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/MALAT1-16-a050e325/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1-16-a050e325/inputs/seq.fa: 1
curr_seq: _UUAUUUUUUAAAUCCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUAUUUUUUAAAUCCU
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 16 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: 85
n_atoms_counter: 85
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 16.000000 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/MALAT1-16-a050e325/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1-16-a050e325/inputs/seq.fa: 1
curr_seq: _UUAUUUUUUAAAUCCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUAUUUUUUAAAUCCU
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 16 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: 85
n_atoms_counter: 85
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 16.000000 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/MALAT1-16-a050e325/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1-16-a050e325/inputs/seq.fa: 1
curr_seq: _UUAUUUUUUAAAUCCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUAUUUUUUAAAUCCU
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 16 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: 85
n_atoms_counter: 85
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 16.000000 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/MALAT1-16-a050e325/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1-16-a050e325/inputs/seq.fa: 1
curr_seq: _UUAUUUUUUAAAUCCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUAUUUUUUAAAUCCU
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 16 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: 85
n_atoms_counter: 85
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 16.000000 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/MALAT1-16-a050e325/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1-16-a050e325/inputs/seq.fa: 1
curr_seq: _UUAUUUUUUAAAUCCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUAUUUUUUAAAUCCU
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 16 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: 85
n_atoms_counter: 85
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 16.000000 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/MALAT1-16-a050e325/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1-16-a050e325/inputs/seq.fa: 1
curr_seq: _UUAUUUUUUAAAUCCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUAUUUUUUAAAUCCU
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 16 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: 85
n_atoms_counter: 85
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 16.000000 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/MALAT1-16-a050e325/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1-16-a050e325/inputs/seq.fa: 1
curr_seq: _UUAUUUUUUAAAUCCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUAUUUUUUAAAUCCU
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 16 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: 85
n_atoms_counter: 85
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 16.000000 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/MALAT1-16-a050e325/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1-16-a050e325/inputs/seq.fa: 1
curr_seq: _UUAUUUUUUAAAUCCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUAUUUUUUAAAUCCU
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 16 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: 85
n_atoms_counter: 85
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 16.000000 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/MALAT1-16-a050e325/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1-16-a050e325/inputs/seq.fa: 1
curr_seq: _UUAUUUUUUAAAUCCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUAUUUUUUAAAUCCU
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 16 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: 85
n_atoms_counter: 85
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 16.000000 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/MALAT1-16-a050e325/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1-16-a050e325/inputs/seq.fa: 1
curr_seq: _UUAUUUUUUAAAUCCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUAUUUUUUAAAUCCU
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 16 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: 85
n_atoms_counter: 85
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 16.000000 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: -57.495246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.495246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.495246 (E_RNA)
where:
Base-Base interactions energy: -0.870
where: short stacking energy: -0.870
Base-Backbone interact. energy: -0.000
local terms energy: -56.625006
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -0.685
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: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -57.495246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.495246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.495246 (E_RNA)
where:
Base-Base interactions energy: -0.870
where: short stacking energy: -0.870
Base-Backbone interact. energy: -0.000
local terms energy: -56.625006
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -0.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -57.495246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.495246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.495246 (E_RNA)
where:
Base-Base interactions energy: -0.870
where: short stacking energy: -0.870
Base-Backbone interact. energy: -0.000
local terms energy: -56.625006
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -0.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -57.495246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.495246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.495246 (E_RNA)
where:
Base-Base interactions energy: -0.870
where: short stacking energy: -0.870
Base-Backbone interact. energy: -0.000
local terms energy: -56.625006
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -0.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -57.495246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.495246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.495246 (E_RNA)
where:
Base-Base interactions energy: -0.870
where: short stacking energy: -0.870
Base-Backbone interact. energy: -0.000
local terms energy: -56.625006
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -0.685
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: 1
Temperature: 1.150000
Total energy: -57.495246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.495246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.495246 (E_RNA)
where:
Base-Base interactions energy: -0.870
where: short stacking energy: -0.870
Base-Backbone interact. energy: -0.000
local terms energy: -56.625006
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -0.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -57.495246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.495246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.495246 (E_RNA)
where:
Base-Base interactions energy: -0.870
where: short stacking energy: -0.870
Base-Backbone interact. energy: -0.000
local terms energy: -56.625006
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -0.685
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: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -57.495246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.495246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.495246 (E_RNA)
where:
Base-Base interactions energy: -0.870
where: short stacking energy: -0.870
Base-Backbone interact. energy: -0.000
local terms energy: -56.625006
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -0.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -57.495246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.495246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.495246 (E_RNA)
where:
Base-Base interactions energy: -0.870
where: short stacking energy: -0.870
Base-Backbone interact. energy: -0.000
local terms energy: -56.625006
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -0.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -57.495246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.495246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.495246 (E_RNA)
where:
Base-Base interactions energy: -0.870
where: short stacking energy: -0.870
Base-Backbone interact. energy: -0.000
local terms energy: -56.625006
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -0.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -86.835601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.835601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.835601 (E_RNA)
where:
Base-Base interactions energy: -43.506
where: short stacking energy: -38.415
Base-Backbone interact. energy: -0.065
local terms energy: -43.265263
where:
bonds (distance) C4'-P energy: -12.474
bonds (distance) P-C4' energy: -6.062
flat angles C4'-P-C4' energy: -8.545
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -8.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -93.824163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.824163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.824163 (E_RNA)
where:
Base-Base interactions energy: -39.012
where: short stacking energy: -33.802
Base-Backbone interact. energy: -0.088
local terms energy: -54.723725
where:
bonds (distance) C4'-P energy: -11.670
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -12.043
flat angles P-C4'-P energy: -8.496
tors. eta vs tors. theta energy: -9.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -77.478095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.478095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.478095 (E_RNA)
where:
Base-Base interactions energy: -30.589
where: short stacking energy: -26.897
Base-Backbone interact. energy: 0.299
local terms energy: -47.187731
where:
bonds (distance) C4'-P energy: -8.388
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -3.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -92.267489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.267489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.267489 (E_RNA)
where:
Base-Base interactions energy: -58.742
where: short stacking energy: -17.691
Base-Backbone interact. energy: 1.273
local terms energy: -34.797852
where:
bonds (distance) C4'-P energy: -9.597
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -7.621
flat angles P-C4'-P energy: -6.999
tors. eta vs tors. theta energy: 2.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -68.190428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.190428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.190428 (E_RNA)
where:
Base-Base interactions energy: -21.974
where: short stacking energy: -21.166
Base-Backbone interact. energy: 1.321
local terms energy: -47.536982
where:
bonds (distance) C4'-P energy: -11.762
bonds (distance) P-C4' energy: -10.373
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -8.479
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: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -65.142972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.142972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.142972 (E_RNA)
where:
Base-Base interactions energy: -24.478
where: short stacking energy: -17.852
Base-Backbone interact. energy: -0.083
local terms energy: -40.582211
where:
bonds (distance) C4'-P energy: -11.612
bonds (distance) P-C4' energy: -9.425
flat angles C4'-P-C4' energy: -8.503
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: -3.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -122.084916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.084916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.084916 (E_RNA)
where:
Base-Base interactions energy: -77.351
where: short stacking energy: -29.043
Base-Backbone interact. energy: -0.013
local terms energy: -44.721276
where:
bonds (distance) C4'-P energy: -8.504
bonds (distance) P-C4' energy: -11.908
flat angles C4'-P-C4' energy: -8.324
flat angles P-C4'-P energy: -7.439
tors. eta vs tors. theta energy: -8.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -64.030496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.030496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.030496 (E_RNA)
where:
Base-Base interactions energy: -29.360
where: short stacking energy: -13.615
Base-Backbone interact. energy: -0.190
local terms energy: -34.480208
where:
bonds (distance) C4'-P energy: -10.669
bonds (distance) P-C4' energy: -13.795
flat angles C4'-P-C4' energy: -9.771
flat angles P-C4'-P energy: -2.192
tors. eta vs tors. theta energy: 1.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -63.182513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.182513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.182513 (E_RNA)
where:
Base-Base interactions energy: -27.383
where: short stacking energy: -13.140
Base-Backbone interact. energy: -0.121
local terms energy: -35.678833
where:
bonds (distance) C4'-P energy: -5.920
bonds (distance) P-C4' energy: -7.946
flat angles C4'-P-C4' energy: -8.632
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -5.696
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: 2
Temperature: 1.350000
Total energy: -70.421408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.421408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.421408 (E_RNA)
where:
Base-Base interactions energy: -35.020
where: short stacking energy: -8.576
Base-Backbone interact. energy: -0.051
local terms energy: -35.351032
where:
bonds (distance) C4'-P energy: -11.220
bonds (distance) P-C4' energy: -9.246
flat angles C4'-P-C4' energy: -9.742
flat angles P-C4'-P energy: -5.149
tors. eta vs tors. theta energy: 0.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -96.946461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.946461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.946461 (E_RNA)
where:
Base-Base interactions energy: -42.780
where: short stacking energy: -34.034
Base-Backbone interact. energy: -1.535
local terms energy: -52.631328
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -8.627
flat angles P-C4'-P energy: -9.590
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: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -122.791009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.791009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.791009 (E_RNA)
where:
Base-Base interactions energy: -72.681
where: short stacking energy: -26.928
Base-Backbone interact. energy: -0.226
local terms energy: -49.883805
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -8.924
flat angles C4'-P-C4' energy: -10.501
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -10.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -85.926625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.926625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.926625 (E_RNA)
where:
Base-Base interactions energy: -38.917
where: short stacking energy: -35.505
Base-Backbone interact. energy: -0.672
local terms energy: -46.337941
where:
bonds (distance) C4'-P energy: -7.759
bonds (distance) P-C4' energy: -11.564
flat angles C4'-P-C4' energy: -12.601
flat angles P-C4'-P energy: -7.193
tors. eta vs tors. theta energy: -7.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -97.955921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.955921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.955921 (E_RNA)
where:
Base-Base interactions energy: -60.021
where: short stacking energy: -15.600
Base-Backbone interact. energy: -0.231
local terms energy: -37.704108
where:
bonds (distance) C4'-P energy: -8.290
bonds (distance) P-C4' energy: -10.587
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -6.727
tors. eta vs tors. theta energy: -0.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -75.976965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.976965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.976965 (E_RNA)
where:
Base-Base interactions energy: -33.954
where: short stacking energy: -11.489
Base-Backbone interact. energy: -0.077
local terms energy: -41.946715
where:
bonds (distance) C4'-P energy: -7.911
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -9.632
flat angles P-C4'-P energy: -5.952
tors. eta vs tors. theta energy: -5.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -131.393049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.393049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.393049 (E_RNA)
where:
Base-Base interactions energy: -80.820
where: short stacking energy: -35.231
Base-Backbone interact. energy: -0.178
local terms energy: -50.395335
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -10.461
flat angles C4'-P-C4' energy: -9.493
flat angles P-C4'-P energy: -5.953
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: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -66.164598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.164598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.164598 (E_RNA)
where:
Base-Base interactions energy: -26.276
where: short stacking energy: -19.076
Base-Backbone interact. energy: -0.131
local terms energy: -39.757908
where:
bonds (distance) C4'-P energy: -11.435
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -9.570
flat angles P-C4'-P energy: -5.728
tors. eta vs tors. theta energy: -0.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -69.208652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.208652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.208652 (E_RNA)
where:
Base-Base interactions energy: -22.665
where: short stacking energy: -22.665
Base-Backbone interact. energy: -0.024
local terms energy: -46.519542
where:
bonds (distance) C4'-P energy: -10.440
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -11.144
flat angles P-C4'-P energy: -6.708
tors. eta vs tors. theta energy: -4.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -65.787076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.787076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.787076 (E_RNA)
where:
Base-Base interactions energy: -29.487
where: short stacking energy: -12.345
Base-Backbone interact. energy: -0.188
local terms energy: -36.112128
where:
bonds (distance) C4'-P energy: -11.165
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -8.734
flat angles P-C4'-P energy: -2.380
tors. eta vs tors. theta energy: -1.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -99.801549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.801549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.801549 (E_RNA)
where:
Base-Base interactions energy: -56.335
where: short stacking energy: -16.808
Base-Backbone interact. energy: -0.014
local terms energy: -43.451682
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -9.534
flat angles C4'-P-C4' energy: -10.895
flat angles P-C4'-P energy: -4.220
tors. eta vs tors. theta energy: -7.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -136.208357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.208357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.208357 (E_RNA)
where:
Base-Base interactions energy: -74.153
where: short stacking energy: -34.614
Base-Backbone interact. energy: -0.125
local terms energy: -61.930234
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -14.782
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: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -90.943198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.943198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.943198 (E_RNA)
where:
Base-Base interactions energy: -40.619
where: short stacking energy: -35.319
Base-Backbone interact. energy: -0.094
local terms energy: -50.230434
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -4.958
tors. eta vs tors. theta energy: -9.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -110.180307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.180307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.180307 (E_RNA)
where:
Base-Base interactions energy: -67.731
where: short stacking energy: -19.950
Base-Backbone interact. energy: -0.044
local terms energy: -42.405355
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -10.131
flat angles C4'-P-C4' energy: -10.373
flat angles P-C4'-P energy: -5.715
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: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -76.407110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.407110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.407110 (E_RNA)
where:
Base-Base interactions energy: -30.095
where: short stacking energy: -15.191
Base-Backbone interact. energy: -0.030
local terms energy: -46.282050
where:
bonds (distance) C4'-P energy: -12.366
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -4.560
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: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -125.723658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.723658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.723658 (E_RNA)
where:
Base-Base interactions energy: -75.266
where: short stacking energy: -32.695
Base-Backbone interact. energy: -0.057
local terms energy: -50.400323
where:
bonds (distance) C4'-P energy: -10.635
bonds (distance) P-C4' energy: -10.197
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -6.281
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: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -75.952689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.952689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.952689 (E_RNA)
where:
Base-Base interactions energy: -39.172
where: short stacking energy: -9.130
Base-Backbone interact. energy: -0.738
local terms energy: -36.042676
where:
bonds (distance) C4'-P energy: -9.543
bonds (distance) P-C4' energy: -11.970
flat angles C4'-P-C4' energy: -8.671
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: 1.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -90.156619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.156619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.156619 (E_RNA)
where:
Base-Base interactions energy: -48.616
where: short stacking energy: -22.307
Base-Backbone interact. energy: -0.003
local terms energy: -41.537556
where:
bonds (distance) C4'-P energy: -7.853
bonds (distance) P-C4' energy: -5.595
flat angles C4'-P-C4' energy: -9.934
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -8.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -57.597304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.597304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.597304 (E_RNA)
where:
Base-Base interactions energy: -12.788
where: short stacking energy: -12.788
Base-Backbone interact. energy: -0.223
local terms energy: -44.585931
where:
bonds (distance) C4'-P energy: -9.479
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -9.672
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -4.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -72.990829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.990829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.990829 (E_RNA)
where:
Base-Base interactions energy: -33.307
where: short stacking energy: -5.967
Base-Backbone interact. energy: 0.727
local terms energy: -40.410971
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -7.628
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: 1.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -77.076628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.076628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.076628 (E_RNA)
where:
Base-Base interactions energy: -32.273
where: short stacking energy: -17.176
Base-Backbone interact. energy: -0.100
local terms energy: -44.703996
where:
bonds (distance) C4'-P energy: -9.945
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -10.215
flat angles P-C4'-P energy: -8.137
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: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -143.927518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.927518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.927518 (E_RNA)
where:
Base-Base interactions energy: -88.907
where: short stacking energy: -42.900
Base-Backbone interact. energy: -0.088
local terms energy: -54.932018
where:
bonds (distance) C4'-P energy: -13.335
bonds (distance) P-C4' energy: -8.939
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -6.931
tors. eta vs tors. theta energy: -13.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -110.905302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.905302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.905302 (E_RNA)
where:
Base-Base interactions energy: -64.929
where: short stacking energy: -24.349
Base-Backbone interact. energy: 0.049
local terms energy: -46.025784
where:
bonds (distance) C4'-P energy: -9.261
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -6.666
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: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -92.626392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.626392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.626392 (E_RNA)
where:
Base-Base interactions energy: -45.450
where: short stacking energy: -23.913
Base-Backbone interact. energy: -0.004
local terms energy: -47.171839
where:
bonds (distance) C4'-P energy: -11.576
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -9.157
flat angles P-C4'-P energy: -5.320
tors. eta vs tors. theta energy: -8.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -139.119851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.119851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.119851 (E_RNA)
where:
Base-Base interactions energy: -86.774
where: short stacking energy: -41.169
Base-Backbone interact. energy: -0.011
local terms energy: -52.335040
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -8.976
flat angles C4'-P-C4' energy: -11.438
flat angles P-C4'-P energy: -5.130
tors. eta vs tors. theta energy: -14.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -91.732104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.732104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.732104 (E_RNA)
where:
Base-Base interactions energy: -40.555
where: short stacking energy: -23.568
Base-Backbone interact. energy: -0.030
local terms energy: -51.146969
where:
bonds (distance) C4'-P energy: -11.699
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -12.640
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -6.422
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: 4
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -87.084609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.084609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.084609 (E_RNA)
where:
Base-Base interactions energy: -45.120
where: short stacking energy: -12.712
Base-Backbone interact. energy: -2.454
local terms energy: -39.511157
where:
bonds (distance) C4'-P energy: -11.000
bonds (distance) P-C4' energy: -8.668
flat angles C4'-P-C4' energy: -8.737
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -0.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -73.629177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.629177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.629177 (E_RNA)
where:
Base-Base interactions energy: -32.893
where: short stacking energy: -20.768
Base-Backbone interact. energy: -0.206
local terms energy: -40.530537
where:
bonds (distance) C4'-P energy: -10.015
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -9.012
flat angles P-C4'-P energy: -4.162
tors. eta vs tors. theta energy: -4.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -100.976068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.976068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.976068 (E_RNA)
where:
Base-Base interactions energy: -52.726
where: short stacking energy: -26.386
Base-Backbone interact. energy: 1.083
local terms energy: -49.332371
where:
bonds (distance) C4'-P energy: -11.568
bonds (distance) P-C4' energy: -10.853
flat angles C4'-P-C4' energy: -12.421
flat angles P-C4'-P energy: -5.993
tors. eta vs tors. theta energy: -8.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -64.019801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.019801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.019801 (E_RNA)
where:
Base-Base interactions energy: -33.364
where: short stacking energy: -21.373
Base-Backbone interact. energy: -0.119
local terms energy: -30.537297
where:
bonds (distance) C4'-P energy: -10.226
bonds (distance) P-C4' energy: -9.817
flat angles C4'-P-C4' energy: -7.178
flat angles P-C4'-P energy: -4.713
tors. eta vs tors. theta energy: 1.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -59.477584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.477584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.477584 (E_RNA)
where:
Base-Base interactions energy: -21.429
where: short stacking energy: -17.738
Base-Backbone interact. energy: -0.138
local terms energy: -37.909989
where:
bonds (distance) C4'-P energy: -8.619
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -7.079
flat angles P-C4'-P energy: -7.879
tors. eta vs tors. theta energy: -0.899
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: 1, replica: 3
