:
Base-Base interactions energy: -39.974
where: short stacking energy: -34.304
Base-Backbone interact. energy: -0.154
local terms energy: -55.347033
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -5.405
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: 1, replica: 8
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -234.507566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.507566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.507566 (E_RNA)
where:
Base-Base interactions energy: -145.494
where: short stacking energy: -70.673
Base-Backbone interact. energy: 0.406
local terms energy: -89.419593
where:
bonds (distance) C4'-P energy: -19.605
bonds (distance) P-C4' energy: -17.360
flat angles C4'-P-C4' energy: -17.636
flat angles P-C4'-P energy: -12.985
tors. eta vs tors. theta energy: -21.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -219.317111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.317111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.317111 (E_RNA)
where:
Base-Base interactions energy: -139.101
where: short stacking energy: -62.054
Base-Backbone interact. energy: -0.125
local terms energy: -80.091403
where:
bonds (distance) C4'-P energy: -20.047
bonds (distance) P-C4' energy: -15.106
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -12.633
tors. eta vs tors. theta energy: -17.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -216.667509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.667509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.667509 (E_RNA)
where:
Base-Base interactions energy: -128.398
where: short stacking energy: -70.158
Base-Backbone interact. energy: 0.903
local terms energy: -89.173187
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -20.123
flat angles C4'-P-C4' energy: -17.751
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -23.296
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: 6
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -195.487625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.487625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.487625 (E_RNA)
where:
Base-Base interactions energy: -121.109
where: short stacking energy: -56.937
Base-Backbone interact. energy: -0.501
local terms energy: -73.877006
where:
bonds (distance) C4'-P energy: -16.122
bonds (distance) P-C4' energy: -16.478
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -14.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -175.236311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.236311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.236311 (E_RNA)
where:
Base-Base interactions energy: -105.927
where: short stacking energy: -59.847
Base-Backbone interact. energy: -0.053
local terms energy: -69.256341
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -15.823
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -11.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -191.756695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.756695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.756695 (E_RNA)
where:
Base-Base interactions energy: -117.484
where: short stacking energy: -64.705
Base-Backbone interact. energy: -0.027
local terms energy: -74.245254
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -17.992
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -14.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -109.628093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.628093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.628093 (E_RNA)
where:
Base-Base interactions energy: -47.061
where: short stacking energy: -31.941
Base-Backbone interact. energy: -0.140
local terms energy: -62.427944
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -18.472
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -6.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -162.332049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.332049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.332049 (E_RNA)
where:
Base-Base interactions energy: -93.326
where: short stacking energy: -49.076
Base-Backbone interact. energy: -0.360
local terms energy: -68.645548
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -18.727
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -9.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -103.193949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.193949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.193949 (E_RNA)
where:
Base-Base interactions energy: -33.292
where: short stacking energy: -33.292
Base-Backbone interact. energy: -0.093
local terms energy: -69.809464
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -20.570
flat angles C4'-P-C4' energy: -18.376
flat angles P-C4'-P energy: -8.923
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: 10
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -93.441879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.441879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.441879 (E_RNA)
where:
Base-Base interactions energy: -38.316
where: short stacking energy: -31.564
Base-Backbone interact. energy: -0.121
local terms energy: -55.005143
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -18.103
flat angles C4'-P-C4' energy: -11.703
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -4.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -232.296186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.296186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.296186 (E_RNA)
where:
Base-Base interactions energy: -145.930
where: short stacking energy: -67.120
Base-Backbone interact. energy: -0.146
local terms energy: -86.219888
where:
bonds (distance) C4'-P energy: -15.496
bonds (distance) P-C4' energy: -20.411
flat angles C4'-P-C4' energy: -19.644
flat angles P-C4'-P energy: -13.560
tors. eta vs tors. theta energy: -17.109
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: 2
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -225.798215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.798215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.798215 (E_RNA)
where:
Base-Base interactions energy: -132.266
where: short stacking energy: -79.908
Base-Backbone interact. energy: -0.001
local terms energy: -93.531481
where:
bonds (distance) C4'-P energy: -17.680
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -20.777
flat angles P-C4'-P energy: -13.491
tors. eta vs tors. theta energy: -24.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -211.299575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.299575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.299575 (E_RNA)
where:
Base-Base interactions energy: -125.932
where: short stacking energy: -63.697
Base-Backbone interact. energy: -0.122
local terms energy: -85.245259
where:
bonds (distance) C4'-P energy: -18.963
bonds (distance) P-C4' energy: -20.243
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -9.264
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: 4, replica: 6
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -199.790757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.790757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.790757 (E_RNA)
where:
Base-Base interactions energy: -120.684
where: short stacking energy: -67.869
Base-Backbone interact. energy: -0.018
local terms energy: -79.088182
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -16.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -184.684924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.684924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.684924 (E_RNA)
where:
Base-Base interactions energy: -107.129
where: short stacking energy: -56.838
Base-Backbone interact. energy: -0.106
local terms energy: -77.450482
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -18.214
flat angles C4'-P-C4' energy: -19.673
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -12.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -190.175718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.175718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.175718 (E_RNA)
where:
Base-Base interactions energy: -117.208
where: short stacking energy: -63.390
Base-Backbone interact. energy: -0.088
local terms energy: -72.879148
where:
bonds (distance) C4'-P energy: -10.058
bonds (distance) P-C4' energy: -14.739
flat angles C4'-P-C4' energy: -16.648
flat angles P-C4'-P energy: -13.797
tors. eta vs tors. theta energy: -17.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -97.549595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.549595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.549595 (E_RNA)
where:
Base-Base interactions energy: -34.221
where: short stacking energy: -28.041
Base-Backbone interact. energy: 2.721
local terms energy: -66.049704
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -19.765
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -12.116
tors. eta vs tors. theta energy: -2.964
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: 8, replica: 5
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -167.506755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.506755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.506755 (E_RNA)
where:
Base-Base interactions energy: -94.410
where: short stacking energy: -45.705
Base-Backbone interact. energy: -0.003
local terms energy: -73.093122
where:
bonds (distance) C4'-P energy: -19.116
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -13.920
tors. eta vs tors. theta energy: -7.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -89.503772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.503772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.503772 (E_RNA)
where:
Base-Base interactions energy: -41.244
where: short stacking energy: -30.873
Base-Backbone interact. energy: -0.470
local terms energy: -47.789662
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -4.101
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: 10, replica: 10
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -86.929045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.929045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.929045 (E_RNA)
where:
Base-Base interactions energy: -34.412
where: short stacking energy: -34.412
Base-Backbone interact. energy: -0.013
local terms energy: -52.503792
where:
bonds (distance) C4'-P energy: -12.018
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -6.395
tors. eta vs tors. theta energy: -2.420
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: 2
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -219.377811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.377811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.377811 (E_RNA)
where:
Base-Base interactions energy: -132.742
where: short stacking energy: -75.896
Base-Backbone interact. energy: -0.030
local terms energy: -86.605823
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -20.305
flat angles P-C4'-P energy: -13.478
tors. eta vs tors. theta energy: -21.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -222.992638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.992638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.992638 (E_RNA)
where:
Base-Base interactions energy: -141.611
where: short stacking energy: -68.181
Base-Backbone interact. energy: -0.095
local terms energy: -81.286833
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -18.717
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -14.223
tors. eta vs tors. theta energy: -19.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -206.624477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.624477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.624477 (E_RNA)
where:
Base-Base interactions energy: -138.357
where: short stacking energy: -61.555
Base-Backbone interact. energy: -0.106
local terms energy: -68.160781
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -12.956
flat angles C4'-P-C4' energy: -21.606
flat angles P-C4'-P energy: -7.545
tors. eta vs tors. theta energy: -13.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -201.416500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.416500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.416500 (E_RNA)
where:
Base-Base interactions energy: -125.104
where: short stacking energy: -62.822
Base-Backbone interact. energy: -0.045
local terms energy: -76.267470
where:
bonds (distance) C4'-P energy: -17.601
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -7.928
tors. eta vs tors. theta energy: -17.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -207.582526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.582526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.582526 (E_RNA)
where:
Base-Base interactions energy: -128.718
where: short stacking energy: -59.460
Base-Backbone interact. energy: -0.095
local terms energy: -78.769404
where:
bonds (distance) C4'-P energy: -14.362
bonds (distance) P-C4' energy: -16.211
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -13.306
tors. eta vs tors. theta energy: -19.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -182.836201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.836201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.836201 (E_RNA)
where:
Base-Base interactions energy: -116.495
where: short stacking energy: -55.436
Base-Backbone interact. energy: 0.573
local terms energy: -66.914048
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -8.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -175.960330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.960330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.960330 (E_RNA)
where:
Base-Base interactions energy: -111.330
where: short stacking energy: -50.483
Base-Backbone interact. energy: -0.172
local terms energy: -64.458350
where:
bonds (distance) C4'-P energy: -20.292
bonds (distance) P-C4' energy: -13.315
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -5.450
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: 8, replica: 4
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -113.459103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.459103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.459103 (E_RNA)
where:
Base-Base interactions energy: -45.534
where: short stacking energy: -44.470
Base-Backbone interact. energy: -0.083
local terms energy: -67.842185
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -12.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -87.516179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.516179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.516179 (E_RNA)
where:
Base-Base interactions energy: -32.551
where: short stacking energy: -20.353
Base-Backbone interact. energy: -0.220
local terms energy: -54.745788
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -19.846
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -8.321
tors. eta vs tors. theta energy: -0.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -86.430804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.430804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.430804 (E_RNA)
where:
Base-Base interactions energy: -28.650
where: short stacking energy: -25.264
Base-Backbone interact. energy: -0.436
local terms energy: -57.344502
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -17.801
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: 0.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -222.951555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.951555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.951555 (E_RNA)
where:
Base-Base interactions energy: -134.466
where: short stacking energy: -78.445
Base-Backbone interact. energy: -0.002
local terms energy: -88.483399
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -19.170
flat angles C4'-P-C4' energy: -19.155
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: -22.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -220.774274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.774274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.774274 (E_RNA)
where:
Base-Base interactions energy: -135.752
where: short stacking energy: -63.233
Base-Backbone interact. energy: -0.697
local terms energy: -84.324507
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -18.924
flat angles C4'-P-C4' energy: -20.029
flat angles P-C4'-P energy: -13.575
tors. eta vs tors. theta energy: -16.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -213.194377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.194377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.194377 (E_RNA)
where:
Base-Base interactions energy: -131.079
where: short stacking energy: -71.455
Base-Backbone interact. energy: -0.126
local terms energy: -81.989222
where:
bonds (distance) C4'-P energy: -9.547
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -18.185
flat angles P-C4'-P energy: -14.137
tors. eta vs tors. theta energy: -21.788
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: 3
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -214.524607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.524607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.524607 (E_RNA)
where:
Base-Base interactions energy: -138.571
where: short stacking energy: -74.021
Base-Backbone interact. energy: -0.267
local terms energy: -75.686894
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -16.742
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -20.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -197.826093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.826093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.826093 (E_RNA)
where:
Base-Base interactions energy: -116.375
where: short stacking energy: -63.293
Base-Backbone interact. energy: -0.256
local terms energy: -81.194799
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -18.981
flat angles C4'-P-C4' energy: -18.890
flat angles P-C4'-P energy: -12.744
tors. eta vs tors. theta energy: -13.273
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: 5
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -184.605780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.605780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.605780 (E_RNA)
where:
Base-Base interactions energy: -119.389
where: short stacking energy: -63.003
Base-Backbone interact. energy: -0.102
local terms energy: -65.114333
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -12.516
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -13.644
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: 7, replica: 9
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -168.658856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.658856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.658856 (E_RNA)
where:
Base-Base interactions energy: -94.410
where: short stacking energy: -47.910
Base-Backbone interact. energy: -0.166
local terms energy: -74.082824
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -20.088
flat angles C4'-P-C4' energy: -18.222
flat angles P-C4'-P energy: -5.860
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: 8, replica: 10
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -99.175222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.175222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.175222 (E_RNA)
where:
Base-Base interactions energy: -45.238
where: short stacking energy: -28.719
Base-Backbone interact. energy: -0.318
local terms energy: -53.619692
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -9.991
flat angles P-C4'-P energy: -13.098
tors. eta vs tors. theta energy: 0.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -89.407974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.407974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.407974 (E_RNA)
where:
Base-Base interactions energy: -31.838
where: short stacking energy: -24.444
Base-Backbone interact. energy: -0.310