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -149.026440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.026440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.026440 (E_RNA)
where:
Base-Base interactions energy: -92.050
where: short stacking energy: -46.193
Base-Backbone interact. energy: -0.488
local terms energy: -56.488725
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -10.440
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -6.048
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: 2, replica: 5
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -107.342343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.342343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.342343 (E_RNA)
where:
Base-Base interactions energy: -59.832
where: short stacking energy: -25.794
Base-Backbone interact. energy: -0.030
local terms energy: -47.480398
where:
bonds (distance) C4'-P energy: -8.242
bonds (distance) P-C4' energy: -10.969
flat angles C4'-P-C4' energy: -10.230
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -7.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -149.929809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.929809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.929809 (E_RNA)
where:
Base-Base interactions energy: -89.171
where: short stacking energy: -42.219
Base-Backbone interact. energy: -0.252
local terms energy: -60.507122
where:
bonds (distance) C4'-P energy: -11.273
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -10.040
flat angles P-C4'-P energy: -11.267
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: 4, replica: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -97.162735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.162735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.162735 (E_RNA)
where:
Base-Base interactions energy: -48.611
where: short stacking energy: -28.068
Base-Backbone interact. energy: -0.741
local terms energy: -47.811248
where:
bonds (distance) C4'-P energy: -8.848
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -10.857
flat angles P-C4'-P energy: -6.390
tors. eta vs tors. theta energy: -8.881
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: 2
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -75.226065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.226065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.226065 (E_RNA)
where:
Base-Base interactions energy: -31.216
where: short stacking energy: -18.486
Base-Backbone interact. energy: -0.990
local terms energy: -43.019984
where:
bonds (distance) C4'-P energy: -9.076
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -11.971
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: -0.723
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: 4
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -90.376484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.376484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.376484 (E_RNA)
where:
Base-Base interactions energy: -45.853
where: short stacking energy: -9.077
Base-Backbone interact. energy: -0.264
local terms energy: -44.259813
where:
bonds (distance) C4'-P energy: -8.612
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -8.894
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -5.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -75.937883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.937883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.937883 (E_RNA)
where:
Base-Base interactions energy: -44.279
where: short stacking energy: -11.980
Base-Backbone interact. energy: -0.273
local terms energy: -31.386300
where:
bonds (distance) C4'-P energy: -9.869
bonds (distance) P-C4' energy: -9.599
flat angles C4'-P-C4' energy: -11.193
flat angles P-C4'-P energy: -2.311
tors. eta vs tors. theta energy: 1.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -89.001616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.001616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.001616 (E_RNA)
where:
Base-Base interactions energy: -47.373
where: short stacking energy: -27.278
Base-Backbone interact. energy: 1.190
local terms energy: -42.819215
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -8.944
flat angles P-C4'-P energy: -5.050
tors. eta vs tors. theta energy: -4.721
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: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -62.751238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.751238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.751238 (E_RNA)
where:
Base-Base interactions energy: -25.858
where: short stacking energy: -20.542
Base-Backbone interact. energy: -0.109
local terms energy: -36.783752
where:
bonds (distance) C4'-P energy: -3.726
bonds (distance) P-C4' energy: -9.854
flat angles C4'-P-C4' energy: -11.973
flat angles P-C4'-P energy: -3.841
tors. eta vs tors. theta energy: -7.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -51.032659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.032659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.032659 (E_RNA)
where:
Base-Base interactions energy: -5.940
where: short stacking energy: -5.857
Base-Backbone interact. energy: -0.038
local terms energy: -45.055354
where:
bonds (distance) C4'-P energy: -10.215
bonds (distance) P-C4' energy: -10.357
flat angles C4'-P-C4' energy: -12.556
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -2.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -138.549002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.549002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.549002 (E_RNA)
where:
Base-Base interactions energy: -81.320
where: short stacking energy: -43.602
Base-Backbone interact. energy: -0.015
local terms energy: -57.214399
where:
bonds (distance) C4'-P energy: -11.513
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -11.403
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -13.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -154.388400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.388400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.388400 (E_RNA)
where:
Base-Base interactions energy: -96.873
where: short stacking energy: -42.633
Base-Backbone interact. energy: -0.037
local terms energy: -57.478574
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -10.782
flat angles C4'-P-C4' energy: -10.672
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -12.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -125.585301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.585301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.585301 (E_RNA)
where:
Base-Base interactions energy: -83.769
where: short stacking energy: -31.449
Base-Backbone interact. energy: -0.015
local terms energy: -41.801409
where:
bonds (distance) C4'-P energy: -9.063
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -8.274
flat angles P-C4'-P energy: -6.744
tors. eta vs tors. theta energy: -5.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -70.945295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.945295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.945295 (E_RNA)
where:
Base-Base interactions energy: -24.449
where: short stacking energy: -24.449
Base-Backbone interact. energy: -0.026
local terms energy: -46.469808
where:
bonds (distance) C4'-P energy: -11.091
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -9.669
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -4.275
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: 1
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -76.252441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.252441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.252441 (E_RNA)
where:
Base-Base interactions energy: -35.462
where: short stacking energy: -26.443
Base-Backbone interact. energy: -0.038
local terms energy: -40.752496
where:
bonds (distance) C4'-P energy: -8.138
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -10.247
flat angles P-C4'-P energy: -4.036
tors. eta vs tors. theta energy: -6.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -84.152143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.152143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.152143 (E_RNA)
where:
Base-Base interactions energy: -40.869
where: short stacking energy: -18.598
Base-Backbone interact. energy: -0.347
local terms energy: -42.936094
where:
bonds (distance) C4'-P energy: -10.987
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -10.913
flat angles P-C4'-P energy: -7.876
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: 7, replica: 4
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -75.535094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.535094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.535094 (E_RNA)
where:
Base-Base interactions energy: -40.536
where: short stacking energy: -22.299
Base-Backbone interact. energy: -0.154
local terms energy: -34.844921
where:
bonds (distance) C4'-P energy: -10.126
bonds (distance) P-C4' energy: -10.110
flat angles C4'-P-C4' energy: -7.830
flat angles P-C4'-P energy: -5.510
tors. eta vs tors. theta energy: -1.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -77.479606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.479606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.479606 (E_RNA)
where:
Base-Base interactions energy: -40.698
where: short stacking energy: -26.194
Base-Backbone interact. energy: 3.352
local terms energy: -40.132829
where:
bonds (distance) C4'-P energy: -7.055
bonds (distance) P-C4' energy: -11.418
flat angles C4'-P-C4' energy: -7.654
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -5.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -63.924893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.924893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.924893 (E_RNA)
where:
Base-Base interactions energy: -25.815
where: short stacking energy: -25.815
Base-Backbone interact. energy: -0.079
local terms energy: -38.031140
where:
bonds (distance) C4'-P energy: -8.458
bonds (distance) P-C4' energy: -10.991
flat angles C4'-P-C4' energy: -11.200
flat angles P-C4'-P energy: -5.679
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: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -53.103790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.103790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.103790 (E_RNA)
where:
Base-Base interactions energy: -19.631
where: short stacking energy: -8.994
Base-Backbone interact. energy: 0.371
local terms energy: -33.844070
where:
bonds (distance) C4'-P energy: -5.771
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -9.754
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: 3.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -155.954588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.954588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.954588 (E_RNA)
where:
Base-Base interactions energy: -99.002
where: short stacking energy: -44.395
Base-Backbone interact. energy: -0.083
local terms energy: -56.869753
where:
bonds (distance) C4'-P energy: -11.964
bonds (distance) P-C4' energy: -11.442
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -6.844
tors. eta vs tors. theta energy: -13.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -127.631911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.631911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.631911 (E_RNA)
where:
Base-Base interactions energy: -75.592
where: short stacking energy: -31.069
Base-Backbone interact. energy: -0.973
local terms energy: -51.067570
where:
bonds (distance) C4'-P energy: -9.970
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -6.446
tors. eta vs tors. theta energy: -9.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -78.530262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.530262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.530262 (E_RNA)
where:
Base-Base interactions energy: -33.488
where: short stacking energy: -27.209
Base-Backbone interact. energy: -0.124
local terms energy: -44.918143
where:
bonds (distance) C4'-P energy: -12.064
bonds (distance) P-C4' energy: -11.958
flat angles C4'-P-C4' energy: -10.742
flat angles P-C4'-P energy: -3.968
tors. eta vs tors. theta energy: -6.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -119.022075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.022075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.022075 (E_RNA)
where:
Base-Base interactions energy: -79.153
where: short stacking energy: -20.260
Base-Backbone interact. energy: -0.227
local terms energy: -39.642153
where:
bonds (distance) C4'-P energy: -10.102
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -11.746
flat angles P-C4'-P energy: -1.129
tors. eta vs tors. theta energy: -4.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -86.813640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.813640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.813640 (E_RNA)
where:
Base-Base interactions energy: -41.569
where: short stacking energy: -19.145
Base-Backbone interact. energy: -0.111
local terms energy: -45.133918
where:
bonds (distance) C4'-P energy: -8.251
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -10.426
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -5.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -88.691120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.691120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.691120 (E_RNA)
where:
Base-Base interactions energy: -46.080
where: short stacking energy: -20.873
Base-Backbone interact. energy: -0.193
local terms energy: -42.417873
where:
bonds (distance) C4'-P energy: -10.831
bonds (distance) P-C4' energy: -9.401
flat angles C4'-P-C4' energy: -9.003
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: -5.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -64.276347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.276347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.276347 (E_RNA)
where:
Base-Base interactions energy: -25.630
where: short stacking energy: -21.250
Base-Backbone interact. energy: -0.057
local terms energy: -38.589560
where:
bonds (distance) C4'-P energy: -11.609
bonds (distance) P-C4' energy: -8.340
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -5.515
tors. eta vs tors. theta energy: 0.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -67.440556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.440556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.440556 (E_RNA)
where:
Base-Base interactions energy: -29.650
where: short stacking energy: -14.570
Base-Backbone interact. energy: -0.120
local terms energy: -37.669947
where:
bonds (distance) C4'-P energy: -10.119
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -6.316
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: 1.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -56.754254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.754254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.754254 (E_RNA)
where:
Base-Base interactions energy: -17.722
where: short stacking energy: -9.544
Base-Backbone interact. energy: -0.027
local terms energy: -39.005356
where:
bonds (distance) C4'-P energy: -11.335
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -11.650
flat angles P-C4'-P energy: -4.833
tors. eta vs tors. theta energy: 1.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -55.169445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.169445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.169445 (E_RNA)
where:
Base-Base interactions energy: -22.025
where: short stacking energy: -16.855
Base-Backbone interact. energy: -0.135
local terms energy: -33.010203
where:
bonds (distance) C4'-P energy: -5.570
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -4.088
flat angles P-C4'-P energy: -9.293
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: 7
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -143.478346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.478346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.478346 (E_RNA)
where:
Base-Base interactions energy: -86.088
where: short stacking energy: -41.557
Base-Backbone interact. energy: -0.014
local terms energy: -57.376286
where:
bonds (distance) C4'-P energy: -12.871
bonds (distance) P-C4' energy: -11.848
flat angles C4'-P-C4' energy: -10.420
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -12.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -124.878548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.878548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.878548 (E_RNA)
where:
Base-Base interactions energy: -75.532
where: short stacking energy: -37.103
Base-Backbone interact. energy: -0.218
local terms energy: -49.128248
where:
bonds (distance) C4'-P energy: -8.884
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -7.631
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -10.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -93.224018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.224018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.224018 (E_RNA)
where:
Base-Base interactions energy: -42.974
where: short stacking energy: -25.223
Base-Backbone interact. energy: -0.112
local terms energy: -50.138706
where:
bonds (distance) C4'-P energy: -11.389
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -11.292
flat angles P-C4'-P energy: -7.874
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: 4, replica: 5
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -121.030442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.030442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.030442 (E_RNA)
where:
Base-Base interactions energy: -72.855
where: short stacking energy: -30.048
Base-Backbone interact. energy: -0.290
local terms energy: -47.885499
where:
bonds (distance) C4'-P energy: -5.967
bonds (distance) P-C4' energy: -9.839
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -8.728
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: 9
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -86.596555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.596555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.596555 (E_RNA)
where:
Base-Base interactions energy: -35.983
where: short stacking energy: -17.280
Base-Backbone interact. energy: -0.109
local terms energy: -50.504760
where:
bonds (distance) C4'-P energy: -11.227
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -10.223
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -5.272
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: 8
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -68.399529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.399529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.399529 (E_RNA)
where:
Base-Base interactions energy: -27.374
where: short stacking energy: -18.967
Base-Backbone interact. energy: -0.162
local terms energy: -40.863857
where:
bonds (distance) C4'-P energy: -10.557
bonds (distance) P-C4' energy: -11.078
flat angles C4'-P-C4' energy: -9.147
flat angles P-C4'-P energy: -9.045
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: 7, replica: 1
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -96.621891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.621891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.621891 (E_RNA)
where:
Base-Base interactions energy: -57.150
where: short stacking energy: -28.079
Base-Backbone interact. energy: -1.031
local terms energy: -38.440811
where:
bonds (distance) C4'-P energy: -9.911
bonds (distance) P-C4' energy: -6.794
flat angles C4'-P-C4' energy: -9.757
flat angles P-C4'-P energy: -7.933
tors. eta vs tors. theta energy: -4.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -69.747774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.747774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.747774 (E_RNA)
where:
Base-Base interactions energy: -23.738
where: short stacking energy: -19.476
Base-Backbone interact. energy: -0.039
local terms energy: -45.970752
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -10.000
flat angles P-C4'-P energy: -6.477
tors. eta vs tors. theta energy: -4.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -60.223289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.223289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.223289 (E_RNA)
where:
Base-Base interactions energy: -20.020
where: short stacking energy: -17.646
Base-Backbone interact. energy: 0.685
local terms energy: -40.887805
where:
bonds (distance) C4'-P energy: -11.124
bonds (distance) P-C4' energy: -10.410
flat angles C4'-P-C4' energy: -10.118
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -0.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -52.811668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.811668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.811668 (E_RNA)
where:
Base-Base interactions energy: -15.680
where: short stacking energy: -12.643
Base-Backbone interact. energy: -0.644
local terms energy: -36.487263
where:
bonds (distance) C4'-P energy: -10.325
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -10.717
flat angles P-C4'-P energy: -4.338
tors. eta vs tors. theta energy: 0.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -142.753930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.753930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.753930 (E_RNA)
where:
Base-Base interactions energy: -81.141
where: short stacking energy: -38.520
Base-Backbone interact. energy: -0.104
local terms energy: -61.509847
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -10.863
flat angles P-C4'-P energy: -11.297
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: 2, replica: 7
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -140.645236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.645236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.645236 (E_RNA)
where:
Base-Base interactions energy: -87.423
where: short stacking energy: -40.010
Base-Backbone interact. energy: -0.001
local terms energy: -53.221299
where:
bonds (distance) C4'-P energy: -7.254
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -12.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -129.362751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.362751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.362751 (E_RNA)
where:
Base-Base interactions energy: -86.014
where: short stacking energy: -23.241
Base-Backbone interact. energy: -0.092
local terms energy: -43.256254
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -11.044
flat angles C4'-P-C4' energy: -9.012
flat angles P-C4'-P energy: -4.013
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: 4, replica: 2
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -102.835420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.835420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.835420 (E_RNA)
where:
Base-Base interactions energy: -54.653
where: short stacking energy: -28.001
Base-Backbone interact. energy: -0.871
local terms energy: -47.311490
where:
bonds (distance) C4'-P energy: -12.481
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -10.914
flat angles P-C4'-P energy: -4.421
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: 5, replica: 8
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -72.181228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.181228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.181228 (E_RNA)
where:
Base-Base interactions energy: -22.838
where: short stacking energy: -21.905
Base-Backbone interact. energy: -0.229
local terms energy: -49.114506
where:
bonds (distance) C4'-P energy: -10.838
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -11.977
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: -5.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -79.732618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.732618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.732618 (E_RNA)
where:
Base-Base interactions energy: -38.625
where: short stacking energy: -12.508
Base-Backbone interact. energy: -0.732
local terms energy: -40.374913
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -8.518
flat angles P-C4'-P energy: -6.045
tors. eta vs tors. theta energy: -0.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -76.827489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.827489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.827489 (E_RNA)
where:
Base-Base interactions energy: -37.684
where: short stacking energy: -17.719
Base-Backbone interact. energy: -0.386
local terms energy: -38.757343
where:
bonds (distance) C4'-P energy: -10.506
bonds (distance) P-C4' energy: -12.302
flat angles C4'-P-C4' energy: -8.921
flat angles P-C4'-P energy: -8.037
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: 8, replica: 1
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -71.885849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.885849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.885849 (E_RNA)
where:
Base-Base interactions energy: -29.302
where: short stacking energy: -17.399
Base-Backbone interact. energy: -0.103
local terms energy: -42.480432
where:
bonds (distance) C4'-P energy: -11.418
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -10.995
flat angles P-C4'-P energy: -4.483
tors. eta vs tors. theta energy: -3.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -54.904330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.904330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.904330 (E_RNA)
where:
Base-Base interactions energy: -27.691
where: short stacking energy: -10.788
Base-Backbone interact. energy: -0.715
local terms energy: -26.498456
where:
bonds (distance) C4'-P energy: -13.389
bonds (distance) P-C4' energy: -7.718
flat angles C4'-P-C4' energy: -6.114
flat angles P-C4'-P energy: -3.121
tors. eta vs tors. theta energy: 3.844
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: 10, replica: 4
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -51.151714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.151714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.151714 (E_RNA)
where:
Base-Base interactions energy: -15.436
where: short stacking energy: -15.310
Base-Backbone interact. energy: 0.235
local terms energy: -35.950458
where:
bonds (distance) C4'-P energy: -8.834
bonds (distance) P-C4' energy: -9.569
flat angles C4'-P-C4' energy: -11.137
flat angles P-C4'-P energy: -5.794
tors. eta vs tors. theta energy: -0.616
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: 11
Temperature: 0.900000
Total energy: -139.585120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.585120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.585120 (E_RNA)
where:
Base-Base interactions energy: -85.177
where: short stacking energy: -41.477
Base-Backbone interact. energy: -0.152
local terms energy: -54.256035
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -9.661
flat angles P-C4'-P energy: -6.442
tors. eta vs tors. theta energy: -12.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -152.233312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.233312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.233312 (E_RNA)
where:
Base-Base interactions energy: -98.707
where: short stacking energy: -35.652
Base-Backbone interact. energy: -0.240
local terms energy: -53.285559
where:
bonds (distance) C4'-P energy: -11.787
bonds (distance) P-C4' energy: -12.193
flat angles C4'-P-C4' energy: -12.015
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: -9.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -124.775354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.775354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.775354 (E_RNA)
where:
Base-Base interactions energy: -75.518
where: short stacking energy: -31.724
Base-Backbone interact. energy: -0.477
local terms energy: -48.780604
where:
bonds (distance) C4'-P energy: -7.800
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -4.953
tors. eta vs tors. theta energy: -10.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -85.073213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.073213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.073213 (E_RNA)
where:
Base-Base interactions energy: -41.151
where: short stacking energy: -25.133
Base-Backbone interact. energy: -0.008
local terms energy: -43.914752
where:
bonds (distance) C4'-P energy: -8.743
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -7.921
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -6.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -86.319498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.319498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.319498 (E_RNA)
where:
Base-Base interactions energy: -45.216
where: short stacking energy: -17.236
Base-Backbone interact. energy: -0.133
local terms energy: -40.969901
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -9.396
flat angles C4'-P-C4' energy: -9.332
flat angles P-C4'-P energy: -5.058
tors. eta vs tors. theta energy: -4.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -72.987478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.987478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.987478 (E_RNA)
where:
Base-Base interactions energy: -22.905
where: short stacking energy: -16.959
Base-Backbone interact. energy: -0.435
local terms energy: -49.646857
where:
bonds (distance) C4'-P energy: -10.987
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -11.107
flat angles P-C4'-P energy: -7.446
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: 7, replica: 9
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -76.202555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.202555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.202555 (E_RNA)
where:
Base-Base interactions energy: -39.708
where: short stacking energy: -22.895
Base-Backbone interact. energy: -0.103
local terms energy: -36.392352
where:
bonds (distance) C4'-P energy: -8.171
bonds (distance) P-C4' energy: -8.286
flat angles C4'-P-C4' energy: -11.946
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -0.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -64.470998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.470998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.470998 (E_RNA)
where:
Base-Base interactions energy: -36.965
where: short stacking energy: -16.513
Base-Backbone interact. energy: -0.391
local terms energy: -27.115239
where:
bonds (distance) C4'-P energy: -9.584
bonds (distance) P-C4' energy: -11.312
flat angles C4'-P-C4' energy: -8.040
flat angles P-C4'-P energy: -2.620
tors. eta vs tors. theta energy: 4.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -55.319627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.319627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.319627 (E_RNA)
where:
Base-Base interactions energy: -17.622
where: short stacking energy: -17.455
Base-Backbone interact. energy: -0.159
local terms energy: -37.538430
where:
bonds (distance) C4'-P energy: -10.209
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -6.479
flat angles P-C4'-P energy: -7.196
tors. eta vs tors. theta energy: 0.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -54.904010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.904010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.904010 (E_RNA)
where:
Base-Base interactions energy: -19.406
where: short stacking energy: -12.847
Base-Backbone interact. energy: -0.306
local terms energy: -35.192423
where:
bonds (distance) C4'-P energy: -10.660
bonds (distance) P-C4' energy: -11.174
flat angles C4'-P-C4' energy: -8.737
flat angles P-C4'-P energy: -2.930
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: 7
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -142.980551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.980551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.980551 (E_RNA)
where:
Base-Base interactions energy: -90.747
where: short stacking energy: -28.459
Base-Backbone interact. energy: -0.118
local terms energy: -52.116107
where:
bonds (distance) C4'-P energy: -12.126
bonds (distance) P-C4' energy: -10.264
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -6.109
tors. eta vs tors. theta energy: -11.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -133.744076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.744076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.744076 (E_RNA)
where:
Base-Base interactions energy: -78.063
where: short stacking energy: -40.618
Base-Backbone interact. energy: -0.040
local terms energy: -55.641105
where:
bonds (distance) C4'-P energy: -11.089
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -10.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -138.030205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.030205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.030205 (E_RNA)
where:
Base-Base interactions energy: -84.110
where: short stacking energy: -34.764
Base-Backbone interact. energy: -0.125
local terms energy: -53.795861
where:
bonds (distance) C4'-P energy: -11.381
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -11.285
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -9.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -71.765760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.765760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.765760 (E_RNA)
where:
Base-Base interactions energy: -26.039
where: short stacking energy: -20.379
Base-Backbone interact. energy: -0.077
local terms energy: -45.649379
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -8.973
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -7.749
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: 5, replica: 8
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -104.499869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.499869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.499869 (E_RNA)
where:
Base-Base interactions energy: -57.197
where: short stacking energy: -35.890
Base-Backbone interact. energy: 0.876
local terms energy: -48.179273
where:
bonds (distance) C4'-P energy: -6.897
bonds (distance) P-C4' energy: -12.743
flat angles C4'-P-C4' energy: -9.809
flat angles P-C4'-P energy: -6.339
tors. eta vs tors. theta energy: -12.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -79.026812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.026812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.026812 (E_RNA)
where:
Base-Base interactions energy: -40.175
where: short stacking energy: -24.644
Base-Backbone interact. energy: 1.745
local terms energy: -40.596730
where:
bonds (distance) C4'-P energy: -7.638
bonds (distance) P-C4' energy: -12.172
flat angles C4'-P-C4' energy: -10.474
flat angles P-C4'-P energy: -8.090
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: 7, replica: 10
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -62.331455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.331455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.331455 (E_RNA)
where:
Base-Base interactions energy: -22.421
where: short stacking energy: -19.882
Base-Backbone interact. energy: -0.263
local terms energy: -39.647268
where:
bonds (distance) C4'-P energy: -10.537
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -9.094
flat angles P-C4'-P energy: -6.919
tors. eta vs tors. theta energy: -0.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -68.621275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.621275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.621275 (E_RNA)
where:
Base-Base interactions energy: -29.087
where: short stacking energy: -14.265
Base-Backbone interact. energy: -0.414
local terms energy: -39.119826
where:
bonds (distance) C4'-P energy: -6.239
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -5.000
tors. eta vs tors. theta energy: -2.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -62.023059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.023059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.023059 (E_RNA)
where:
Base-Base interactions energy: -19.187
where: short stacking energy: -14.202
Base-Backbone interact. energy: -0.012
local terms energy: -42.823270
where:
bonds (distance) C4'-P energy: -9.021
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -11.333
flat angles P-C4'-P energy: -7.587
tors. eta vs tors. theta energy: -1.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -58.868106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.868106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.868106 (E_RNA)
where:
Base-Base interactions energy: -17.498
where: short stacking energy: -11.415
Base-Backbone interact. energy: -0.028
local terms energy: -41.341215
where:
bonds (distance) C4'-P energy: -12.383
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -3.215
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -3.687
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: 1, replica: 7
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -151.719551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.719551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.719551 (E_RNA)
where:
Base-Base interactions energy: -92.000
where: short stacking energy: -45.244
Base-Backbone interact. energy: -0.100
local terms energy: -59.619855
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -11.020
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -8.855
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: 2, replica: 5
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -130.752687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.752687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.752687 (E_RNA)
where:
Base-Base interactions energy: -82.182
where: short stacking energy: -29.849
Base-Backbone interact. energy: -0.022
local terms energy: -48.549312
where:
bonds (distance) C4'-P energy: -9.985
bonds (distance) P-C4' energy: -11.074
flat angles C4'-P-C4' energy: -11.435
flat angles P-C4'-P energy: -9.402
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: 3, replica: 3
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -119.512627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.512627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.512627 (E_RNA)
where:
Base-Base interactions energy: -67.523
where: short stacking energy: -27.638
Base-Backbone interact. energy: -0.038
local terms energy: -51.950968
where:
bonds (distance) C4'-P energy: -11.538
bonds (distance) P-C4' energy: -10.361
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: -8.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -132.871928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.871928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.871928 (E_RNA)
where:
Base-Base interactions energy: -81.111
where: short stacking energy: -34.578
Base-Backbone interact. energy: -1.101
local terms energy: -50.659843
where:
bonds (distance) C4'-P energy: -9.655
bonds (distance) P-C4' energy: -10.110
flat angles C4'-P-C4' energy: -11.413
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -9.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -90.695136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.695136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.695136 (E_RNA)
where:
Base-Base interactions energy: -52.872
where: short stacking energy: -21.619
Base-Backbone interact. energy: -0.194
local terms energy: -37.629111
where:
bonds (distance) C4'-P energy: -7.950
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -10.544
flat angles P-C4'-P energy: -5.490
tors. eta vs tors. theta energy: -0.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -81.699845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.699845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.699845 (E_RNA)
where:
Base-Base interactions energy: -36.452
where: short stacking energy: -26.520
Base-Backbone interact. energy: -0.016
local terms energy: -45.231053
where:
bonds (distance) C4'-P energy: -10.578
bonds (distance) P-C4' energy: -10.813
flat angles C4'-P-C4' energy: -9.527
flat angles P-C4'-P energy: -8.550
tors. eta vs tors. theta energy: -5.763
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: 10
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -69.850091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.850091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.850091 (E_RNA)
where:
Base-Base interactions energy: -36.159
where: short stacking energy: -14.582
Base-Backbone interact. energy: -0.048
local terms energy: -33.642891
where:
bonds (distance) C4'-P energy: -8.516
bonds (distance) P-C4' energy: -10.790
flat angles C4'-P-C4' energy: -10.106
flat angles P-C4'-P energy: -4.534
tors. eta vs tors. theta energy: 0.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -58.664714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.664714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.664714 (E_RNA)
where:
Base-Base interactions energy: -20.192
where: short stacking energy: -11.791
Base-Backbone interact. energy: -0.174
local terms energy: -38.298242
where:
bonds (distance) C4'-P energy: -9.995
bonds (distance) P-C4' energy: -9.313
flat angles C4'-P-C4' energy: -10.538
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: 0.594
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: 9
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -63.599292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.599292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.599292 (E_RNA)
where:
Base-Base interactions energy: -34.323
where: short stacking energy: -10.461
Base-Backbone interact. energy: -0.035
local terms energy: -29.241780
where:
bonds (distance) C4'-P energy: -9.054
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -9.691
flat angles P-C4'-P energy: 0.260
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: 4
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -66.795304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.795304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.795304 (E_RNA)
where:
Base-Base interactions energy: -27.676
where: short stacking energy: -12.960
Base-Backbone interact. energy: -0.056
local terms energy: -39.062864
where:
bonds (distance) C4'-P energy: -8.593
bonds (distance) P-C4' energy: -6.683
flat angles C4'-P-C4' energy: -11.211
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -1.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -132.174823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.174823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.174823 (E_RNA)
where:
Base-Base interactions energy: -82.581
where: short stacking energy: -34.959
Base-Backbone interact. energy: -0.047
local terms energy: -49.546381
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -9.026
flat angles C4'-P-C4' energy: -8.393
flat angles P-C4'-P energy: -10.352
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: 2, replica: 7
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -147.919229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.919229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.919229 (E_RNA)
where:
Base-Base interactions energy: -93.866
where: short stacking energy: -42.480
Base-Backbone interact. energy: -0.012
local terms energy: -54.041622
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -9.544
flat angles P-C4'-P energy: -5.661
tors. eta vs tors. theta energy: -15.161
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: 3, replica: 8
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -144.775128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.775128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.775128 (E_RNA)
where:
Base-Base interactions energy: -94.451
where: short stacking energy: -32.915
Base-Backbone interact. energy: -0.199
local terms energy: -50.124899
where:
bonds (distance) C4'-P energy: -12.002
bonds (distance) P-C4' energy: -8.633
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -5.772
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: 4, replica: 3
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -113.262020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.262020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.262020 (E_RNA)
where:
Base-Base interactions energy: -61.604
where: short stacking energy: -30.384
Base-Backbone interact. energy: -0.022
local terms energy: -51.635707
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -11.222
flat angles P-C4'-P energy: -3.425
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: 5, replica: 6
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -74.450375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.450375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.450375 (E_RNA)
where:
Base-Base interactions energy: -27.329
where: short stacking energy: -25.930
Base-Backbone interact. energy: -0.791
local terms energy: -46.330460
where:
bonds (distance) C4'-P energy: -10.371
bonds (distance) P-C4' energy: -10.042
flat angles C4'-P-C4' energy: -10.905
flat angles P-C4'-P energy: -5.482
tors. eta vs tors. theta energy: -9.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -108.473266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.473266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.473266 (E_RNA)
where:
Base-Base interactions energy: -67.728
where: short stacking energy: -22.417
Base-Backbone interact. energy: -0.356
local terms energy: -40.389021
where:
bonds (distance) C4'-P energy: -8.094
bonds (distance) P-C4' energy: -10.094
flat angles C4'-P-C4' energy: -10.943
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -3.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -68.632067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.632067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.632067 (E_RNA)
where:
Base-Base interactions energy: -23.560
where: short stacking energy: -17.617
Base-Backbone interact. energy: 0.439
local terms energy: -45.510280
where:
bonds (distance) C4'-P energy: -8.500
bonds (distance) P-C4' energy: -12.099
flat angles C4'-P-C4' energy: -9.989
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -4.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -60.368719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.368719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.368719 (E_RNA)
where:
Base-Base interactions energy: -29.408
where: short stacking energy: -22.527
Base-Backbone interact. energy: 0.780
local terms energy: -31.741019
where:
bonds (distance) C4'-P energy: -13.450
bonds (distance) P-C4' energy: -9.045
flat angles C4'-P-C4' energy: -6.702
flat angles P-C4'-P energy: -4.549
tors. eta vs tors. theta energy: 2.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -60.467229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.467229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.467229 (E_RNA)
where:
Base-Base interactions energy: -22.948
where: short stacking energy: -22.948
Base-Backbone interact. energy: -0.096
local terms energy: -37.422964
where:
bonds (distance) C4'-P energy: -9.550
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -12.141
flat angles P-C4'-P energy: -3.150
tors. eta vs tors. theta energy: -0.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -54.904925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.904925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.904925 (E_RNA)
where:
Base-Base interactions energy: -20.482
where: short stacking energy: -15.553
Base-Backbone interact. energy: -0.190
local terms energy: -34.233702
where:
bonds (distance) C4'-P energy: -6.495
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -9.307
flat angles P-C4'-P energy: -4.327
tors. eta vs tors. theta energy: -0.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -144.659506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.659506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.659506 (E_RNA)
where:
Base-Base interactions energy: -94.080
where: short stacking energy: -24.572
Base-Backbone interact. energy: -0.094
local terms energy: -50.485409
where:
bonds (distance) C4'-P energy: -10.164
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -11.832
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: -7.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -152.341278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.341278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.341278 (E_RNA)
where:
Base-Base interactions energy: -95.456
where: short stacking energy: -30.501
Base-Backbone interact. energy: -0.093
local terms energy: -56.791952
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -11.112
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -12.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -145.086320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.086320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.086320 (E_RNA)
where:
Base-Base interactions energy: -91.657
where: short stacking energy: -38.465
Base-Backbone interact. energy: -0.986
local terms energy: -52.442665
where:
bonds (distance) C4'-P energy: -10.821
bonds (distance) P-C4' energy: -9.982
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -6.674
tors. eta vs tors. theta energy: -11.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -80.882055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.882055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.882055 (E_RNA)
where:
Base-Base interactions energy: -34.621
where: short stacking energy: -19.747
Base-Backbone interact. energy: -0.964
local terms energy: -45.296888
where:
bonds (distance) C4'-P energy: -6.628
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -8.712
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -8.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -71.377894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.377894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.377894 (E_RNA)
where:
Base-Base interactions energy: -30.739
where: short stacking energy: -21.582
Base-Backbone interact. energy: 0.014
local terms energy: -40.653643
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -10.795
flat angles C4'-P-C4' energy: -12.070
flat angles P-C4'-P energy: -2.854
tors. eta vs tors. theta energy: -2.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -101.445203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.445203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.445203 (E_RNA)
where:
Base-Base interactions energy: -57.074
where: short stacking energy: -18.667
Base-Backbone interact. energy: -0.127
local terms energy: -44.243857
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -12.427
flat angles C4'-P-C4' energy: -8.916
flat angles P-C4'-P energy: -5.290
tors. eta vs tors. theta energy: -5.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -74.207475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.207475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.207475 (E_RNA)
where:
Base-Base interactions energy: -34.714
where: short stacking energy: -23.168
Base-Backbone interact. energy: -0.410
local terms energy: -39.083547
where:
bonds (distance) C4'-P energy: -8.619
bonds (distance) P-C4' energy: -10.468
flat angles C4'-P-C4' energy: -8.237
flat angles P-C4'-P energy: -7.832
tors. eta vs tors. theta energy: -3.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -66.385451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.385451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.385451 (E_RNA)
where:
Base-Base interactions energy: -28.059
where: short stacking energy: -16.478
Base-Backbone interact. energy: -0.173
local terms energy: -38.153492
where:
bonds (distance) C4'-P energy: -8.346
bonds (distance) P-C4' energy: -9.470
flat angles C4'-P-C4' energy: -11.253
flat angles P-C4'-P energy: -5.722
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: 9, replica: 1
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -61.250431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.250431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.250431 (E_RNA)
where:
Base-Base interactions energy: -27.479
where: short stacking energy: -12.470
Base-Backbone interact. energy: -0.110
local terms energy: -33.661633
where:
bonds (distance) C4'-P energy: -11.165
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -8.382
flat angles P-C4'-P energy: -1.831
tors. eta vs tors. theta energy: -0.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -68.930596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.930596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.930596 (E_RNA)
where:
Base-Base interactions energy: -31.210
where: short stacking energy: -20.258
Base-Backbone interact. energy: -0.055
local terms energy: -37.665437
where:
bonds (distance) C4'-P energy: -10.946
bonds (distance) P-C4' energy: -10.075
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -5.445
tors. eta vs tors. theta energy: 0.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -150.425042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.425042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.425042 (E_RNA)
where:
Base-Base interactions energy: -98.169
where: short stacking energy: -32.914
Base-Backbone interact. energy: -0.094
local terms energy: -52.162015
where:
bonds (distance) C4'-P energy: -9.916
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -12.631
flat angles P-C4'-P energy: -7.318
tors. eta vs tors. theta energy: -10.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -142.816132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.816132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.816132 (E_RNA)
where:
Base-Base interactions energy: -91.393
where: short stacking energy: -42.939
Base-Backbone interact. energy: 0.141
local terms energy: -51.564044
where:
bonds (distance) C4'-P energy: -9.757
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -8.570
flat angles P-C4'-P energy: -5.762
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: 3, replica: 7
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -146.450919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.450919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.450919 (E_RNA)
where:
Base-Base interactions energy: -98.773
where: short stacking energy: -37.813
Base-Backbone interact. energy: -0.002
local terms energy: -47.676206
where:
bonds (distance) C4'-P energy: -11.078
bonds (distance) P-C4' energy: -11.120
flat angles C4'-P-C4' energy: -9.910
flat angles P-C4'-P energy: -6.255
tors. eta vs tors. theta energy: -9.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -79.475533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.475533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.475533 (E_RNA)
where:
Base-Base interactions energy: -32.766
where: short stacking energy: -23.102
Base-Backbone interact. energy: -0.507
local terms energy: -46.202186
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -9.596
flat angles P-C4'-P energy: -5.040
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: 5, replica: 2
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -96.663678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.663678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.663678 (E_RNA)
where:
Base-Base interactions energy: -47.079
where: short stacking energy: -27.203
Base-Backbone interact. energy: -1.191
local terms energy: -48.394240
where:
bonds (distance) C4'-P energy: -12.134
bonds (distance) P-C4' energy: -8.327
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: -7.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -68.802676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.802676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.802676 (E_RNA)
where:
Base-Base interactions energy: -27.493
where: short stacking energy: -17.700
Base-Backbone interact. energy: -0.562
local terms energy: -40.748203
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -8.319
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -0.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -81.677508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.677508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.677508 (E_RNA)
where:
Base-Base interactions energy: -48.346
where: short stacking energy: -15.596
Base-Backbone interact. energy: -0.024
local terms energy: -33.308282
where:
bonds (distance) C4'-P energy: -7.319
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -7.777
flat angles P-C4'-P energy: -5.033
tors. eta vs tors. theta energy: -0.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -69.111425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.111425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.111425 (E_RNA)
where:
Base-Base interactions energy: -35.625
where: short stacking energy: -17.658
Base-Backbone interact. energy: -0.087
local terms energy: -33.399794
where:
bonds (distance) C4'-P energy: -10.040
bonds (distance) P-C4' energy: -10.423
flat angles C4'-P-C4' energy: -7.861
flat angles P-C4'-P energy: -5.335
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: 9, replica: 9
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -54.627883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.627883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.627883 (E_RNA)
where:
Base-Base interactions energy: -16.118
where: short stacking energy: -15.322
Base-Backbone interact. energy: -0.196
local terms energy: -38.314389
where:
bonds (distance) C4'-P energy: -9.543
bonds (distance) P-C4' energy: -11.442
flat angles C4'-P-C4' energy: -10.453
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: 0.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -66.582142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.582142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.582142 (E_RNA)
where:
Base-Base interactions energy: -38.666
where: short stacking energy: -18.669
Base-Backbone interact. energy: -0.598
local terms energy: -27.318417
where:
bonds (distance) C4'-P energy: -10.299
bonds (distance) P-C4' energy: -8.525
flat angles C4'-P-C4' energy: -5.521
flat angles P-C4'-P energy: -1.901
tors. eta vs tors. theta energy: -1.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -146.350799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.350799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.350799 (E_RNA)
where:
Base-Base interactions energy: -92.378
where: short stacking energy: -30.715
Base-Backbone interact. energy: -0.157
local terms energy: -53.816368
where:
bonds (distance) C4'-P energy: -11.981
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -7.228
tors. eta vs tors. theta energy: -8.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -155.187626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.187626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.187626 (E_RNA)
where:
Base-Base interactions energy: -102.412
where: short stacking energy: -41.274
Base-Backbone interact. energy: -0.021
local terms energy: -52.754580
where:
bonds (distance) C4'-P energy: -11.835
bonds (distance) P-C4' energy: -10.788
flat angles C4'-P-C4' energy: -12.964
flat angles P-C4'-P energy: -5.744