local terms energy: -57.259945
where:
bonds (distance) C4'-P energy: -14.121
bonds (distance) P-C4' energy: -20.061
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: 4.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -95.673904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.673904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.673904 (E_RNA)
where:
Base-Base interactions energy: -43.878
where: short stacking energy: -25.179
Base-Backbone interact. energy: -0.128
local terms energy: -51.667524
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -19.689
flat angles P-C4'-P energy: 0.309
tors. eta vs tors. theta energy: -4.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -235.655381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.655381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.655381 (E_RNA)
where:
Base-Base interactions energy: -152.167
where: short stacking energy: -68.987
Base-Backbone interact. energy: -0.691
local terms energy: -82.797123
where:
bonds (distance) C4'-P energy: -19.419
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -17.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -227.887787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.887787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.887787 (E_RNA)
where:
Base-Base interactions energy: -142.557
where: short stacking energy: -68.804
Base-Backbone interact. energy: -0.114
local terms energy: -85.216763
where:
bonds (distance) C4'-P energy: -19.161
bonds (distance) P-C4' energy: -20.864
flat angles C4'-P-C4' energy: -18.431
flat angles P-C4'-P energy: -10.457
tors. eta vs tors. theta energy: -16.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -215.346479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.346479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.346479 (E_RNA)
where:
Base-Base interactions energy: -141.719
where: short stacking energy: -65.027
Base-Backbone interact. energy: -0.606
local terms energy: -73.021881
where:
bonds (distance) C4'-P energy: -17.941
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -14.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -204.104568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.104568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.104568 (E_RNA)
where:
Base-Base interactions energy: -127.536
where: short stacking energy: -66.033
Base-Backbone interact. energy: -0.102
local terms energy: -76.466083
where:
bonds (distance) C4'-P energy: -11.450
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -13.187
tors. eta vs tors. theta energy: -16.789
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: 6
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -194.820196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.820196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.820196 (E_RNA)
where:
Base-Base interactions energy: -115.547
where: short stacking energy: -53.648
Base-Backbone interact. energy: -0.086
local terms energy: -79.187327
where:
bonds (distance) C4'-P energy: -18.591
bonds (distance) P-C4' energy: -18.512
flat angles C4'-P-C4' energy: -17.444
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -14.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -163.484584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.484584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.484584 (E_RNA)
where:
Base-Base interactions energy: -93.099
where: short stacking energy: -50.531
Base-Backbone interact. energy: -0.091
local terms energy: -70.294995
where:
bonds (distance) C4'-P energy: -11.352
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -12.910
tors. eta vs tors. theta energy: -11.863
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: 9
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -179.329290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.329290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.329290 (E_RNA)
where:
Base-Base interactions energy: -110.213
where: short stacking energy: -52.941
Base-Backbone interact. energy: -0.201
local terms energy: -68.915232
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -12.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -87.869762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.869762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.869762 (E_RNA)
where:
Base-Base interactions energy: -28.926
where: short stacking energy: -27.256
Base-Backbone interact. energy: 0.331
local terms energy: -59.274603
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -12.648
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: 9, replica: 1
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -109.477128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.477128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.477128 (E_RNA)
where:
Base-Base interactions energy: -47.599
where: short stacking energy: -33.865
Base-Backbone interact. energy: -0.286
local terms energy: -61.591295
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -20.821
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -0.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -86.480238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.480238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.480238 (E_RNA)
where:
Base-Base interactions energy: -34.394
where: short stacking energy: -29.450
Base-Backbone interact. energy: -0.095
local terms energy: -51.990971
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -18.001
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -5.365
tors. eta vs tors. theta energy: -2.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -242.774815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.774815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.774815 (E_RNA)
where:
Base-Base interactions energy: -157.265
where: short stacking energy: -67.343
Base-Backbone interact. energy: -0.730
local terms energy: -84.780423
where:
bonds (distance) C4'-P energy: -17.895
bonds (distance) P-C4' energy: -18.693
flat angles C4'-P-C4' energy: -18.013
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -20.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -224.827250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.827250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.827250 (E_RNA)
where:
Base-Base interactions energy: -145.149
where: short stacking energy: -62.751
Base-Backbone interact. energy: -0.100
local terms energy: -79.578167
where:
bonds (distance) C4'-P energy: -18.032
bonds (distance) P-C4' energy: -16.775
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -9.324
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: 3, replica: 2