tors. eta vs tors. theta energy: -11.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -133.317962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.317962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.317962 (E_RNA)
where:
Base-Base interactions energy: -87.397
where: short stacking energy: -29.523
Base-Backbone interact. energy: -0.270
local terms energy: -45.651117
where:
bonds (distance) C4'-P energy: -9.293
bonds (distance) P-C4' energy: -12.154
flat angles C4'-P-C4' energy: -11.781
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: -4.149
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: 2
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -87.050580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.050580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.050580 (E_RNA)
where:
Base-Base interactions energy: -48.069
where: short stacking energy: -18.970
Base-Backbone interact. energy: -0.190
local terms energy: -38.791505
where:
bonds (distance) C4'-P energy: -10.342
bonds (distance) P-C4' energy: -9.286
flat angles C4'-P-C4' energy: -8.182
flat angles P-C4'-P energy: -9.125
tors. eta vs tors. theta energy: -1.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -74.800482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.800482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.800482 (E_RNA)
where:
Base-Base interactions energy: -32.641
where: short stacking energy: -21.653
Base-Backbone interact. energy: -0.053
local terms energy: -42.106940
where:
bonds (distance) C4'-P energy: -9.497
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -5.840
flat angles P-C4'-P energy: -6.241
tors. eta vs tors. theta energy: -7.289
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: 4
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -77.318249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.318249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.318249 (E_RNA)
where:
Base-Base interactions energy: -31.660
where: short stacking energy: -9.664
Base-Backbone interact. energy: -0.346
local terms energy: -45.312407
where:
bonds (distance) C4'-P energy: -8.581
bonds (distance) P-C4' energy: -10.569
flat angles C4'-P-C4' energy: -10.974
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -7.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -75.050274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.050274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.050274 (E_RNA)
where:
Base-Base interactions energy: -30.890
where: short stacking energy: -19.303
Base-Backbone interact. energy: -0.100
local terms energy: -44.060820
where:
bonds (distance) C4'-P energy: -9.142
bonds (distance) P-C4' energy: -11.450
flat angles C4'-P-C4' energy: -9.190
flat angles P-C4'-P energy: -6.427
tors. eta vs tors. theta energy: -7.851
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: 8, replica: 9
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -62.721306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.721306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.721306 (E_RNA)
where:
Base-Base interactions energy: -23.503
where: short stacking energy: -18.745
Base-Backbone interact. energy: -0.143
local terms energy: -39.075365
where:
bonds (distance) C4'-P energy: -10.697
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -7.665
flat angles P-C4'-P energy: -5.926
tors. eta vs tors. theta energy: -2.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -64.566653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.566653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.566653 (E_RNA)
where:
Base-Base interactions energy: -23.167
where: short stacking energy: -22.325
Base-Backbone interact. energy: -0.046
local terms energy: -41.353868
where:
bonds (distance) C4'-P energy: -6.977
bonds (distance) P-C4' energy: -11.458
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -5.786
tors. eta vs tors. theta energy: -3.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -53.213482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.213482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.213482 (E_RNA)
where:
Base-Base interactions energy: -13.784
where: short stacking energy: -12.084
Base-Backbone interact. energy: -0.072
local terms energy: -39.357101
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -11.025
flat angles C4'-P-C4' energy: -9.226
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: 1.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -144.257645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.257645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.257645 (E_RNA)
where:
Base-Base interactions energy: -96.370
where: short stacking energy: -28.620
Base-Backbone interact. energy: 5.972
local terms energy: -53.860241
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -10.347
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -8.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -130.771162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.771162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.771162 (E_RNA)
where:
Base-Base interactions energy: -87.334
where: short stacking energy: -32.508
Base-Backbone interact. energy: -0.179
local terms energy: -43.258382
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -7.899
flat angles C4'-P-C4' energy: -9.186
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -7.066
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: 2
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -120.299667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.299667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.299667 (E_RNA)
where:
Base-Base interactions energy: -75.820
where: short stacking energy: -22.861
Base-Backbone interact. energy: -0.085
local terms energy: -44.394220
where:
bonds (distance) C4'-P energy: -9.799
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -12.454
flat angles P-C4'-P energy: -6.999
tors. eta vs tors. theta energy: -2.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -129.823849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.823849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.823849 (E_RNA)
where:
Base-Base interactions energy: -80.580
where: short stacking energy: -28.640
Base-Backbone interact. energy: 0.117
local terms energy: -49.360013
where:
bonds (distance) C4'-P energy: -8.840
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -12.052
flat angles P-C4'-P energy: -8.637
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: 5, replica: 4
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -75.734949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.734949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.734949 (E_RNA)
where:
Base-Base interactions energy: -29.069
where: short stacking energy: -28.234
Base-Backbone interact. energy: 0.567
local terms energy: -47.233121
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -10.620
flat angles C4'-P-C4' energy: -11.855
flat angles P-C4'-P energy: -5.733
tors. eta vs tors. theta energy: -5.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -74.253211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.253211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.253211 (E_RNA)
where:
Base-Base interactions energy: -26.335
where: short stacking energy: -25.403
Base-Backbone interact. energy: -0.034
local terms energy: -47.884683
where:
bonds (distance) C4'-P energy: -9.527
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -10.936
flat angles P-C4'-P energy: -6.429
tors. eta vs tors. theta energy: -9.302
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: 9
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -61.316859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.316859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.316859 (E_RNA)
where:
Base-Base interactions energy: -23.990
where: short stacking energy: -14.872
Base-Backbone interact. energy: 0.219
local terms energy: -37.545779
where:
bonds (distance) C4'-P energy: -9.745
bonds (distance) P-C4' energy: -11.019
flat angles C4'-P-C4' energy: -6.053
flat angles P-C4'-P energy: -7.902
tors. eta vs tors. theta energy: -2.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -54.526724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.526724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.526724 (E_RNA)
where:
Base-Base interactions energy: -14.449
where: short stacking energy: -8.248
Base-Backbone interact. energy: -1.063
local terms energy: -39.013955
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -9.338
flat angles P-C4'-P energy: -6.945
tors. eta vs tors. theta energy: 0.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -66.344129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.344129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.344129 (E_RNA)
where:
Base-Base interactions energy: -28.856
where: short stacking energy: -8.043
Base-Backbone interact. energy: -0.191
local terms energy: -37.296600
where:
bonds (distance) C4'-P energy: -8.482
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -8.762
flat angles P-C4'-P energy: -7.628
tors. eta vs tors. theta energy: 0.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -68.431781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.431781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.431781 (E_RNA)
where:
Base-Base interactions energy: -32.460
where: short stacking energy: -14.457
Base-Backbone interact. energy: -0.004
local terms energy: -35.967912
where:
bonds (distance) C4'-P energy: -10.073
bonds (distance) P-C4' energy: -7.250
flat angles C4'-P-C4' energy: -9.545
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -0.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -149.323352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.323352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.323352 (E_RNA)
where:
Base-Base interactions energy: -96.215
where: short stacking energy: -36.924
Base-Backbone interact. energy: -0.039
local terms energy: -53.070178
where:
bonds (distance) C4'-P energy: -11.423
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -10.776
flat angles P-C4'-P energy: -8.810
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: 2, replica: 7
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -147.380708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.380708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.380708 (E_RNA)
where:
Base-Base interactions energy: -95.598
where: short stacking energy: -34.086
Base-Backbone interact. energy: -0.063
local terms energy: -51.719665
where:
bonds (distance) C4'-P energy: -9.443
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -11.471
flat angles P-C4'-P energy: -9.476
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: 3, replica: 2
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -74.879408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.879408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.879408 (E_RNA)
where:
Base-Base interactions energy: -29.615
where: short stacking energy: -25.297
Base-Backbone interact. energy: -0.153
local terms energy: -45.111729
where:
bonds (distance) C4'-P energy: -10.264
bonds (distance) P-C4' energy: -11.102
flat angles C4'-P-C4' energy: -9.912
flat angles P-C4'-P energy: -6.747
tors. eta vs tors. theta energy: -7.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -136.187003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.187003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.187003 (E_RNA)
where:
Base-Base interactions energy: -80.844
where: short stacking energy: -34.510
Base-Backbone interact. energy: -1.078
local terms energy: -54.264641
where:
bonds (distance) C4'-P energy: -10.483
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -11.034
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -9.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -72.336051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.336051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.336051 (E_RNA)
where:
Base-Base interactions energy: -33.072
where: short stacking energy: -24.555
Base-Backbone interact. energy: 0.105
local terms energy: -39.368198
where:
bonds (distance) C4'-P energy: -10.005
bonds (distance) P-C4' energy: -11.584
flat angles C4'-P-C4' energy: -10.800
flat angles P-C4'-P energy: -3.607
tors. eta vs tors. theta energy: -3.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -92.425491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.425491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.425491 (E_RNA)
where:
Base-Base interactions energy: -51.677
where: short stacking energy: -24.438
Base-Backbone interact. energy: -0.121
local terms energy: -40.628114
where:
bonds (distance) C4'-P energy: -10.047
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -9.079
flat angles P-C4'-P energy: -3.412
tors. eta vs tors. theta energy: -4.139
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: 9
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -63.505162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.505162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.505162 (E_RNA)
where:
Base-Base interactions energy: -18.061
where: short stacking energy: -18.061
Base-Backbone interact. energy: 0.698
local terms energy: -46.142561
where:
bonds (distance) C4'-P energy: -12.329
bonds (distance) P-C4' energy: -11.054
flat angles C4'-P-C4' energy: -10.211
flat angles P-C4'-P energy: -6.604
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: 19
Temperature: 1.250000
Total energy: -65.794897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.794897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.794897 (E_RNA)
where:
Base-Base interactions energy: -29.274
where: short stacking energy: -9.683
Base-Backbone interact. energy: -0.056
local terms energy: -36.464722
where:
bonds (distance) C4'-P energy: -8.943
bonds (distance) P-C4' energy: -11.151
flat angles C4'-P-C4' energy: -11.438
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: 3.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -58.397508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.397508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.397508 (E_RNA)
where:
Base-Base interactions energy: -15.353
where: short stacking energy: -15.353
Base-Backbone interact. energy: -0.232
local terms energy: -42.812233
where:
bonds (distance) C4'-P energy: -12.864
bonds (distance) P-C4' energy: -12.090
flat angles C4'-P-C4' energy: -11.958
flat angles P-C4'-P energy: -6.338
tors. eta vs tors. theta energy: 0.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -60.485233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.485233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.485233 (E_RNA)
where:
Base-Base interactions energy: -34.181
where: short stacking energy: -16.383
Base-Backbone interact. energy: -0.986
local terms energy: -25.318025
where:
bonds (distance) C4'-P energy: -4.669
bonds (distance) P-C4' energy: -12.743
flat angles C4'-P-C4' energy: 2.714
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -0.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -148.416310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.416310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.416310 (E_RNA)
where:
Base-Base interactions energy: -99.952
where: short stacking energy: -36.086
Base-Backbone interact. energy: 0.690
local terms energy: -49.153920
where:
bonds (distance) C4'-P energy: -11.222
bonds (distance) P-C4' energy: -7.291
flat angles C4'-P-C4' energy: -11.329
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: -11.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -151.339265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.339265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.339265 (E_RNA)
where:
Base-Base interactions energy: -100.502
where: short stacking energy: -38.352
Base-Backbone interact. energy: 0.269
local terms energy: -51.105622
where:
bonds (distance) C4'-P energy: -11.037
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -9.155
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: -11.055
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: 20
Temperature: 1.000000
Total energy: -131.360102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.360102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.360102 (E_RNA)
where:
Base-Base interactions energy: -79.472
where: short stacking energy: -33.478
Base-Backbone interact. energy: 0.953
local terms energy: -52.841723
where:
bonds (distance) C4'-P energy: -9.451
bonds (distance) P-C4' energy: -12.065
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -12.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -84.075553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.075553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.075553 (E_RNA)
where:
Base-Base interactions energy: -34.381
where: short stacking energy: -28.476
Base-Backbone interact. energy: -0.019
local terms energy: -49.676377
where:
bonds (distance) C4'-P energy: -12.159
bonds (distance) P-C4' energy: -12.127
flat angles C4'-P-C4' energy: -11.188
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -6.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -129.670922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.670922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.670922 (E_RNA)
where:
Base-Base interactions energy: -75.522
where: short stacking energy: -32.934
Base-Backbone interact. energy: -0.000
local terms energy: -54.148966
where:
bonds (distance) C4'-P energy: -10.572
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -11.000
flat angles P-C4'-P energy: -7.011
tors. eta vs tors. theta energy: -11.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -78.102109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.102109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.102109 (E_RNA)
where:
Base-Base interactions energy: -42.072
where: short stacking energy: -24.325
Base-Backbone interact. energy: -0.075
local terms energy: -35.955201
where:
bonds (distance) C4'-P energy: -10.060
bonds (distance) P-C4' energy: -12.038
flat angles C4'-P-C4' energy: -4.035
flat angles P-C4'-P energy: -4.945
tors. eta vs tors. theta energy: -4.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -68.991711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.991711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.991711 (E_RNA)
where:
Base-Base interactions energy: -31.174
where: short stacking energy: -17.168
Base-Backbone interact. energy: 0.914
local terms energy: -38.731994
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -10.123
flat angles P-C4'-P energy: -0.947
tors. eta vs tors. theta energy: -1.725
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: 9
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -59.304351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.304351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.304351 (E_RNA)
where:
Base-Base interactions energy: -15.903
where: short stacking energy: -15.903
Base-Backbone interact. energy: -0.972
local terms energy: -42.429632
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -6.946
flat angles P-C4'-P energy: -7.961
tors. eta vs tors. theta energy: -1.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -59.351238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.351238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.351238 (E_RNA)
where:
Base-Base interactions energy: -25.943
where: short stacking energy: -8.879
Base-Backbone interact. energy: 0.524
local terms energy: -33.932767
where:
bonds (distance) C4'-P energy: -10.243
bonds (distance) P-C4' energy: -14.478
flat angles C4'-P-C4' energy: -5.977
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: 4.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -55.794482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.794482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.794482 (E_RNA)
where:
Base-Base interactions energy: -20.020
where: short stacking energy: -13.004
Base-Backbone interact. energy: -0.057
local terms energy: -35.717622
where:
bonds (distance) C4'-P energy: -9.062
bonds (distance) P-C4' energy: -9.629
flat angles C4'-P-C4' energy: -11.525
flat angles P-C4'-P energy: -5.800
tors. eta vs tors. theta energy: 0.298
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: 1, replica: 7
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -146.535683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.535683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.535683 (E_RNA)
where:
Base-Base interactions energy: -93.408
where: short stacking energy: -35.182
Base-Backbone interact. energy: 0.585
local terms energy: -53.712543
where:
bonds (distance) C4'-P energy: -12.481
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -9.849
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -9.211
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: 8
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -145.229916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.229916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.229916 (E_RNA)
where:
Base-Base interactions energy: -90.709
where: short stacking energy: -48.190
Base-Backbone interact. energy: -0.000
local terms energy: -54.520206
where:
bonds (distance) C4'-P energy: -10.652
bonds (distance) P-C4' energy: -9.805
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -13.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -140.717404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.717404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.717404 (E_RNA)
where:
Base-Base interactions energy: -98.424
where: short stacking energy: -30.997
Base-Backbone interact. energy: -0.192
local terms energy: -42.101468
where:
bonds (distance) C4'-P energy: -10.287
bonds (distance) P-C4' energy: -7.725
flat angles C4'-P-C4' energy: -6.106
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -7.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -140.208258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.208258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.208258 (E_RNA)
where:
Base-Base interactions energy: -97.258
where: short stacking energy: -27.335
Base-Backbone interact. energy: -0.003
local terms energy: -42.946820
where:
bonds (distance) C4'-P energy: -11.405
bonds (distance) P-C4' energy: -8.776
flat angles C4'-P-C4' energy: -7.645
flat angles P-C4'-P energy: -6.286
tors. eta vs tors. theta energy: -8.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -80.511222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.511222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.511222 (E_RNA)
where:
Base-Base interactions energy: -41.079
where: short stacking energy: -17.755
Base-Backbone interact. energy: -0.053
local terms energy: -39.378772
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -7.275
flat angles P-C4'-P energy: -4.053
tors. eta vs tors. theta energy: -3.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -70.294854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.294854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.294854 (E_RNA)
where:
Base-Base interactions energy: -32.318
where: short stacking energy: -15.282
Base-Backbone interact. energy: -0.277
local terms energy: -37.700363
where:
bonds (distance) C4'-P energy: -10.830
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -8.560
flat angles P-C4'-P energy: -4.128
tors. eta vs tors. theta energy: -1.460
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: 4
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -60.307250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.307250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.307250 (E_RNA)
where:
Base-Base interactions energy: -19.565
where: short stacking energy: -18.918
Base-Backbone interact. energy: -0.210
local terms energy: -40.532797
where:
bonds (distance) C4'-P energy: -9.579
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -7.970
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: 0.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -73.474726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.474726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.474726 (E_RNA)
where:
Base-Base interactions energy: -26.517
where: short stacking energy: -26.517
Base-Backbone interact. energy: -0.004
local terms energy: -46.953731
where:
bonds (distance) C4'-P energy: -11.584
bonds (distance) P-C4' energy: -11.174
flat angles C4'-P-C4' energy: -8.263
flat angles P-C4'-P energy: -7.619
tors. eta vs tors. theta energy: -8.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -54.916102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.916102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.916102 (E_RNA)
where:
Base-Base interactions energy: -14.568
where: short stacking energy: -14.568
Base-Backbone interact. energy: 1.100
local terms energy: -41.448757
where:
bonds (distance) C4'-P energy: -10.192
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -10.150
flat angles P-C4'-P energy: -7.642
tors. eta vs tors. theta energy: 1.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -63.936626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.936626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.936626 (E_RNA)
where:
Base-Base interactions energy: -24.002
where: short stacking energy: -9.906
Base-Backbone interact. energy: -1.683
local terms energy: -38.251716
where:
bonds (distance) C4'-P energy: -3.875
bonds (distance) P-C4' energy: -11.551
flat angles C4'-P-C4' energy: -11.707
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -0.849
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: 22
Temperature: 0.900000
Total energy: -149.503307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.503307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.503307 (E_RNA)
where:
Base-Base interactions energy: -92.667
where: short stacking energy: -40.673
Base-Backbone interact. energy: -0.001
local terms energy: -56.835192
where:
bonds (distance) C4'-P energy: -10.429
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -11.912
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: 7
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -157.752107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.752107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.752107 (E_RNA)
where:
Base-Base interactions energy: -100.493
where: short stacking energy: -35.663
Base-Backbone interact. energy: -0.084
local terms energy: -57.175339
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -11.287
flat angles P-C4'-P energy: -7.545
tors. eta vs tors. theta energy: -12.647
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: 6
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -145.385754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.385754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.385754 (E_RNA)
where:
Base-Base interactions energy: -89.397
where: short stacking energy: -35.931
Base-Backbone interact. energy: -0.009
local terms energy: -55.980395
where:
bonds (distance) C4'-P energy: -11.376
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -7.385
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: 4, replica: 5
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -131.824176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.824176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.824176 (E_RNA)
where:
Base-Base interactions energy: -84.659
where: short stacking energy: -25.890
Base-Backbone interact. energy: -0.133
local terms energy: -47.032433
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -8.903
flat angles C4'-P-C4' energy: -11.990
flat angles P-C4'-P energy: -5.789
tors. eta vs tors. theta energy: -8.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -74.220032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.220032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.220032 (E_RNA)
where:
Base-Base interactions energy: -29.295
where: short stacking energy: -14.170
Base-Backbone interact. energy: -0.192
local terms energy: -44.732694
where:
bonds (distance) C4'-P energy: -9.328
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -12.821
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: 0.351
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: 2
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -74.137565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.137565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.137565 (E_RNA)
where:
Base-Base interactions energy: -36.018
where: short stacking energy: -28.288
Base-Backbone interact. energy: 0.233
local terms energy: -38.352925
where:
bonds (distance) C4'-P energy: -7.050
bonds (distance) P-C4' energy: -11.078
flat angles C4'-P-C4' energy: -7.521
flat angles P-C4'-P energy: -5.423
tors. eta vs tors. theta energy: -7.282
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: 7, replica: 10
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -65.811540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.811540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.811540 (E_RNA)
where:
Base-Base interactions energy: -20.605
where: short stacking energy: -20.605
Base-Backbone interact. energy: -0.849
local terms energy: -44.357028
where:
bonds (distance) C4'-P energy: -11.575
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -10.190
flat angles P-C4'-P energy: -5.868
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: 8, replica: 4