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -222.857961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.857961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.857961 (E_RNA)
where:
Base-Base interactions energy: -142.832
where: short stacking energy: -69.403
Base-Backbone interact. energy: -0.100
local terms energy: -79.925598
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -12.151
tors. eta vs tors. theta energy: -17.263
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: 4, replica: 6
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -195.990113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.990113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.990113 (E_RNA)
where:
Base-Base interactions energy: -116.263
where: short stacking energy: -67.522
Base-Backbone interact. energy: -0.067
local terms energy: -79.660252
where:
bonds (distance) C4'-P energy: -16.577
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -18.661
flat angles P-C4'-P energy: -13.151
tors. eta vs tors. theta energy: -15.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -189.588367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.588367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.588367 (E_RNA)
where:
Base-Base interactions energy: -122.159
where: short stacking energy: -59.379
Base-Backbone interact. energy: -0.354
local terms energy: -67.075792
where:
bonds (distance) C4'-P energy: -9.744
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -12.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -181.716590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.716590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.716590 (E_RNA)
where:
Base-Base interactions energy: -110.847
where: short stacking energy: -48.765
Base-Backbone interact. energy: 0.123
local terms energy: -70.992889
where:
bonds (distance) C4'-P energy: -19.902
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -6.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -161.360323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.360323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.360323 (E_RNA)
where:
Base-Base interactions energy: -93.967
where: short stacking energy: -47.397
Base-Backbone interact. energy: -0.126
local terms energy: -67.266954
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -13.224
flat angles C4'-P-C4' energy: -18.525
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -8.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -100.216679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.216679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.216679 (E_RNA)
where:
Base-Base interactions energy: -42.437
where: short stacking energy: -28.702
Base-Backbone interact. energy: -0.164
local terms energy: -57.615666
where:
bonds (distance) C4'-P energy: -10.106
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: -4.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -85.210300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.210300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.210300 (E_RNA)
where:
Base-Base interactions energy: -38.015
where: short stacking energy: -33.408
Base-Backbone interact. energy: -0.954
local terms energy: -46.242053
where:
bonds (distance) C4'-P energy: -8.700
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -7.832
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: 10, replica: 4
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -81.663947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.663947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.663947 (E_RNA)
where:
Base-Base interactions energy: -21.749
where: short stacking energy: -21.749
Base-Backbone interact. energy: 0.273
local terms energy: -60.187079
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -7.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -245.080997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.080997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.080997 (E_RNA)
where:
Base-Base interactions energy: -167.640
where: short stacking energy: -81.084
Base-Backbone interact. energy: -0.087
local terms energy: -77.353577
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -18.104
flat angles C4'-P-C4' energy: -17.484
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -18.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -232.448682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.448682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.448682 (E_RNA)
where:
Base-Base interactions energy: -157.072
where: short stacking energy: -75.583
Base-Backbone interact. energy: -0.098
local terms energy: -75.278098
where:
bonds (distance) C4'-P energy: -16.313
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -6.075
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: 3, replica: 6
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -226.569704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.569704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.569704 (E_RNA)
where:
Base-Base interactions energy: -141.721
where: short stacking energy: -75.674
Base-Backbone interact. energy: -0.028
local terms energy: -84.820794
where:
bonds (distance) C4'-P energy: -16.073
bonds (distance) P-C4' energy: -18.198
flat angles C4'-P-C4' energy: -17.366
flat angles P-C4'-P energy: -13.548
tors. eta vs tors. theta energy: -19.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -204.999168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.999168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.999168 (E_RNA)
where:
Base-Base interactions energy: -123.881
where: short stacking energy: -71.416
Base-Backbone interact. energy: -0.245
local terms energy: -80.873055
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -18.903
flat angles C4'-P-C4' energy: -18.780
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: -18.250
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: 5, replica: 3
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -195.775490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.775490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.775490 (E_RNA)
where:
Base-Base interactions energy: -114.641
where: short stacking energy: -62.373
Base-Backbone interact. energy: 0.001
local terms energy: -81.135473
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -13.707
tors. eta vs tors. theta energy: -18.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -172.898501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.898501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.898501 (E_RNA)
where:
Base-Base interactions energy: -102.851
where: short stacking energy: -48.331
Base-Backbone interact. energy: -0.385
local terms energy: -69.662655
where:
bonds (distance) C4'-P energy: -18.124
bonds (distance) P-C4' energy: -12.612
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -11.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -110.663599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.663599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.663599 (E_RNA)
where:
Base-Base interactions energy: -49.382
where: short stacking energy: -48.247
Base-Backbone interact. energy: -0.114
local terms energy: -61.168184
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -6.815
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -11.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -143.921489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.921489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.921489 (E_RNA)
where:
Base-Base interactions energy: -89.101
where: short stacking energy: -43.919
Base-Backbone interact. energy: -0.064
local terms energy: -54.756327
where:
bonds (distance) C4'-P energy: -9.066
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -9.871
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: -11.666
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: 9, replica: 4
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -91.077040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.077040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.077040 (E_RNA)
where:
Base-Base interactions energy: -33.509
where: short stacking energy: -26.048
Base-Backbone interact. energy: -0.135
local terms energy: -57.433612
where:
bonds (distance) C4'-P energy: -13.003
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -1.841
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: 1
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -85.062922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.062922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.062922 (E_RNA)
where:
Base-Base interactions energy: -33.874
where: short stacking energy: -32.796
Base-Backbone interact. energy: -0.229
local terms energy: -50.959321
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -4.964
tors. eta vs tors. theta energy: -1.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -229.337932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.337932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.337932 (E_RNA)
where:
Base-Base interactions energy: -150.074
where: short stacking energy: -68.059
Base-Backbone interact. energy: -0.150
local terms energy: -79.114066
where:
bonds (distance) C4'-P energy: -18.935
bonds (distance) P-C4' energy: -18.064
flat angles C4'-P-C4' energy: -15.998
flat angles P-C4'-P energy: -6.977
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: 2, replica: 6
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -214.207277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.207277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.207277 (E_RNA)
where:
Base-Base interactions energy: -140.116
where: short stacking energy: -74.640
Base-Backbone interact. energy: -0.036
local terms energy: -74.054883
where:
bonds (distance) C4'-P energy: -11.935
bonds (distance) P-C4' energy: -15.608
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -10.592
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: 7
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -227.933069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.933069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.933069 (E_RNA)
where:
Base-Base interactions energy: -147.975
where: short stacking energy: -74.435
Base-Backbone interact. energy: -0.098
local terms energy: -79.859688
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -17.069
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -21.567
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: 4, replica: 2
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -200.879613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.879613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.879613 (E_RNA)
where:
Base-Base interactions energy: -120.687
where: short stacking energy: -58.126
Base-Backbone interact. energy: 0.256
local terms energy: -80.448493
where:
bonds (distance) C4'-P energy: -13.537
bonds (distance) P-C4' energy: -18.144
flat angles C4'-P-C4' energy: -18.317
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -17.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -190.453159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.453159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.453159 (E_RNA)
where:
Base-Base interactions energy: -113.010
where: short stacking energy: -57.689
Base-Backbone interact. energy: -0.099
local terms energy: -77.344104
where:
bonds (distance) C4'-P energy: -19.191
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -13.342
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: 6, replica: 9
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -190.179191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.179191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.179191 (E_RNA)
where:
Base-Base interactions energy: -121.042
where: short stacking energy: -50.927
Base-Backbone interact. energy: -0.096
local terms energy: -69.041386
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -13.241
tors. eta vs tors. theta energy: -10.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -105.091363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.091363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.091363 (E_RNA)
where:
Base-Base interactions energy: -50.017
where: short stacking energy: -40.278
Base-Backbone interact. energy: -0.235
local terms energy: -54.839487
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -14.264
flat angles C4'-P-C4' energy: -11.553
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -5.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -86.164482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.164482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.164482 (E_RNA)
where:
Base-Base interactions energy: -32.587
where: short stacking energy: -32.587
Base-Backbone interact. energy: -0.333
local terms energy: -53.243955
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -16.867
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -3.051
tors. eta vs tors. theta energy: -5.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -127.473709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.473709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.473709 (E_RNA)