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -62.449146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.449146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.449146 (E_RNA)
where:
Base-Base interactions energy: -26.799
where: short stacking energy: -14.323
Base-Backbone interact. energy: 1.630
local terms energy: -37.279969
where:
bonds (distance) C4'-P energy: -9.674
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -9.532
flat angles P-C4'-P energy: -5.525
tors. eta vs tors. theta energy: 0.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -54.436500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.436500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.436500 (E_RNA)
where:
Base-Base interactions energy: -19.714
where: short stacking energy: -9.339
Base-Backbone interact. energy: 3.506
local terms energy: -38.228455
where:
bonds (distance) C4'-P energy: -10.045
bonds (distance) P-C4' energy: -10.504
flat angles C4'-P-C4' energy: -9.249
flat angles P-C4'-P energy: -7.646
tors. eta vs tors. theta energy: -0.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -59.111905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.111905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.111905 (E_RNA)
where:
Base-Base interactions energy: -19.016
where: short stacking energy: -19.016
Base-Backbone interact. energy: 0.195
local terms energy: -40.290957
where:
bonds (distance) C4'-P energy: -10.978
bonds (distance) P-C4' energy: -10.542
flat angles C4'-P-C4' energy: -4.452
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: -2.327
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: 8
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -136.629922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.629922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.629922 (E_RNA)
where:
Base-Base interactions energy: -89.779
where: short stacking energy: -37.868
Base-Backbone interact. energy: -0.050
local terms energy: -46.801219
where:
bonds (distance) C4'-P energy: -10.064
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -11.766
flat angles P-C4'-P energy: -2.847
tors. eta vs tors. theta energy: -9.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -154.228992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.228992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.228992 (E_RNA)
where:
Base-Base interactions energy: -100.862
where: short stacking energy: -39.899
Base-Backbone interact. energy: -0.009
local terms energy: -53.357751
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -9.220
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: -11.745
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: 3, replica: 6
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -152.204489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.204489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.204489 (E_RNA)
where:
Base-Base interactions energy: -100.518
where: short stacking energy: -45.513
Base-Backbone interact. energy: -0.009
local terms energy: -51.677399
where:
bonds (distance) C4'-P energy: -9.487
bonds (distance) P-C4' energy: -9.762
flat angles C4'-P-C4' energy: -10.257
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -12.615
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: 5
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -130.912566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.912566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.912566 (E_RNA)
where:
Base-Base interactions energy: -83.557
where: short stacking energy: -31.456
Base-Backbone interact. energy: -0.347
local terms energy: -47.007982
where:
bonds (distance) C4'-P energy: -9.958
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -9.610
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -5.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -90.178371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.178371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.178371 (E_RNA)
where:
Base-Base interactions energy: -43.948
where: short stacking energy: -27.608
Base-Backbone interact. energy: -0.011
local terms energy: -46.219054
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -11.464
flat angles C4'-P-C4' energy: -12.145
flat angles P-C4'-P energy: -5.744
tors. eta vs tors. theta energy: -3.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -60.525944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.525944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.525944 (E_RNA)
where:
Base-Base interactions energy: -19.448
where: short stacking energy: -19.448
Base-Backbone interact. energy: -0.013
local terms energy: -41.064299
where:
bonds (distance) C4'-P energy: -8.408
bonds (distance) P-C4' energy: -9.084
flat angles C4'-P-C4' energy: -9.048
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -5.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -67.318153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.318153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.318153 (E_RNA)
where:
Base-Base interactions energy: -27.613
where: short stacking energy: -19.265
Base-Backbone interact. energy: -0.189
local terms energy: -39.516233
where:
bonds (distance) C4'-P energy: -7.755
bonds (distance) P-C4' energy: -13.389
flat angles C4'-P-C4' energy: -11.561
flat angles P-C4'-P energy: -2.064
tors. eta vs tors. theta energy: -4.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -73.373028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.373028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.373028 (E_RNA)
where:
Base-Base interactions energy: -39.033
where: short stacking energy: -5.396
Base-Backbone interact. energy: 0.370
local terms energy: -34.709541
where:
bonds (distance) C4'-P energy: -7.899
bonds (distance) P-C4' energy: -12.534
flat angles C4'-P-C4' energy: -12.055
flat angles P-C4'-P energy: -0.890
tors. eta vs tors. theta energy: -1.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -64.604585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.604585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.604585 (E_RNA)
where:
Base-Base interactions energy: -32.494
where: short stacking energy: -14.173
Base-Backbone interact. energy: -0.105
local terms energy: -32.006120
where:
bonds (distance) C4'-P energy: -6.959
bonds (distance) P-C4' energy: -9.930
flat angles C4'-P-C4' energy: -7.604
flat angles P-C4'-P energy: -5.826
tors. eta vs tors. theta energy: -1.687
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: 10, replica: 9
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -86.559339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.559339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.559339 (E_RNA)
where:
Base-Base interactions energy: -45.104
where: short stacking energy: -25.999
Base-Backbone interact. energy: -0.224
local terms energy: -41.231051
where:
bonds (distance) C4'-P energy: -9.459
bonds (distance) P-C4' energy: -10.823
flat angles C4'-P-C4' energy: -10.415
flat angles P-C4'-P energy: -3.988
tors. eta vs tors. theta energy: -6.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -141.085871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.085871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.085871 (E_RNA)
where:
Base-Base interactions energy: -95.358
where: short stacking energy: -38.401
Base-Backbone interact. energy: -0.080
local terms energy: -45.648465
where:
bonds (distance) C4'-P energy: -10.706
bonds (distance) P-C4' energy: -11.429
flat angles C4'-P-C4' energy: -9.628
flat angles P-C4'-P energy: -6.438
tors. eta vs tors. theta energy: -7.447
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: 7
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -135.828307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.828307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.828307 (E_RNA)
where:
Base-Base interactions energy: -80.801
where: short stacking energy: -36.321
Base-Backbone interact. energy: -0.082
local terms energy: -54.945498
where:
bonds (distance) C4'-P energy: -8.752
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -10.846
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -13.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -139.788114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.788114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.788114 (E_RNA)
where:
Base-Base interactions energy: -92.821
where: short stacking energy: -32.761
Base-Backbone interact. energy: 0.645
local terms energy: -47.612329
where:
bonds (distance) C4'-P energy: -12.105
bonds (distance) P-C4' energy: -11.820
flat angles C4'-P-C4' energy: -12.302
flat angles P-C4'-P energy: -4.358
tors. eta vs tors. theta energy: -7.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -128.135047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.135047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.135047 (E_RNA)
where:
Base-Base interactions energy: -71.336
where: short stacking energy: -32.095
Base-Backbone interact. energy: -1.154
local terms energy: -55.645884
where:
bonds (distance) C4'-P energy: -10.607
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -8.435
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: 5, replica: 10
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -80.707006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.707006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.707006 (E_RNA)
where:
Base-Base interactions energy: -33.732
where: short stacking energy: -32.358
Base-Backbone interact. energy: -0.113
local terms energy: -46.862239
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -10.476
flat angles C4'-P-C4' energy: -6.452
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -8.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -59.290451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.290451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.290451 (E_RNA)
where:
Base-Base interactions energy: -14.701
where: short stacking energy: -14.449
Base-Backbone interact. energy: -0.052
local terms energy: -44.537785
where:
bonds (distance) C4'-P energy: -9.502
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -10.166
flat angles P-C4'-P energy: -9.676
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: 7, replica: 3
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -69.391128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.391128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.391128 (E_RNA)
where:
Base-Base interactions energy: -28.726
where: short stacking energy: -20.101
Base-Backbone interact. energy: -0.111
local terms energy: -40.554411
where:
bonds (distance) C4'-P energy: -11.070
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -8.650
flat angles P-C4'-P energy: -8.285
tors. eta vs tors. theta energy: -0.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -60.334840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.334840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.334840 (E_RNA)
where:
Base-Base interactions energy: -21.865
where: short stacking energy: -15.601
Base-Backbone interact. energy: -0.053
local terms energy: -38.416989
where:
bonds (distance) C4'-P energy: -8.234
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -11.199
flat angles P-C4'-P energy: -7.901
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: 9
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -66.850034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.850034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.850034 (E_RNA)
where:
Base-Base interactions energy: -31.550
where: short stacking energy: -19.087
Base-Backbone interact. energy: 0.865
local terms energy: -36.165454
where:
bonds (distance) C4'-P energy: -9.407
bonds (distance) P-C4' energy: -7.971
flat angles C4'-P-C4' energy: -8.923
flat angles P-C4'-P energy: -5.947
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: 10, replica: 4
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -56.483527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.483527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.483527 (E_RNA)
where:
Base-Base interactions energy: -24.636
where: short stacking energy: -17.992
Base-Backbone interact. energy: -0.262
local terms energy: -31.585568
where:
bonds (distance) C4'-P energy: -8.239
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -8.635
flat angles P-C4'-P energy: -4.929
tors. eta vs tors. theta energy: 2.721
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: 8
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -143.900328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.900328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.900328 (E_RNA)
where:
Base-Base interactions energy: -92.848
where: short stacking energy: -34.116
Base-Backbone interact. energy: -0.070
local terms energy: -50.982283
where:
bonds (distance) C4'-P energy: -9.146
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -5.644
tors. eta vs tors. theta energy: -10.803
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: 2, replica: 5
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -138.567997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.567997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.567997 (E_RNA)
where:
Base-Base interactions energy: -88.159
where: short stacking energy: -34.728
Base-Backbone interact. energy: -0.881
local terms energy: -49.527604
where:
bonds (distance) C4'-P energy: -11.360
bonds (distance) P-C4' energy: -10.026
flat angles C4'-P-C4' energy: -10.477
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -7.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -145.133945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.133945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.133945 (E_RNA)
where:
Base-Base interactions energy: -100.542
where: short stacking energy: -38.268
Base-Backbone interact. energy: -0.005
local terms energy: -44.586942
where:
bonds (distance) C4'-P energy: -9.257
bonds (distance) P-C4' energy: -7.478
flat angles C4'-P-C4' energy: -8.276
flat angles P-C4'-P energy: -6.321
tors. eta vs tors. theta energy: -13.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -81.679782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.679782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.679782 (E_RNA)
where:
Base-Base interactions energy: -32.308
where: short stacking energy: -23.227
Base-Backbone interact. energy: -0.064
local terms energy: -49.307847
where:
bonds (distance) C4'-P energy: -10.806
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -5.351
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: 5, replica: 6
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -128.912021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.912021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.912021 (E_RNA)
where:
Base-Base interactions energy: -73.661
where: short stacking energy: -34.934
Base-Backbone interact. energy: -0.066
local terms energy: -55.185222
where:
bonds (distance) C4'-P energy: -10.735
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -10.970
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -11.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -73.250328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.250328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.250328 (E_RNA)
where:
Base-Base interactions energy: -26.566
where: short stacking energy: -21.493
Base-Backbone interact. energy: -0.181
local terms energy: -46.502982
where:
bonds (distance) C4'-P energy: -11.000
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -11.337
flat angles P-C4'-P energy: -7.466
tors. eta vs tors. theta energy: -3.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -62.604523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.604523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.604523 (E_RNA)
where:
Base-Base interactions energy: -19.600
where: short stacking energy: -17.001
Base-Backbone interact. energy: -0.057
local terms energy: -42.947298
where:
bonds (distance) C4'-P energy: -10.789
bonds (distance) P-C4' energy: -10.958
flat angles C4'-P-C4' energy: -10.635
flat angles P-C4'-P energy: -5.189
tors. eta vs tors. theta energy: -5.376
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: 8, replica: 9
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -62.220074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.220074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.220074 (E_RNA)
where:
Base-Base interactions energy: -17.764
where: short stacking energy: -18.264
Base-Backbone interact. energy: 0.128
local terms energy: -44.583976
where:
bonds (distance) C4'-P energy: -10.235
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -5.053
tors. eta vs tors. theta energy: -2.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -52.235313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.235313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.235313 (E_RNA)
where:
Base-Base interactions energy: -17.035
where: short stacking energy: -10.571
Base-Backbone interact. energy: -0.214
local terms energy: -34.986081
where:
bonds (distance) C4'-P energy: -8.635
bonds (distance) P-C4' energy: -9.265
flat angles C4'-P-C4' energy: -8.965
flat angles P-C4'-P energy: -7.101
tors. eta vs tors. theta energy: -1.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -59.607784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.607784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.607784 (E_RNA)
where:
Base-Base interactions energy: -24.396
where: short stacking energy: -9.992
Base-Backbone interact. energy: -0.209
local terms energy: -35.002928
where:
bonds (distance) C4'-P energy: -11.149
bonds (distance) P-C4' energy: -12.170
flat angles C4'-P-C4' energy: -6.941
flat angles P-C4'-P energy: -5.432
tors. eta vs tors. theta energy: 0.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -157.572276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.572276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.572276 (E_RNA)
where:
Base-Base interactions energy: -100.733
where: short stacking energy: -41.817
Base-Backbone interact. energy: -0.002
local terms energy: -56.837200
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -9.882
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -13.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -149.556425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.556425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.556425 (E_RNA)
where:
Base-Base interactions energy: -97.950
where: short stacking energy: -22.731
Base-Backbone interact. energy: -0.710
local terms energy: -50.896260
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -11.030
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -7.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -145.086221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.086221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.086221 (E_RNA)
where:
Base-Base interactions energy: -92.850
where: short stacking energy: -37.855
Base-Backbone interact. energy: -0.085
local terms energy: -52.151447
where:
bonds (distance) C4'-P energy: -10.189
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -10.708
flat angles P-C4'-P energy: -5.143
tors. eta vs tors. theta energy: -12.387
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: 10
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -98.692547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.692547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.692547 (E_RNA)
where:
Base-Base interactions energy: -50.951
where: short stacking energy: -28.899
Base-Backbone interact. energy: -0.014
local terms energy: -47.726698
where:
bonds (distance) C4'-P energy: -11.584
bonds (distance) P-C4' energy: -12.406
flat angles C4'-P-C4' energy: -10.026
flat angles P-C4'-P energy: -5.882
tors. eta vs tors. theta energy: -7.829
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: 5, replica: 3
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -83.755379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.755379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.755379 (E_RNA)
where:
Base-Base interactions energy: -41.321
where: short stacking energy: -19.651
Base-Backbone interact. energy: 0.138
local terms energy: -42.573108
where:
bonds (distance) C4'-P energy: -10.321
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -10.886
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: -0.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -114.651714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.651714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.651714 (E_RNA)
where:
Base-Base interactions energy: -68.253
where: short stacking energy: -26.143
Base-Backbone interact. energy: -0.123
local terms energy: -46.275783
where:
bonds (distance) C4'-P energy: -10.159
bonds (distance) P-C4' energy: -10.351
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -6.147
tors. eta vs tors. theta energy: -6.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -71.637431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.637431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.637431 (E_RNA)
where:
Base-Base interactions energy: -25.488
where: short stacking energy: -25.488
Base-Backbone interact. energy: -0.049
local terms energy: -46.101075
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -10.169
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: -4.503
tors. eta vs tors. theta energy: -7.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -68.411381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.411381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.411381 (E_RNA)
where:
Base-Base interactions energy: -25.082
where: short stacking energy: -23.379
Base-Backbone interact. energy: -0.980
local terms energy: -42.349525
where:
bonds (distance) C4'-P energy: -11.692
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -7.732
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -1.880
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: 4
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -64.770002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.770002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.770002 (E_RNA)
where:
Base-Base interactions energy: -24.519
where: short stacking energy: -16.940
Base-Backbone interact. energy: -0.013
local terms energy: -40.238069
where:
bonds (distance) C4'-P energy: -11.596
bonds (distance) P-C4' energy: -11.826
flat angles C4'-P-C4' energy: -9.402
flat angles P-C4'-P energy: -4.428
tors. eta vs tors. theta energy: -2.986
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: 10, replica: 2
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -60.640505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.640505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.640505 (E_RNA)
where:
Base-Base interactions energy: -25.995
where: short stacking energy: -13.943
Base-Backbone interact. energy: -0.081
local terms energy: -34.564366
where:
bonds (distance) C4'-P energy: -8.619
bonds (distance) P-C4' energy: -10.893
flat angles C4'-P-C4' energy: -6.894
flat angles P-C4'-P energy: -7.131
tors. eta vs tors. theta energy: -1.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -161.682302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.682302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.682302 (E_RNA)
where:
Base-Base interactions energy: -110.926
where: short stacking energy: -38.551
Base-Backbone interact. energy: -0.081
local terms energy: -50.675753
where:
bonds (distance) C4'-P energy: -10.751
bonds (distance) P-C4' energy: -7.669
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -6.580
tors. eta vs tors. theta energy: -11.557
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: 2, replica: 7
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -144.493443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.493443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.493443 (E_RNA)
where:
Base-Base interactions energy: -101.142
where: short stacking energy: -25.894
Base-Backbone interact. energy: -0.159
local terms energy: -43.192288
where:
bonds (distance) C4'-P energy: -7.594
bonds (distance) P-C4' energy: -11.966
flat angles C4'-P-C4' energy: -11.778
flat angles P-C4'-P energy: -3.999
tors. eta vs tors. theta energy: -7.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -137.120069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.120069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.120069 (E_RNA)
where:
Base-Base interactions energy: -82.728
where: short stacking energy: -30.589
Base-Backbone interact. energy: -0.200
local terms energy: -54.192363
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -11.306
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -8.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -87.756358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.756358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.756358 (E_RNA)
where:
Base-Base interactions energy: -43.286
where: short stacking energy: -20.980
Base-Backbone interact. energy: -0.102
local terms energy: -44.368233
where:
bonds (distance) C4'-P energy: -11.828
bonds (distance) P-C4' energy: -10.025
flat angles C4'-P-C4' energy: -7.126
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -5.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -95.243792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.243792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.243792 (E_RNA)
where:
Base-Base interactions energy: -50.817
where: short stacking energy: -17.470
Base-Backbone interact. energy: -0.343
local terms energy: -44.084534
where:
bonds (distance) C4'-P energy: -10.838
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -10.504
flat angles P-C4'-P energy: -8.892
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: 6, replica: 6
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -138.319998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.319998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.319998 (E_RNA)
where:
Base-Base interactions energy: -86.207
where: short stacking energy: -31.121
Base-Backbone interact. energy: -0.008
local terms energy: -52.104199
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -10.869
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -6.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -60.233026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.233026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.233026 (E_RNA)
where:
Base-Base interactions energy: -20.860
where: short stacking energy: -14.022
Base-Backbone interact. energy: -0.102
local terms energy: -39.271491
where:
bonds (distance) C4'-P energy: -11.203
bonds (distance) P-C4' energy: -8.886
flat angles C4'-P-C4' energy: -7.967
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -1.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -57.780311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.780311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.780311 (E_RNA)
where:
Base-Base interactions energy: -17.099
where: short stacking energy: -17.099
Base-Backbone interact. energy: -0.041
local terms energy: -40.641228
where:
bonds (distance) C4'-P energy: -10.909
bonds (distance) P-C4' energy: -10.341
flat angles C4'-P-C4' energy: -6.623
flat angles P-C4'-P energy: -7.102
tors. eta vs tors. theta energy: -5.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -61.668376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.668376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.668376 (E_RNA)
where:
Base-Base interactions energy: -29.341
where: short stacking energy: -19.592
Base-Backbone interact. energy: -0.048
local terms energy: -32.279693
where:
bonds (distance) C4'-P energy: -10.296
bonds (distance) P-C4' energy: -10.225
flat angles C4'-P-C4' energy: -9.291
flat angles P-C4'-P energy: -0.251
tors. eta vs tors. theta energy: -2.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -59.452112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.452112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.452112 (E_RNA)
where:
Base-Base interactions energy: -26.082
where: short stacking energy: -16.579
Base-Backbone interact. energy: -0.165
local terms energy: -33.205357
where:
bonds (distance) C4'-P energy: -9.977
bonds (distance) P-C4' energy: -9.192
flat angles C4'-P-C4' energy: -9.561
flat angles P-C4'-P energy: -5.828
tors. eta vs tors. theta energy: 1.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -152.509909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.509909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.509909 (E_RNA)
where:
Base-Base interactions energy: -94.748
where: short stacking energy: -32.776
Base-Backbone interact. energy: -0.202
local terms energy: -57.560262
where:
bonds (distance) C4'-P energy: -12.536
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -10.719
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -12.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -138.309796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.309796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.309796 (E_RNA)
where:
Base-Base interactions energy: -82.015
where: short stacking energy: -41.951
Base-Backbone interact. energy: -0.242
local terms energy: -56.052916
where:
bonds (distance) C4'-P energy: -11.211
bonds (distance) P-C4' energy: -14.932
flat angles C4'-P-C4' energy: -9.410
flat angles P-C4'-P energy: -4.302
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: 3, replica: 10