where:
Base-Base interactions energy: -75.307
where: short stacking energy: -37.333
Base-Backbone interact. energy: -0.177
local terms energy: -51.990344
where:
bonds (distance) C4'-P energy: -8.829
bonds (distance) P-C4' energy: -16.884
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -9.454
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: 10, replica: 1
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -103.025990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.025990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.025990 (E_RNA)
where:
Base-Base interactions energy: -52.263
where: short stacking energy: -24.608
Base-Backbone interact. energy: -0.938
local terms energy: -49.825048
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -5.751
tors. eta vs tors. theta energy: -1.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -221.011497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.011497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.011497 (E_RNA)
where:
Base-Base interactions energy: -137.167
where: short stacking energy: -68.003
Base-Backbone interact. energy: -0.090
local terms energy: -83.755150
where:
bonds (distance) C4'-P energy: -16.694
bonds (distance) P-C4' energy: -20.647
flat angles C4'-P-C4' energy: -17.452
flat angles P-C4'-P energy: -9.464
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: 2, replica: 8
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -224.736076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.736076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.736076 (E_RNA)
where:
Base-Base interactions energy: -141.191
where: short stacking energy: -64.596
Base-Backbone interact. energy: 0.784
local terms energy: -84.329111
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -19.543
flat angles P-C4'-P energy: -13.975
tors. eta vs tors. theta energy: -18.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -237.483130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.483130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.483130 (E_RNA)
where:
Base-Base interactions energy: -145.627
where: short stacking energy: -79.180
Base-Backbone interact. energy: -0.065
local terms energy: -91.791274
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -18.820
flat angles C4'-P-C4' energy: -20.061
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -25.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -212.747103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.747103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.747103 (E_RNA)
where:
Base-Base interactions energy: -133.152
where: short stacking energy: -71.234
Base-Backbone interact. energy: -0.252
local terms energy: -79.342339
where:
bonds (distance) C4'-P energy: -16.970
bonds (distance) P-C4' energy: -16.993
flat angles C4'-P-C4' energy: -17.623
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -16.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -202.138767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.138767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.138767 (E_RNA)
where:
Base-Base interactions energy: -122.309
where: short stacking energy: -61.219
Base-Backbone interact. energy: -0.185
local terms energy: -79.645405
where:
bonds (distance) C4'-P energy: -18.437
bonds (distance) P-C4' energy: -18.737
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -19.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -185.751730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.751730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.751730 (E_RNA)
where:
Base-Base interactions energy: -131.624
where: short stacking energy: -65.886
Base-Backbone interact. energy: 0.379
local terms energy: -54.507312
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -12.879
flat angles C4'-P-C4' energy: -12.745
flat angles P-C4'-P energy: -1.875
tors. eta vs tors. theta energy: -13.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -110.358423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.358423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.358423 (E_RNA)
where:
Base-Base interactions energy: -49.920
where: short stacking energy: -49.920
Base-Backbone interact. energy: -0.162
local terms energy: -60.276016
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -18.133
flat angles C4'-P-C4' energy: -11.511
flat angles P-C4'-P energy: -8.245
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: 8, replica: 10
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -91.018656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.018656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.018656 (E_RNA)
where:
Base-Base interactions energy: -40.608
where: short stacking energy: -35.014
Base-Backbone interact. energy: 0.295
local terms energy: -50.705756
where:
bonds (distance) C4'-P energy: -5.441
bonds (distance) P-C4' energy: -19.517
flat angles C4'-P-C4' energy: -10.498
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -2.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -101.690518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.690518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.690518 (E_RNA)
where:
Base-Base interactions energy: -48.682
where: short stacking energy: -21.291
Base-Backbone interact. energy: -0.088
local terms energy: -52.919996
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -13.284
tors. eta vs tors. theta energy: 0.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -150.356159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.356159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.356159 (E_RNA)
where:
Base-Base interactions energy: -94.325
where: short stacking energy: -44.969
Base-Backbone interact. energy: -0.186
local terms energy: -55.845445
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -12.308
flat angles C4'-P-C4' energy: -6.248
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: -7.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -221.565462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.565462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.565462 (E_RNA)
where:
Base-Base interactions energy: -140.927
where: short stacking energy: -62.488
Base-Backbone interact. energy: -0.080
local terms energy: -80.559183
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -21.843
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -15.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -244.104883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.104883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.104883 (E_RNA)
where:
Base-Base interactions energy: -156.928