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -104.906444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.906444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.906444 (E_RNA)
where:
Base-Base interactions energy: -57.753
where: short stacking energy: -23.563
Base-Backbone interact. energy: -0.168
local terms energy: -46.984837
where:
bonds (distance) C4'-P energy: -8.403
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -10.632
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -7.010
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: 5
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -130.730302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.730302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.730302 (E_RNA)
where:
Base-Base interactions energy: -87.404
where: short stacking energy: -27.415
Base-Backbone interact. energy: 0.677
local terms energy: -44.002864
where:
bonds (distance) C4'-P energy: -10.466
bonds (distance) P-C4' energy: -9.493
flat angles C4'-P-C4' energy: -11.354
flat angles P-C4'-P energy: -3.764
tors. eta vs tors. theta energy: -8.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -132.214327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.214327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.214327 (E_RNA)
where:
Base-Base interactions energy: -86.294
where: short stacking energy: -33.819
Base-Backbone interact. energy: -0.106
local terms energy: -45.814843
where:
bonds (distance) C4'-P energy: -5.891
bonds (distance) P-C4' energy: -8.186
flat angles C4'-P-C4' energy: -11.707
flat angles P-C4'-P energy: -7.025
tors. eta vs tors. theta energy: -13.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -87.467642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.467642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.467642 (E_RNA)
where:
Base-Base interactions energy: -51.150
where: short stacking energy: -28.597
Base-Backbone interact. energy: -0.298
local terms energy: -36.019296
where:
bonds (distance) C4'-P energy: -9.250
bonds (distance) P-C4' energy: -9.132
flat angles C4'-P-C4' energy: -6.851
flat angles P-C4'-P energy: -5.563
tors. eta vs tors. theta energy: -5.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -62.391869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.391869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.391869 (E_RNA)
where:
Base-Base interactions energy: -24.308
where: short stacking energy: -13.745
Base-Backbone interact. energy: 0.582
local terms energy: -38.665834
where:
bonds (distance) C4'-P energy: -12.458
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -9.460
flat angles P-C4'-P energy: -5.777
tors. eta vs tors. theta energy: 3.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -69.795010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.795010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.795010 (E_RNA)
where:
Base-Base interactions energy: -32.911
where: short stacking energy: -12.849
Base-Backbone interact. energy: -0.099
local terms energy: -36.784767
where:
bonds (distance) C4'-P energy: -11.878
bonds (distance) P-C4' energy: -10.403
flat angles C4'-P-C4' energy: -8.673
flat angles P-C4'-P energy: -6.644
tors. eta vs tors. theta energy: 0.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -53.809248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.809248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.809248 (E_RNA)
where:
Base-Base interactions energy: -15.781
where: short stacking energy: -7.564
Base-Backbone interact. energy: -0.149
local terms energy: -37.879723
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -11.476
flat angles P-C4'-P energy: -4.618
tors. eta vs tors. theta energy: 1.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -57.891900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.891900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.891900 (E_RNA)
where:
Base-Base interactions energy: -20.025
where: short stacking energy: -9.051
Base-Backbone interact. energy: -0.037
local terms energy: -37.829716
where:
bonds (distance) C4'-P energy: -12.813
bonds (distance) P-C4' energy: -10.278
flat angles C4'-P-C4' energy: -10.065
flat angles P-C4'-P energy: -2.885
tors. eta vs tors. theta energy: -1.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -155.200877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.200877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.200877 (E_RNA)
where:
Base-Base interactions energy: -103.547
where: short stacking energy: -41.186
Base-Backbone interact. energy: -1.048
local terms energy: -50.605893
where:
bonds (distance) C4'-P energy: -7.714
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -8.415
flat angles P-C4'-P energy: -9.640
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: 2, replica: 7
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -147.752479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.752479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.752479 (E_RNA)
where:
Base-Base interactions energy: -93.785
where: short stacking energy: -39.353
Base-Backbone interact. energy: -0.119
local terms energy: -53.848965
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -10.843
flat angles P-C4'-P energy: -6.219
tors. eta vs tors. theta energy: -11.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -108.609268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.609268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.609268 (E_RNA)
where:
Base-Base interactions energy: -61.940
where: short stacking energy: -27.475
Base-Backbone interact. energy: -0.070
local terms energy: -46.599885
where:
bonds (distance) C4'-P energy: -11.665
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -8.681
flat angles P-C4'-P energy: -7.369
tors. eta vs tors. theta energy: -5.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -137.046196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.046196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.046196 (E_RNA)
where:
Base-Base interactions energy: -85.139
where: short stacking energy: -41.386
Base-Backbone interact. energy: -0.037
local terms energy: -51.870318
where:
bonds (distance) C4'-P energy: -11.282
bonds (distance) P-C4' energy: -10.295
flat angles C4'-P-C4' energy: -10.046
flat angles P-C4'-P energy: -7.146
tors. eta vs tors. theta energy: -13.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -122.966072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.966072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.966072 (E_RNA)
where:
Base-Base interactions energy: -76.722
where: short stacking energy: -30.298
Base-Backbone interact. energy: 0.208
local terms energy: -46.451627
where:
bonds (distance) C4'-P energy: -11.596
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -2.426
tors. eta vs tors. theta energy: -7.302
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: 6, replica: 4
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -80.140026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.140026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.140026 (E_RNA)
where:
Base-Base interactions energy: -45.096
where: short stacking energy: -14.175
Base-Backbone interact. energy: -0.093
local terms energy: -34.951463
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -11.252
flat angles C4'-P-C4' energy: -6.064
flat angles P-C4'-P energy: -5.601
tors. eta vs tors. theta energy: 0.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -64.402540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.402540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.402540 (E_RNA)
where:
Base-Base interactions energy: -27.598
where: short stacking energy: -16.353
Base-Backbone interact. energy: -0.230
local terms energy: -36.574610
where:
bonds (distance) C4'-P energy: -8.876
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -8.964
flat angles P-C4'-P energy: -4.875
tors. eta vs tors. theta energy: -0.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -68.542603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.542603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.542603 (E_RNA)
where:
Base-Base interactions energy: -35.152
where: short stacking energy: -23.941
Base-Backbone interact. energy: 0.349
local terms energy: -33.739056
where:
bonds (distance) C4'-P energy: -8.503
bonds (distance) P-C4' energy: -9.381
flat angles C4'-P-C4' energy: -8.880
flat angles P-C4'-P energy: -5.648
tors. eta vs tors. theta energy: -1.328
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: 9, replica: 9
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -66.033822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.033822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.033822 (E_RNA)
where:
Base-Base interactions energy: -30.512
where: short stacking energy: -19.469
Base-Backbone interact. energy: -0.107
local terms energy: -35.414614
where:
bonds (distance) C4'-P energy: -10.001
bonds (distance) P-C4' energy: -11.582
flat angles C4'-P-C4' energy: -9.305
flat angles P-C4'-P energy: 0.902
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: 10, replica: 1
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -59.369538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.369538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.369538 (E_RNA)
where:
Base-Base interactions energy: -30.955
where: short stacking energy: -17.163
Base-Backbone interact. energy: -0.100
local terms energy: -28.314402
where:
bonds (distance) C4'-P energy: -9.498
bonds (distance) P-C4' energy: -6.473
flat angles C4'-P-C4' energy: -6.158
flat angles P-C4'-P energy: -6.738
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: 1, replica: 7
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -158.316477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.316477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.316477 (E_RNA)
where:
Base-Base interactions energy: -99.944
where: short stacking energy: -42.746
Base-Backbone interact. energy: -0.055
local terms energy: -58.317822
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -10.183
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -13.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -147.921407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.921407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.921407 (E_RNA)
where:
Base-Base interactions energy: -92.069
where: short stacking energy: -31.772
Base-Backbone interact. energy: -0.117
local terms energy: -55.735834
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -10.452
flat angles P-C4'-P energy: -9.627
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: 3, replica: 6
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -134.822728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.822728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.822728 (E_RNA)
where:
Base-Base interactions energy: -84.155
where: short stacking energy: -30.074
Base-Backbone interact. energy: -0.222
local terms energy: -50.445844
where:
bonds (distance) C4'-P energy: -10.726
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -9.392
flat angles P-C4'-P energy: -7.548
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: 4, replica: 10
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -108.544592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.544592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.544592 (E_RNA)
where:
Base-Base interactions energy: -65.627
where: short stacking energy: -26.530
Base-Backbone interact. energy: -0.169
local terms energy: -42.747929
where:
bonds (distance) C4'-P energy: -6.053
bonds (distance) P-C4' energy: -11.604
flat angles C4'-P-C4' energy: -12.629
flat angles P-C4'-P energy: -3.669
tors. eta vs tors. theta energy: -8.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -94.962707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.962707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.962707 (E_RNA)
where:
Base-Base interactions energy: -54.875
where: short stacking energy: -16.580
Base-Backbone interact. energy: -0.258
local terms energy: -39.830046
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -8.428
flat angles C4'-P-C4' energy: -10.262
flat angles P-C4'-P energy: -6.948
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: 6, replica: 4
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -111.713627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.713627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.713627 (E_RNA)
where:
Base-Base interactions energy: -64.742
where: short stacking energy: -25.168
Base-Backbone interact. energy: 0.335
local terms energy: -47.306779
where:
bonds (distance) C4'-P energy: -11.087
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -11.926
flat angles P-C4'-P energy: -4.067
tors. eta vs tors. theta energy: -6.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -62.573207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.573207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.573207 (E_RNA)
where:
Base-Base interactions energy: -23.125
where: short stacking energy: -17.218
Base-Backbone interact. energy: -0.179
local terms energy: -39.269557
where:
bonds (distance) C4'-P energy: -9.236
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -10.907
flat angles P-C4'-P energy: -5.052
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: 8, replica: 3
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -58.004902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.004902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.004902 (E_RNA)
where:
Base-Base interactions energy: -26.872
where: short stacking energy: -7.784
Base-Backbone interact. energy: -0.438
local terms energy: -30.694571
where:
bonds (distance) C4'-P energy: -10.767
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -6.847
flat angles P-C4'-P energy: -0.892
tors. eta vs tors. theta energy: 0.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -53.127625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.127625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.127625 (E_RNA)
where:
Base-Base interactions energy: -15.681
where: short stacking energy: -15.681
Base-Backbone interact. energy: -0.184
local terms energy: -37.262857
where:
bonds (distance) C4'-P energy: -6.077
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -10.690
flat angles P-C4'-P energy: -4.565
tors. eta vs tors. theta energy: -3.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -64.309895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.309895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.309895 (E_RNA)
where:
Base-Base interactions energy: -32.505
where: short stacking energy: -10.348
Base-Backbone interact. energy: -0.590
local terms energy: -31.214724
where:
bonds (distance) C4'-P energy: -8.645
bonds (distance) P-C4' energy: -9.865
flat angles C4'-P-C4' energy: -0.939
flat angles P-C4'-P energy: -7.444
tors. eta vs tors. theta energy: -4.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -152.943443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.943443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.943443 (E_RNA)
where:
Base-Base interactions energy: -93.591
where: short stacking energy: -37.339
Base-Backbone interact. energy: -0.533
local terms energy: -58.820159
where:
bonds (distance) C4'-P energy: -12.453
bonds (distance) P-C4' energy: -8.573
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -14.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -147.013176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.013176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.013176 (E_RNA)
where:
Base-Base interactions energy: -89.505
where: short stacking energy: -43.620
Base-Backbone interact. energy: -0.001
local terms energy: -57.506806
where:
bonds (distance) C4'-P energy: -10.598
bonds (distance) P-C4' energy: -11.469
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -7.433
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: 3, replica: 8
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -144.016061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.016061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.016061 (E_RNA)
where:
Base-Base interactions energy: -95.644
where: short stacking energy: -42.526
Base-Backbone interact. energy: -0.260
local terms energy: -48.112304
where:
bonds (distance) C4'-P energy: -8.570
bonds (distance) P-C4' energy: -11.417
flat angles C4'-P-C4' energy: -8.232
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: -11.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -94.576381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.576381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.576381 (E_RNA)
where:
Base-Base interactions energy: -46.351
where: short stacking energy: -24.431
Base-Backbone interact. energy: -0.006
local terms energy: -48.219310
where:
bonds (distance) C4'-P energy: -11.294
bonds (distance) P-C4' energy: -9.845
flat angles C4'-P-C4' energy: -10.023
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -8.070
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: 10
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -96.325621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.325621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.325621 (E_RNA)
where:
Base-Base interactions energy: -50.715
where: short stacking energy: -30.132
Base-Backbone interact. energy: -0.407
local terms energy: -45.203864
where:
bonds (distance) C4'-P energy: -11.835
bonds (distance) P-C4' energy: -9.240
flat angles C4'-P-C4' energy: -10.092
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: -6.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -107.151790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.151790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.151790 (E_RNA)
where:
Base-Base interactions energy: -65.093
where: short stacking energy: -24.117
Base-Backbone interact. energy: -0.176
local terms energy: -41.882382
where:
bonds (distance) C4'-P energy: -13.343
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -6.306
flat angles P-C4'-P energy: -5.753
tors. eta vs tors. theta energy: -4.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -70.276956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.276956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.276956 (E_RNA)
where:
Base-Base interactions energy: -27.511
where: short stacking energy: -22.307
Base-Backbone interact. energy: -0.160
local terms energy: -42.605820
where:
bonds (distance) C4'-P energy: -10.387
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -5.829
tors. eta vs tors. theta energy: -1.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -60.244442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.244442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.244442 (E_RNA)
where:
Base-Base interactions energy: -23.958
where: short stacking energy: -15.259
Base-Backbone interact. energy: -0.114
local terms energy: -36.172635
where:
bonds (distance) C4'-P energy: -11.070
bonds (distance) P-C4' energy: -9.030
flat angles C4'-P-C4' energy: -10.681
flat angles P-C4'-P energy: -6.357
tors. eta vs tors. theta energy: 0.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -62.074732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.074732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.074732 (E_RNA)
where:
Base-Base interactions energy: -25.249
where: short stacking energy: -16.191
Base-Backbone interact. energy: -0.036
local terms energy: -36.789948
where:
bonds (distance) C4'-P energy: -10.074
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -10.482
flat angles P-C4'-P energy: -1.200
tors. eta vs tors. theta energy: -1.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -66.963908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.963908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.963908 (E_RNA)
where:
Base-Base interactions energy: -23.428
where: short stacking energy: -14.531
Base-Backbone interact. energy: -0.010
local terms energy: -43.525895
where:
bonds (distance) C4'-P energy: -11.169
bonds (distance) P-C4' energy: -8.412
flat angles C4'-P-C4' energy: -11.319
flat angles P-C4'-P energy: -7.545
tors. eta vs tors. theta energy: -5.082
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: 7
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -162.260456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.260456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.260456 (E_RNA)
where:
Base-Base interactions energy: -106.146
where: short stacking energy: -38.139
Base-Backbone interact. energy: 0.631
local terms energy: -56.745363
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -6.554
tors. eta vs tors. theta energy: -10.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -140.600180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.600180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.600180 (E_RNA)
where:
Base-Base interactions energy: -90.052
where: short stacking energy: -43.236
Base-Backbone interact. energy: -0.095
local terms energy: -50.452976
where:
bonds (distance) C4'-P energy: -5.797
bonds (distance) P-C4' energy: -11.060
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: -11.745
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: 3, replica: 8
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -142.070958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.070958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.070958 (E_RNA)
where:
Base-Base interactions energy: -87.139
where: short stacking energy: -29.993
Base-Backbone interact. energy: -0.006
local terms energy: -54.926151
where:
bonds (distance) C4'-P energy: -11.227
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -9.005
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: 5
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -84.617572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.617572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.617572 (E_RNA)
where:
Base-Base interactions energy: -33.099
where: short stacking energy: -29.690
Base-Backbone interact. energy: -1.427
local terms energy: -50.091629
where:
bonds (distance) C4'-P energy: -11.273
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -9.582
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: -8.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -85.709022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.709022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.709022 (E_RNA)
where:
Base-Base interactions energy: -40.273
where: short stacking energy: -31.110
Base-Backbone interact. energy: -0.087
local terms energy: -45.349747
where:
bonds (distance) C4'-P energy: -8.404
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -10.783
flat angles P-C4'-P energy: -6.306
tors. eta vs tors. theta energy: -6.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -82.122509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.122509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.122509 (E_RNA)
where:
Base-Base interactions energy: -38.026
where: short stacking energy: -29.647
Base-Backbone interact. energy: -0.071
local terms energy: -44.025940
where:
bonds (distance) C4'-P energy: -8.538
bonds (distance) P-C4' energy: -10.992
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -6.318
tors. eta vs tors. theta energy: -4.964
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: 9
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -72.265375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.265375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.265375 (E_RNA)
where:
Base-Base interactions energy: -29.521
where: short stacking energy: -25.660
Base-Backbone interact. energy: -1.318
local terms energy: -41.425975
where:
bonds (distance) C4'-P energy: -11.708
bonds (distance) P-C4' energy: -7.970
flat angles C4'-P-C4' energy: -10.320
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -1.685
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: 2
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -54.459743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.459743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.459743 (E_RNA)
where:
Base-Base interactions energy: -20.495
where: short stacking energy: -13.808
Base-Backbone interact. energy: -0.334
local terms energy: -33.630175
where:
bonds (distance) C4'-P energy: -12.510
bonds (distance) P-C4' energy: -11.930
flat angles C4'-P-C4' energy: -4.165
flat angles P-C4'-P energy: -5.744
tors. eta vs tors. theta energy: 0.719
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: 1
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -56.373873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.373873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.373873 (E_RNA)
where:
Base-Base interactions energy: -20.875
where: short stacking energy: -16.597
Base-Backbone interact. energy: 0.149
local terms energy: -35.648219
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -9.479
flat angles C4'-P-C4' energy: -9.538
flat angles P-C4'-P energy: -7.477
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: 10, replica: 3
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -48.288904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.288904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.288904 (E_RNA)
where:
Base-Base interactions energy: -10.170
where: short stacking energy: -8.748
Base-Backbone interact. energy: -0.130
local terms energy: -37.989206
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -2.278
tors. eta vs tors. theta energy: 1.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -156.962069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.962069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.962069 (E_RNA)
where:
Base-Base interactions energy: -102.880
where: short stacking energy: -39.927
Base-Backbone interact. energy: -0.343
local terms energy: -53.738752
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -10.865
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -6.836
tors. eta vs tors. theta energy: -10.979
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: 8
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -149.716049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.716049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.716049 (E_RNA)
where:
Base-Base interactions energy: -95.253
where: short stacking energy: -38.762
Base-Backbone interact. energy: -0.001
local terms energy: -54.461857
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -11.350
flat angles C4'-P-C4' energy: -11.889
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -10.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -140.813991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.813991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.813991 (E_RNA)
where:
Base-Base interactions energy: -85.437
where: short stacking energy: -36.683
Base-Backbone interact. energy: -0.039
local terms energy: -55.338352
where:
bonds (distance) C4'-P energy: -12.929
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -10.832
flat angles P-C4'-P energy: -7.477
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: 4, replica: 4
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -145.356242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.356242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.356242 (E_RNA)
where:
Base-Base interactions energy: -88.154
where: short stacking energy: -36.852
Base-Backbone interact. energy: -0.001
local terms energy: -57.201271
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -10.880
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -7.841
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: 5, replica: 5
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -76.372469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.372469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.372469 (E_RNA)
where:
Base-Base interactions energy: -27.511
where: short stacking energy: -27.511
Base-Backbone interact. energy: -0.004
local terms energy: -48.857628
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -10.715
flat angles C4'-P-C4' energy: -11.091
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -6.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -65.433715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.433715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.433715 (E_RNA)
where:
Base-Base interactions energy: -28.443
where: short stacking energy: -18.647
Base-Backbone interact. energy: -0.076
local terms energy: -36.914732
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -7.523
flat angles C4'-P-C4' energy: -8.530
flat angles P-C4'-P energy: -7.028
tors. eta vs tors. theta energy: -0.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -83.641267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.641267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.641267 (E_RNA)
where:
Base-Base interactions energy: -40.569
where: short stacking energy: -25.155
Base-Backbone interact. energy: 0.010
local terms energy: -43.082581
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -7.673
flat angles C4'-P-C4' energy: -11.105
flat angles P-C4'-P energy: -5.043
tors. eta vs tors. theta energy: -8.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -64.269480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.269480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.269480 (E_RNA)
where:
Base-Base interactions energy: -26.983
where: short stacking energy: -10.300
Base-Backbone interact. energy: -0.055
local terms energy: -37.231420
where:
bonds (distance) C4'-P energy: -11.061
bonds (distance) P-C4' energy: -14.488
flat angles C4'-P-C4' energy: -6.064
flat angles P-C4'-P energy: -4.034
tors. eta vs tors. theta energy: -1.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -61.715149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.715149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.715149 (E_RNA)
where:
Base-Base interactions energy: -27.100
where: short stacking energy: -27.100
Base-Backbone interact. energy: -0.102
local terms energy: -34.512681
where:
bonds (distance) C4'-P energy: -3.441
bonds (distance) P-C4' energy: -11.815
flat angles C4'-P-C4' energy: -7.646
flat angles P-C4'-P energy: -4.860
tors. eta vs tors. theta energy: -6.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -60.257015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.257015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.257015 (E_RNA)
where:
Base-Base interactions energy: -15.110
where: short stacking energy: -15.110
Base-Backbone interact. energy: -1.048
local terms energy: -44.098539
where:
bonds (distance) C4'-P energy: -9.053
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -6.683
tors. eta vs tors. theta energy: -3.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -156.026926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.026926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.026926 (E_RNA)
where:
Base-Base interactions energy: -105.137
where: short stacking energy: -39.349
Base-Backbone interact. energy: -0.004
local terms energy: -50.885799
where:
bonds (distance) C4'-P energy: -11.421
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -9.636
flat angles P-C4'-P energy: -6.770
tors. eta vs tors. theta energy: -10.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -144.396328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.396328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.396328 (E_RNA)
where:
Base-Base interactions energy: -89.817
where: short stacking energy: -31.749
Base-Backbone interact. energy: -0.163
local terms energy: -54.416382
where:
bonds (distance) C4'-P energy: -13.256
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -4.751
tors. eta vs tors. theta energy: -9.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -145.822828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.822828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.822828 (E_RNA)
where:
Base-Base interactions energy: -89.330
where: short stacking energy: -41.360
Base-Backbone interact. energy: -0.002
local terms energy: -56.491270
where:
bonds (distance) C4'-P energy: -12.255
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -11.029
flat angles P-C4'-P energy: -6.729
tors. eta vs tors. theta energy: -11.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -146.401478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.401478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.401478 (E_RNA)
where:
Base-Base interactions energy: -100.353
where: short stacking energy: -33.604
Base-Backbone interact. energy: -0.008
local terms energy: -46.039907
where:
bonds (distance) C4'-P energy: -9.124
bonds (distance) P-C4' energy: -9.789
flat angles C4'-P-C4' energy: -7.923
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -11.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -76.339568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.339568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.339568 (E_RNA)
where:
Base-Base interactions energy: -34.390
where: short stacking energy: -29.037
Base-Backbone interact. energy: -0.013
local terms energy: -41.937212
where:
bonds (distance) C4'-P energy: -11.737
bonds (distance) P-C4' energy: -10.299
flat angles C4'-P-C4' energy: -10.055
flat angles P-C4'-P energy: -4.620
tors. eta vs tors. theta energy: -5.227
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: 34
Temperature: 1.150000
Total energy: -70.548405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.548405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.548405 (E_RNA)
where:
Base-Base interactions energy: -23.149
where: short stacking energy: -16.786
Base-Backbone interact. energy: -1.071
local terms energy: -46.327997
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -11.612
flat angles P-C4'-P energy: -6.778
tors. eta vs tors. theta energy: -4.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -76.215519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.215519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.215519 (E_RNA)
where:
Base-Base interactions energy: -41.519
where: short stacking energy: -11.716
Base-Backbone interact. energy: -0.141
local terms energy: -34.555650
where:
bonds (distance) C4'-P energy: -11.418
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -7.324
flat angles P-C4'-P energy: -4.311
tors. eta vs tors. theta energy: 1.265
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: 34
Temperature: 1.250000
Total energy: -69.580186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.580186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.580186 (E_RNA)
where:
Base-Base interactions energy: -27.129
where: short stacking energy: -26.311
Base-Backbone interact. energy: 0.190
local terms energy: -42.640716
where:
bonds (distance) C4'-P energy: -8.901
bonds (distance) P-C4' energy: -10.389
flat angles C4'-P-C4' energy: -10.780
flat angles P-C4'-P energy: -4.663
tors. eta vs tors. theta energy: -7.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -63.496009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.496009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.496009 (E_RNA)
where:
Base-Base interactions energy: -25.247
where: short stacking energy: -15.871
Base-Backbone interact. energy: -0.141
local terms energy: -38.108173
where:
bonds (distance) C4'-P energy: -13.397
bonds (distance) P-C4' energy: -10.863
flat angles C4'-P-C4' energy: -11.224
flat angles P-C4'-P energy: -2.592
tors. eta vs tors. theta energy: -0.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -55.443630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.443630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.443630 (E_RNA)
where:
Base-Base interactions energy: -8.926
where: short stacking energy: -8.926
Base-Backbone interact. energy: -0.081
local terms energy: -46.436458
where:
bonds (distance) C4'-P energy: -11.840
bonds (distance) P-C4' energy: -11.504
flat angles C4'-P-C4' energy: -11.217
flat angles P-C4'-P energy: -5.609
tors. eta vs tors. theta energy: -6.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -154.279184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.279184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.279184 (E_RNA)
where:
Base-Base interactions energy: -100.087
where: short stacking energy: -45.899
Base-Backbone interact. energy: -0.041
local terms energy: -54.151178
where:
bonds (distance) C4'-P energy: -10.822
bonds (distance) P-C4' energy: -10.470
flat angles C4'-P-C4' energy: -10.872
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -12.029
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: 8
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -159.968481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.968481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.968481 (E_RNA)
where:
Base-Base interactions energy: -104.009
where: short stacking energy: -41.216
Base-Backbone interact. energy: -0.106
local terms energy: -55.852999
where:
bonds (distance) C4'-P energy: -13.786
bonds (distance) P-C4' energy: -11.608
flat angles C4'-P-C4' energy: -10.662
flat angles P-C4'-P energy: -8.321
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: 3, replica: 4
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -154.078957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.078957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.078957 (E_RNA)
where:
Base-Base interactions energy: -102.652
where: short stacking energy: -40.981
Base-Backbone interact. energy: -0.230
local terms energy: -51.197132
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -1.638
tors. eta vs tors. theta energy: -12.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -140.749612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.749612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.749612 (E_RNA)
where:
Base-Base interactions energy: -84.592
where: short stacking energy: -37.342
Base-Backbone interact. energy: -0.004
local terms energy: -56.152710
where:
bonds (distance) C4'-P energy: -11.141
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -10.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -74.844674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.844674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.844674 (E_RNA)
where:
Base-Base interactions energy: -24.321
where: short stacking energy: -24.321
Base-Backbone interact. energy: -0.051
local terms energy: -50.472419
where:
bonds (distance) C4'-P energy: -10.661
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -4.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -93.524343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.524343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.524343 (E_RNA)
where:
Base-Base interactions energy: -64.486
where: short stacking energy: -17.111
Base-Backbone interact. energy: -0.186
local terms energy: -28.852192
where:
bonds (distance) C4'-P energy: -9.790
bonds (distance) P-C4' energy: -10.569
flat angles C4'-P-C4' energy: -5.758
flat angles P-C4'-P energy: -1.744
tors. eta vs tors. theta energy: -0.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -64.071248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.071248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.071248 (E_RNA)
where:
Base-Base interactions energy: -24.545
where: short stacking energy: -21.775
Base-Backbone interact. energy: 0.839
local terms energy: -40.364713
where:
bonds (distance) C4'-P energy: -7.776
bonds (distance) P-C4' energy: -7.626
flat angles C4'-P-C4' energy: -11.747
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -4.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -53.955887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.955887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.955887 (E_RNA)
where:
Base-Base interactions energy: -14.853
where: short stacking energy: -7.491
Base-Backbone interact. energy: 0.679
local terms energy: -39.782185
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -9.292
flat angles P-C4'-P energy: -7.285
tors. eta vs tors. theta energy: -0.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -60.377196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.377196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.377196 (E_RNA)
where:
Base-Base interactions energy: -19.061
where: short stacking energy: -13.320
Base-Backbone interact. energy: -0.090
local terms energy: -41.226637
where:
bonds (distance) C4'-P energy: -11.166
bonds (distance) P-C4' energy: -10.802
flat angles C4'-P-C4' energy: -11.725
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: 0.949
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: 2
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -62.803375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.803375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.803375 (E_RNA)
where:
Base-Base interactions energy: -25.173
where: short stacking energy: -25.173
Base-Backbone interact. energy: 2.314
local terms energy: -39.944674
where:
bonds (distance) C4'-P energy: -9.349
bonds (distance) P-C4' energy: -9.982
flat angles C4'-P-C4' energy: -10.665
flat angles P-C4'-P energy: -3.006
tors. eta vs tors. theta energy: -6.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -154.175790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.175790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.175790 (E_RNA)
where:
Base-Base interactions energy: -109.087
where: short stacking energy: -37.593
Base-Backbone interact. energy: -0.036
local terms energy: -45.052637
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -8.988
flat angles C4'-P-C4' energy: -10.881
flat angles P-C4'-P energy: -4.461
tors. eta vs tors. theta energy: -9.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -154.027591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.027591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.027591 (E_RNA)
where:
Base-Base interactions energy: -102.338
where: short stacking energy: -37.002
Base-Backbone interact. energy: -0.076
local terms energy: -51.612996
where:
bonds (distance) C4'-P energy: -10.946
bonds (distance) P-C4' energy: -11.198
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -3.120
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: 3, replica: 4
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -151.074170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.074170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.074170 (E_RNA)
where:
Base-Base interactions energy: -98.141
where: short stacking energy: -37.313
Base-Backbone interact. energy: -0.069
local terms energy: -52.864331
where:
bonds (distance) C4'-P energy: -8.881
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -6.135
tors. eta vs tors. theta energy: -12.127
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: 6
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -141.349587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.349587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.349587 (E_RNA)
where:
Base-Base interactions energy: -94.667
where: short stacking energy: -32.276
Base-Backbone interact. energy: -0.720
local terms energy: -45.962694
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -3.831
tors. eta vs tors. theta energy: -5.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -121.565482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.565482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.565482 (E_RNA)
where:
Base-Base interactions energy: -79.667
where: short stacking energy: -31.435
Base-Backbone interact. energy: -0.112
local terms energy: -41.786789
where:
bonds (distance) C4'-P energy: -13.094
bonds (distance) P-C4' energy: -10.683
flat angles C4'-P-C4' energy: -7.982
flat angles P-C4'-P energy: -6.004
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: 6, replica: 9
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -75.337301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.337301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.337301 (E_RNA)
where:
Base-Base interactions energy: -34.375
where: short stacking energy: -13.390
Base-Backbone interact. energy: -0.226
local terms energy: -40.736507
where:
bonds (distance) C4'-P energy: -9.279
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -11.150
flat angles P-C4'-P energy: -7.078
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: 7, replica: 3
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -73.597009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.597009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.597009 (E_RNA)
where:
Base-Base interactions energy: -40.266
where: short stacking energy: -10.769
Base-Backbone interact. energy: -0.246
local terms energy: -33.084967
where:
bonds (distance) C4'-P energy: -11.468
bonds (distance) P-C4' energy: -8.848
flat angles C4'-P-C4' energy: -8.396
flat angles P-C4'-P energy: -5.831
tors. eta vs tors. theta energy: 1.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -83.693403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.693403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.693403 (E_RNA)
where:
Base-Base interactions energy: -37.250
where: short stacking energy: -15.492
Base-Backbone interact. energy: -0.180
local terms energy: -46.264149
where:
bonds (distance) C4'-P energy: -11.237
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -11.328
flat angles P-C4'-P energy: -6.434
tors. eta vs tors. theta energy: -3.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -59.352274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.352274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.352274 (E_RNA)
where:
Base-Base interactions energy: -16.788
where: short stacking energy: -9.107
Base-Backbone interact. energy: -0.324
local terms energy: -42.240256
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -9.926
flat angles C4'-P-C4' energy: -8.622
flat angles P-C4'-P energy: -5.191
tors. eta vs tors. theta energy: -5.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -60.056966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.056966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.056966 (E_RNA)
where:
Base-Base interactions energy: -20.784
where: short stacking energy: -8.693
Base-Backbone interact. energy: -0.014
local terms energy: -39.259400
where:
bonds (distance) C4'-P energy: -9.676
bonds (distance) P-C4' energy: -9.707
flat angles C4'-P-C4' energy: -9.267
flat angles P-C4'-P energy: -6.255
tors. eta vs tors. theta energy: -4.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -153.287725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.287725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.287725 (E_RNA)
where:
Base-Base interactions energy: -101.094
where: short stacking energy: -39.150
Base-Backbone interact. energy: -0.012
local terms energy: -52.182061
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -7.662
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: -9.806
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: 8
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -145.426521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.426521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.426521 (E_RNA)
where:
Base-Base interactions energy: -87.773
where: short stacking energy: -35.242
Base-Backbone interact. energy: -0.036
local terms energy: -57.617303
where:
bonds (distance) C4'-P energy: -10.846
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -5.994
tors. eta vs tors. theta energy: -14.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -140.700794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.700794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.700794 (E_RNA)
where:
Base-Base interactions energy: -87.526
where: short stacking energy: -43.808
Base-Backbone interact. energy: -0.104
local terms energy: -53.070721
where:
bonds (distance) C4'-P energy: -10.822
bonds (distance) P-C4' energy: -10.900
flat angles C4'-P-C4' energy: -7.344
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -16.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -122.917400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.917400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.917400 (E_RNA)
where:
Base-Base interactions energy: -79.170
where: short stacking energy: -26.760
Base-Backbone interact. energy: -0.511
local terms energy: -43.236952
where:
bonds (distance) C4'-P energy: -10.751
bonds (distance) P-C4' energy: -9.121
flat angles C4'-P-C4' energy: -10.911
flat angles P-C4'-P energy: -5.067
tors. eta vs tors. theta energy: -7.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -133.216858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.216858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.216858 (E_RNA)
where:
Base-Base interactions energy: -91.364
where: short stacking energy: -33.211
Base-Backbone interact. energy: 1.714
local terms energy: -43.566565
where:
bonds (distance) C4'-P energy: -10.743
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -8.270
flat angles P-C4'-P energy: -3.847
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: 6, replica: 3
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -67.744855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.744855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.744855 (E_RNA)
where:
Base-Base interactions energy: -21.957
where: short stacking energy: -14.167
Base-Backbone interact. energy: -0.125
local terms energy: -45.662255
where:
bonds (distance) C4'-P energy: -11.071
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -8.247
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -3.033
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: 7, replica: 9
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -64.429001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.429001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.429001 (E_RNA)
where:
Base-Base interactions energy: -25.408
where: short stacking energy: -16.462
Base-Backbone interact. energy: -0.161
local terms energy: -38.859703
where:
bonds (distance) C4'-P energy: -10.317
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -9.243
flat angles P-C4'-P energy: -3.633
tors. eta vs tors. theta energy: -3.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -68.424236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.424236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.424236 (E_RNA)
where:
Base-Base interactions energy: -33.353
where: short stacking energy: -21.228
Base-Backbone interact. energy: 0.603
local terms energy: -35.673823
where:
bonds (distance) C4'-P energy: -7.786
bonds (distance) P-C4' energy: -10.843
flat angles C4'-P-C4' energy: -8.764
flat angles P-C4'-P energy: -8.014
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: 9, replica: 5
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -68.523945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.523945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.523945 (E_RNA)
where:
Base-Base interactions energy: -26.103
where: short stacking energy: -10.487
Base-Backbone interact. energy: -0.522
local terms energy: -41.898797
where:
bonds (distance) C4'-P energy: -10.991
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -11.375
flat angles P-C4'-P energy: -5.974
tors. eta vs tors. theta energy: -0.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -69.591224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.591224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.591224 (E_RNA)
where:
Base-Base interactions energy: -42.302
where: short stacking energy: -17.337
Base-Backbone interact. energy: -0.244
local terms energy: -27.044785
where:
bonds (distance) C4'-P energy: -4.917
bonds (distance) P-C4' energy: -9.461
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: 0.202
tors. eta vs tors. theta energy: -0.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -158.103070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.103070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.103070 (E_RNA)
where:
Base-Base interactions energy: -95.804
where: short stacking energy: -34.249
Base-Backbone interact. energy: -0.009
local terms energy: -62.290393
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -10.822
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -12.000
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: 7
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -149.943296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.943296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.943296 (E_RNA)
where:
Base-Base interactions energy: -101.683
where: short stacking energy: -44.107
Base-Backbone interact. energy: -0.003
local terms energy: -48.257756
where:
bonds (distance) C4'-P energy: -9.762
bonds (distance) P-C4' energy: -10.302
flat angles C4'-P-C4' energy: -11.021
flat angles P-C4'-P energy: -5.487
tors. eta vs tors. theta energy: -11.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -143.338217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.338217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.338217 (E_RNA)
where:
Base-Base interactions energy: -86.305
where: short stacking energy: -37.778
Base-Backbone interact. energy: -0.112
local terms energy: -56.920985
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -12.141
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -11.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -121.508936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.508936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.508936 (E_RNA)
where:
Base-Base interactions energy: -81.685
where: short stacking energy: -30.955
Base-Backbone interact. energy: -0.243
local terms energy: -39.581098
where:
bonds (distance) C4'-P energy: -10.366
bonds (distance) P-C4' energy: -8.092
flat angles C4'-P-C4' energy: -10.556
flat angles P-C4'-P energy: -4.515
tors. eta vs tors. theta energy: -6.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -128.203465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.203465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.203465 (E_RNA)
where:
Base-Base interactions energy: -78.881
where: short stacking energy: -36.270
Base-Backbone interact. energy: -0.053
local terms energy: -49.270080
where:
bonds (distance) C4'-P energy: -9.895
bonds (distance) P-C4' energy: -8.376
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -6.324
tors. eta vs tors. theta energy: -11.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -64.798022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.798022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.798022 (E_RNA)
where:
Base-Base interactions energy: -21.298
where: short stacking energy: -18.624
Base-Backbone interact. energy: -0.020
local terms energy: -43.480742
where:
bonds (distance) C4'-P energy: -11.124
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -7.883
flat angles P-C4'-P energy: -6.073
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: 7, replica: 2
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -68.409718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.409718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.409718 (E_RNA)
where:
Base-Base interactions energy: -20.516
where: short stacking energy: -15.848
Base-Backbone interact. energy: -1.718
local terms energy: -46.176198
where:
bonds (distance) C4'-P energy: -9.969
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -6.886
tors. eta vs tors. theta energy: -3.334
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: 9
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -62.380019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.380019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.380019 (E_RNA)
where:
Base-Base interactions energy: -19.945
where: short stacking energy: -14.304
Base-Backbone interact. energy: -1.038
local terms energy: -41.396777
where:
bonds (distance) C4'-P energy: -8.339
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -11.404
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -1.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -62.869023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.869023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.869023 (E_RNA)
where:
Base-Base interactions energy: -22.525
where: short stacking energy: -8.123
Base-Backbone interact. energy: -0.152
local terms energy: -40.192849
where:
bonds (distance) C4'-P energy: -11.137
bonds (distance) P-C4' energy: -9.062
flat angles C4'-P-C4' energy: -12.345
flat angles P-C4'-P energy: -6.336
tors. eta vs tors. theta energy: -1.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -54.890529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.890529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.890529 (E_RNA)
where:
Base-Base interactions energy: -9.009
where: short stacking energy: -9.009
Base-Backbone interact. energy: 1.140
local terms energy: -47.021782
where:
bonds (distance) C4'-P energy: -11.045
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -8.160
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: 1, replica: 8
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -153.793387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.793387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.793387 (E_RNA)
where:
Base-Base interactions energy: -98.270
where: short stacking energy: -37.822
Base-Backbone interact. energy: -0.000
local terms energy: -55.523426
where:
bonds (distance) C4'-P energy: -11.091
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -11.366
flat angles P-C4'-P energy: -5.122
tors. eta vs tors. theta energy: -14.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -137.734645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.734645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.734645 (E_RNA)
where:
Base-Base interactions energy: -85.380
where: short stacking energy: -33.030
Base-Backbone interact. energy: -0.084
local terms energy: -52.270771
where:
bonds (distance) C4'-P energy: -10.267
bonds (distance) P-C4' energy: -13.802
flat angles C4'-P-C4' energy: -10.209
flat angles P-C4'-P energy: -6.462
tors. eta vs tors. theta energy: -11.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -140.819008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.819008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.819008 (E_RNA)
where:
Base-Base interactions energy: -88.929
where: short stacking energy: -36.589
Base-Backbone interact. energy: -1.074
local terms energy: -50.815723
where:
bonds (distance) C4'-P energy: -8.938
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -10.556
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -10.622
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: 6
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -150.196079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.196079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.196079 (E_RNA)
where:
Base-Base interactions energy: -107.285
where: short stacking energy: -27.770