where: short stacking energy: -80.845
Base-Backbone interact. energy: -0.223
local terms energy: -86.953747
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -21.383
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: -21.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -211.930955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.930955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.930955 (E_RNA)
where:
Base-Base interactions energy: -137.446
where: short stacking energy: -58.729
Base-Backbone interact. energy: -0.087
local terms energy: -74.397086
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -17.258
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -10.292
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: 4, replica: 7
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -214.981498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.981498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.981498 (E_RNA)
where:
Base-Base interactions energy: -136.353
where: short stacking energy: -70.676
Base-Backbone interact. energy: -0.554
local terms energy: -78.074126
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -12.613
tors. eta vs tors. theta energy: -18.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -182.935724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.935724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.935724 (E_RNA)
where:
Base-Base interactions energy: -119.008
where: short stacking energy: -52.274
Base-Backbone interact. energy: -0.236
local terms energy: -63.691826
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -6.382
tors. eta vs tors. theta energy: -7.948
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: 6, replica: 3
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -199.088260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.088260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.088260 (E_RNA)
where:
Base-Base interactions energy: -129.221
where: short stacking energy: -59.703
Base-Backbone interact. energy: -0.294
local terms energy: -69.572651
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -17.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -102.130262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.130262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.130262 (E_RNA)
where:
Base-Base interactions energy: -45.704
where: short stacking energy: -45.704
Base-Backbone interact. energy: -0.061
local terms energy: -56.364785
where:
bonds (distance) C4'-P energy: -9.817
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -6.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -95.914204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.914204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.914204 (E_RNA)
where:
Base-Base interactions energy: -31.512
where: short stacking energy: -31.512
Base-Backbone interact. energy: -0.136
local terms energy: -64.265712
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -11.840
tors. eta vs tors. theta energy: -7.970
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: 1
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -85.733896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.733896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.733896 (E_RNA)
where:
Base-Base interactions energy: -41.120
where: short stacking energy: -21.174
Base-Backbone interact. energy: -0.313
local terms energy: -44.300774
where:
bonds (distance) C4'-P energy: -6.440
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -17.639
flat angles P-C4'-P energy: -4.744
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: 10, replica: 5
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -110.473649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.473649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.473649 (E_RNA)
where:
Base-Base interactions energy: -58.285
where: short stacking energy: -31.527
Base-Backbone interact. energy: -0.119
local terms energy: -52.069661
where:
bonds (distance) C4'-P energy: -10.592
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -7.926
tors. eta vs tors. theta energy: -0.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 2 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 19502452
moves confirmed later: 23277039
all moves confirmed: 42779491
percent of confirmed moves: 5.347436
current total energy: -210.024739
recalc. total energy: -210.024739
replica 6 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 17601782
moves confirmed later: 20556497
all moves confirmed: 38158279
percent of confirmed moves: 4.769785
current total energy: -196.031083
recalc. total energy: -196.031083
replica 7 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 22039417
moves confirmed later: 26700818
all moves confirmed: 48740235
percent of confirmed moves: 6.092529
current total energy: -165.505029
recalc. total energy: -165.505029
replica 8 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 17043504
moves confirmed later: 19921501
all moves confirmed: 36965005
percent of confirmed moves: 4.620626
current total energy: -170.636854
recalc. total energy: -170.636854
replica 3 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 21394428
moves confirmed later: 25792548
all moves confirmed: 47186976
percent of confirmed moves: 5.898372
current total energy: -168.734089
recalc. total energy: -168.734089
replica 9 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 19138376
moves confirmed later: 22786824
all moves confirmed: 41925200
percent of confirmed moves: 5.240650
current total energy: -147.295517
recalc. total energy: -147.295517
replica 10 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 24642601
moves confirmed later: 30185782
all moves confirmed: 54828383
percent of confirmed moves: 6.853548
current total energy: -58.068701
recalc. total energy: -58.068701
replica 4 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 25322346
moves confirmed later: 31068525
all moves confirmed: 56390871
percent of confirmed moves: 7.048859
current total energy: -30.389445
recalc. total energy: -30.389445
replica 5 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 21210165
moves confirmed later: 25535312
all moves confirmed: 46745477
percent of confirmed moves: 5.843185
current total energy: -77.917055
recalc. total energy: -77.917055
replica 1 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 26224464
moves confirmed later: 32243222
all moves confirmed: 58467686
percent of confirmed moves: 7.308461
current total energy: -46.478280
recalc. total energy: -46.478280
out arg RESULTS//1/pbt-A2-f1f3ac2a_01
Time of doing 8000000 iterations: 2811.831 seconds