Base-Backbone interact. energy: -0.056
local terms energy: -42.855519
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -10.735
flat angles C4'-P-C4' energy: -4.912
flat angles P-C4'-P energy: -8.022
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: 5, replica: 1
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -119.790704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.790704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.790704 (E_RNA)
where:
Base-Base interactions energy: -68.113
where: short stacking energy: -36.666
Base-Backbone interact. energy: -0.033
local terms energy: -51.644774
where:
bonds (distance) C4'-P energy: -10.209
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -10.149
flat angles P-C4'-P energy: -5.449
tors. eta vs tors. theta energy: -11.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -74.456470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.456470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.456470 (E_RNA)
where:
Base-Base interactions energy: -27.795
where: short stacking energy: -25.190
Base-Backbone interact. energy: -0.035
local terms energy: -46.625820
where:
bonds (distance) C4'-P energy: -7.274
bonds (distance) P-C4' energy: -11.637
flat angles C4'-P-C4' energy: -13.586
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -6.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -68.931406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.931406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.931406 (E_RNA)
where:
Base-Base interactions energy: -27.993
where: short stacking energy: -21.939
Base-Backbone interact. energy: 0.294
local terms energy: -41.232637
where:
bonds (distance) C4'-P energy: -7.899
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -6.379
tors. eta vs tors. theta energy: -2.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -84.626349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.626349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.626349 (E_RNA)
where:
Base-Base interactions energy: -58.098
where: short stacking energy: -15.550
Base-Backbone interact. energy: -0.156
local terms energy: -26.372832
where:
bonds (distance) C4'-P energy: -6.398
bonds (distance) P-C4' energy: -10.879
flat angles C4'-P-C4' energy: 0.317
flat angles P-C4'-P energy: -4.975
tors. eta vs tors. theta energy: -4.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -61.033135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.033135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.033135 (E_RNA)
where:
Base-Base interactions energy: -20.384
where: short stacking energy: -15.869
Base-Backbone interact. energy: -0.268
local terms energy: -40.380874
where:
bonds (distance) C4'-P energy: -10.797
bonds (distance) P-C4' energy: -9.362
flat angles C4'-P-C4' energy: -8.294
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -4.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -61.600586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.600586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.600586 (E_RNA)
where:
Base-Base interactions energy: -20.413
where: short stacking energy: -20.413
Base-Backbone interact. energy: -0.129
local terms energy: -41.057926
where:
bonds (distance) C4'-P energy: -9.799
bonds (distance) P-C4' energy: -11.634
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -2.945
tors. eta vs tors. theta energy: -4.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -152.377459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.377459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.377459 (E_RNA)
where:
Base-Base interactions energy: -97.043
where: short stacking energy: -31.489
Base-Backbone interact. energy: -0.367
local terms energy: -54.967618
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -11.634
flat angles C4'-P-C4' energy: -12.000
flat angles P-C4'-P energy: -8.289
tors. eta vs tors. theta energy: -9.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -152.375646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.375646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.375646 (E_RNA)
where:
Base-Base interactions energy: -105.227
where: short stacking energy: -40.734
Base-Backbone interact. energy: -0.002
local terms energy: -47.146767
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -1.557
tors. eta vs tors. theta energy: -9.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -150.808486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.808486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.808486 (E_RNA)
where:
Base-Base interactions energy: -108.086
where: short stacking energy: -45.060
Base-Backbone interact. energy: -0.165
local terms energy: -42.557095
where:
bonds (distance) C4'-P energy: -7.461
bonds (distance) P-C4' energy: -9.541
flat angles C4'-P-C4' energy: -9.680
flat angles P-C4'-P energy: -2.805
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: 4, replica: 7
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -134.816677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.816677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.816677 (E_RNA)
where:
Base-Base interactions energy: -98.486
where: short stacking energy: -22.404
Base-Backbone interact. energy: -0.043
local terms energy: -36.287379
where:
bonds (distance) C4'-P energy: -7.514
bonds (distance) P-C4' energy: -12.264
flat angles C4'-P-C4' energy: -10.850
flat angles P-C4'-P energy: -3.361
tors. eta vs tors. theta energy: -2.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -105.249097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.249097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.249097 (E_RNA)
where:
Base-Base interactions energy: -62.366
where: short stacking energy: -23.502
Base-Backbone interact. energy: 2.477
local terms energy: -45.360095
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -10.292
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -8.103
tors. eta vs tors. theta energy: -0.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -79.528231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.528231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.528231 (E_RNA)
where:
Base-Base interactions energy: -40.444
where: short stacking energy: -17.055
Base-Backbone interact. energy: -1.655
local terms energy: -37.429411
where:
bonds (distance) C4'-P energy: -5.875
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -8.960
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: 0.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -93.888431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.888431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.888431 (E_RNA)
where:
Base-Base interactions energy: -49.388
where: short stacking energy: -28.210
Base-Backbone interact. energy: 0.671
local terms energy: -45.171820
where:
bonds (distance) C4'-P energy: -10.769
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -8.303
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -6.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -77.330827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.330827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.330827 (E_RNA)
where:
Base-Base interactions energy: -37.282
where: short stacking energy: -13.206
Base-Backbone interact. energy: -0.046
local terms energy: -40.003252
where:
bonds (distance) C4'-P energy: -11.356
bonds (distance) P-C4' energy: -6.037
flat angles C4'-P-C4' energy: -10.809
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -3.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -57.628328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.628328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.628328 (E_RNA)
where:
Base-Base interactions energy: -21.428
where: short stacking energy: -17.417
Base-Backbone interact. energy: -0.075
local terms energy: -36.124974
where:
bonds (distance) C4'-P energy: -6.892
bonds (distance) P-C4' energy: -11.663
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -6.061
tors. eta vs tors. theta energy: 0.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -60.555112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.555112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.555112 (E_RNA)
where:
Base-Base interactions energy: -29.891
where: short stacking energy: -17.548
Base-Backbone interact. energy: -0.447
local terms energy: -30.217054
where:
bonds (distance) C4'-P energy: -7.220
bonds (distance) P-C4' energy: -11.914
flat angles C4'-P-C4' energy: -4.456
flat angles P-C4'-P energy: -4.027
tors. eta vs tors. theta energy: -2.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -145.026284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.026284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.026284 (E_RNA)
where:
Base-Base interactions energy: -89.704
where: short stacking energy: -39.526
Base-Backbone interact. energy: -0.099
local terms energy: -55.223705
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -8.711
flat angles C4'-P-C4' energy: -12.451
flat angles P-C4'-P energy: -7.086
tors. eta vs tors. theta energy: -14.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -150.901559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.901559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.901559 (E_RNA)
where:
Base-Base interactions energy: -97.774
where: short stacking energy: -45.142
Base-Backbone interact. energy: -0.711
local terms energy: -52.416638
where:
bonds (distance) C4'-P energy: -10.660
bonds (distance) P-C4' energy: -9.735
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -10.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -138.035641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.035641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.035641 (E_RNA)
where:
Base-Base interactions energy: -88.993
where: short stacking energy: -27.655
Base-Backbone interact. energy: -0.118
local terms energy: -48.924543
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -6.028
flat angles P-C4'-P energy: -7.826
tors. eta vs tors. theta energy: -9.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -130.282805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.282805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.282805 (E_RNA)
where:
Base-Base interactions energy: -96.902
where: short stacking energy: -26.892
Base-Backbone interact. energy: -0.017
local terms energy: -33.364224
where:
bonds (distance) C4'-P energy: -9.970
bonds (distance) P-C4' energy: -6.478
flat angles C4'-P-C4' energy: -6.706
flat angles P-C4'-P energy: -3.799
tors. eta vs tors. theta energy: -6.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -90.164418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.164418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.164418 (E_RNA)
where:
Base-Base interactions energy: -48.398
where: short stacking energy: -19.836
Base-Backbone interact. energy: -0.020
local terms energy: -41.746126
where:
bonds (distance) C4'-P energy: -12.159
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -8.671
flat angles P-C4'-P energy: -3.988
tors. eta vs tors. theta energy: -4.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -135.808843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.808843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.808843 (E_RNA)
where:
Base-Base interactions energy: -81.335
where: short stacking energy: -33.949
Base-Backbone interact. energy: -0.057
local terms energy: -54.417600
where:
bonds (distance) C4'-P energy: -13.078
bonds (distance) P-C4' energy: -10.615
flat angles C4'-P-C4' energy: -11.079
flat angles P-C4'-P energy: -7.546
tors. eta vs tors. theta energy: -12.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -67.433959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.433959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.433959 (E_RNA)
where:
Base-Base interactions energy: -20.119
where: short stacking energy: -20.119
Base-Backbone interact. energy: -0.014
local terms energy: -47.300866
where:
bonds (distance) C4'-P energy: -11.666
bonds (distance) P-C4' energy: -14.897
flat angles C4'-P-C4' energy: -9.188
flat angles P-C4'-P energy: -6.794
tors. eta vs tors. theta energy: -4.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -74.961750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.961750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.961750 (E_RNA)
where:
Base-Base interactions energy: -27.014
where: short stacking energy: -27.014
Base-Backbone interact. energy: 2.128
local terms energy: -50.075978
where:
bonds (distance) C4'-P energy: -10.831
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -10.647
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -6.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -58.161024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.161024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.161024 (E_RNA)
where:
Base-Base interactions energy: -18.610
where: short stacking energy: -16.378
Base-Backbone interact. energy: -1.167
local terms energy: -38.383451
where:
bonds (distance) C4'-P energy: -10.942
bonds (distance) P-C4' energy: -11.736
flat angles C4'-P-C4' energy: -6.473
flat angles P-C4'-P energy: -7.184
tors. eta vs tors. theta energy: -2.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -64.403560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.403560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.403560 (E_RNA)
where:
Base-Base interactions energy: -27.237
where: short stacking energy: -17.593
Base-Backbone interact. energy: -0.010
local terms energy: -37.156762
where:
bonds (distance) C4'-P energy: -10.615
bonds (distance) P-C4' energy: -10.073
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -6.552
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: 8
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -151.227389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.227389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.227389 (E_RNA)
where:
Base-Base interactions energy: -98.950
where: short stacking energy: -34.314
Base-Backbone interact. energy: -0.111
local terms energy: -52.166611
where:
bonds (distance) C4'-P energy: -12.018
bonds (distance) P-C4' energy: -9.595
flat angles C4'-P-C4' energy: -11.111
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -10.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -157.936868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.936868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.936868 (E_RNA)
where:
Base-Base interactions energy: -103.905
where: short stacking energy: -36.884
Base-Backbone interact. energy: 1.122
local terms energy: -55.153896
where:
bonds (distance) C4'-P energy: -8.951
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -11.997
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -10.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -135.397919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.397919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.397919 (E_RNA)
where:
Base-Base interactions energy: -85.587
where: short stacking energy: -34.318
Base-Backbone interact. energy: -0.645
local terms energy: -49.165864
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -9.559
flat angles P-C4'-P energy: -6.963
tors. eta vs tors. theta energy: -7.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -137.382380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.382380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.382380 (E_RNA)
where:
Base-Base interactions energy: -93.444
where: short stacking energy: -30.513
Base-Backbone interact. energy: -0.781
local terms energy: -43.157452
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -9.056
flat angles C4'-P-C4' energy: -10.415
flat angles P-C4'-P energy: -2.472
tors. eta vs tors. theta energy: -7.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -144.918493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.918493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.918493 (E_RNA)
where:
Base-Base interactions energy: -96.925
where: short stacking energy: -27.678
Base-Backbone interact. energy: -0.018
local terms energy: -47.975864
where:
bonds (distance) C4'-P energy: -10.457
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -10.838
flat angles P-C4'-P energy: -6.409
tors. eta vs tors. theta energy: -8.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -82.062570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.062570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.062570 (E_RNA)
where:
Base-Base interactions energy: -40.465
where: short stacking energy: -25.461
Base-Backbone interact. energy: -0.141
local terms energy: -41.457256
where:
bonds (distance) C4'-P energy: -5.354
bonds (distance) P-C4' energy: -11.292
flat angles C4'-P-C4' energy: -9.397
flat angles P-C4'-P energy: -8.162
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: 7, replica: 5
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -59.634101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.634101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.634101 (E_RNA)
where:
Base-Base interactions energy: -25.688
where: short stacking energy: -21.372
Base-Backbone interact. energy: -0.202
local terms energy: -33.743545
where:
bonds (distance) C4'-P energy: -3.918
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -6.108
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: 8, replica: 2
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -65.535290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.535290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.535290 (E_RNA)
where:
Base-Base interactions energy: -23.085
where: short stacking energy: -21.069
Base-Backbone interact. energy: -0.121
local terms energy: -42.330054
where:
bonds (distance) C4'-P energy: -8.417
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -8.991
flat angles P-C4'-P energy: -6.081
tors. eta vs tors. theta energy: -4.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -64.757522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.757522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.757522 (E_RNA)
where:
Base-Base interactions energy: -19.154
where: short stacking energy: -19.154
Base-Backbone interact. energy: -0.059
local terms energy: -45.544818
where:
bonds (distance) C4'-P energy: -11.443
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -8.840
flat angles P-C4'-P energy: -7.453
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: 3
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -64.418440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.418440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.418440 (E_RNA)
where:
Base-Base interactions energy: -20.563
where: short stacking energy: -18.368
Base-Backbone interact. energy: -0.660
local terms energy: -43.195854
where:
bonds (distance) C4'-P energy: -10.651
bonds (distance) P-C4' energy: -10.754
flat angles C4'-P-C4' energy: -12.349
flat angles P-C4'-P energy: -6.670
tors. eta vs tors. theta energy: -2.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -152.356763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.356763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.356763 (E_RNA)
where:
Base-Base interactions energy: -96.575
where: short stacking energy: -35.915
Base-Backbone interact. energy: -0.123
local terms energy: -55.658192
where:
bonds (distance) C4'-P energy: -8.458
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -12.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -138.695544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.695544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.695544 (E_RNA)
where:
Base-Base interactions energy: -84.874
where: short stacking energy: -35.447
Base-Backbone interact. energy: -0.076
local terms energy: -53.745535
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -7.987
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: -9.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -131.888083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.888083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.888083 (E_RNA)
where:
Base-Base interactions energy: -80.472
where: short stacking energy: -36.790
Base-Backbone interact. energy: -0.050
local terms energy: -51.365761
where:
bonds (distance) C4'-P energy: -10.632
bonds (distance) P-C4' energy: -12.360
flat angles C4'-P-C4' energy: -11.298
flat angles P-C4'-P energy: -6.176
tors. eta vs tors. theta energy: -10.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -133.413351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.413351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.413351 (E_RNA)
where:
Base-Base interactions energy: -85.407
where: short stacking energy: -27.577
Base-Backbone interact. energy: 1.240
local terms energy: -49.246625
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -7.116
flat angles P-C4'-P energy: -7.951
tors. eta vs tors. theta energy: -8.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -130.524133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.524133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.524133 (E_RNA)
where:
Base-Base interactions energy: -88.896
where: short stacking energy: -30.556
Base-Backbone interact. energy: -0.036
local terms energy: -41.592716
where:
bonds (distance) C4'-P energy: -10.092
bonds (distance) P-C4' energy: -10.544
flat angles C4'-P-C4' energy: -7.958
flat angles P-C4'-P energy: -5.502
tors. eta vs tors. theta energy: -7.497
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: 6, replica: 5
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -70.458764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.458764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.458764 (E_RNA)
where:
Base-Base interactions energy: -24.266
where: short stacking energy: -23.606
Base-Backbone interact. energy: -0.243
local terms energy: -45.949597
where:
bonds (distance) C4'-P energy: -11.575
bonds (distance) P-C4' energy: -9.046
flat angles C4'-P-C4' energy: -10.863
flat angles P-C4'-P energy: -6.427
tors. eta vs tors. theta energy: -8.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -62.793074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.793074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.793074 (E_RNA)
where:
Base-Base interactions energy: -33.150
where: short stacking energy: -11.731
Base-Backbone interact. energy: -0.177
local terms energy: -29.465875
where:
bonds (distance) C4'-P energy: -7.736
bonds (distance) P-C4' energy: -6.179
flat angles C4'-P-C4' energy: -9.577
flat angles P-C4'-P energy: -8.057
tors. eta vs tors. theta energy: 2.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -65.780271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.780271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.780271 (E_RNA)
where:
Base-Base interactions energy: -23.138
where: short stacking energy: -22.928
Base-Backbone interact. energy: -0.939
local terms energy: -41.703287
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -10.565
flat angles P-C4'-P energy: -5.375
tors. eta vs tors. theta energy: -2.431
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: 9
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -64.355340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.355340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.355340 (E_RNA)
where:
Base-Base interactions energy: -23.566
where: short stacking energy: -17.295
Base-Backbone interact. energy: -0.015
local terms energy: -40.774049
where:
bonds (distance) C4'-P energy: -10.207
bonds (distance) P-C4' energy: -10.657
flat angles C4'-P-C4' energy: -12.059
flat angles P-C4'-P energy: -7.312
tors. eta vs tors. theta energy: -0.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -55.584215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.584215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.584215 (E_RNA)
where:
Base-Base interactions energy: -8.205
where: short stacking energy: -8.205
Base-Backbone interact. energy: -0.015
local terms energy: -47.363616
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -8.717
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -4.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -151.305479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.305479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.305479 (E_RNA)
where:
Base-Base interactions energy: -94.989
where: short stacking energy: -33.441
Base-Backbone interact. energy: -0.011
local terms energy: -56.304968
where:
bonds (distance) C4'-P energy: -10.263
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -12.658
flat angles P-C4'-P energy: -8.735
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: 2, replica: 8
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -139.073034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.073034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.073034 (E_RNA)
where:
Base-Base interactions energy: -83.450
where: short stacking energy: -35.101
Base-Backbone interact. energy: -0.031
local terms energy: -55.592515
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -5.498
tors. eta vs tors. theta energy: -11.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -155.287019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.287019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.287019 (E_RNA)
where:
Base-Base interactions energy: -107.108
where: short stacking energy: -34.396
Base-Backbone interact. energy: -0.195
local terms energy: -47.983935
where:
bonds (distance) C4'-P energy: -11.513
bonds (distance) P-C4' energy: -11.352
flat angles C4'-P-C4' energy: -10.804
flat angles P-C4'-P energy: -3.549
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: 4, replica: 6
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -133.869196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.869196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.869196 (E_RNA)
where:
Base-Base interactions energy: -85.471
where: short stacking energy: -26.849
Base-Backbone interact. energy: -0.753
local terms energy: -47.645346
where:
bonds (distance) C4'-P energy: -11.414
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -8.705
flat angles P-C4'-P energy: -6.284
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: 4
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -117.943548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.943548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.943548 (E_RNA)
where:
Base-Base interactions energy: -70.059
where: short stacking energy: -33.917
Base-Backbone interact. energy: -0.069
local terms energy: -47.815764
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -8.026
flat angles P-C4'-P energy: -6.906
tors. eta vs tors. theta energy: -9.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -72.216147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.216147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.216147 (E_RNA)
where:
Base-Base interactions energy: -33.543
where: short stacking energy: -22.914
Base-Backbone interact. energy: -0.365
local terms energy: -38.308502
where:
bonds (distance) C4'-P energy: -8.343
bonds (distance) P-C4' energy: -10.372
flat angles C4'-P-C4' energy: -8.789
flat angles P-C4'-P energy: -7.052
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: 7, replica: 2
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -73.270699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.270699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.270699 (E_RNA)
where:
Base-Base interactions energy: -25.605
where: short stacking energy: -25.605
Base-Backbone interact. energy: -0.104
local terms energy: -47.561650
where:
bonds (distance) C4'-P energy: -11.576
bonds (distance) P-C4' energy: -11.959
flat angles C4'-P-C4' energy: -8.702
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -7.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -57.365027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.365027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.365027 (E_RNA)
where:
Base-Base interactions energy: -19.972
where: short stacking energy: -19.972
Base-Backbone interact. energy: -0.173
local terms energy: -37.219223
where:
bonds (distance) C4'-P energy: -11.141
bonds (distance) P-C4' energy: -8.335
flat angles C4'-P-C4' energy: -10.980
flat angles P-C4'-P energy: -7.119
tors. eta vs tors. theta energy: 0.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -60.301235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.301235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.301235 (E_RNA)
where:
Base-Base interactions energy: -21.321
where: short stacking energy: -19.119
Base-Backbone interact. energy: -0.037
local terms energy: -38.942655
where:
bonds (distance) C4'-P energy: -12.067
bonds (distance) P-C4' energy: -9.849
flat angles C4'-P-C4' energy: -9.996
flat angles P-C4'-P energy: -4.928
tors. eta vs tors. theta energy: -2.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -63.241473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.241473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.241473 (E_RNA)
where:
Base-Base interactions energy: -27.871
where: short stacking energy: -16.854
Base-Backbone interact. energy: -0.059
local terms energy: -35.310847
where:
bonds (distance) C4'-P energy: -7.055
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -9.580
flat angles P-C4'-P energy: -6.396
tors. eta vs tors. theta energy: 0.193
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: 1, replica: 7
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -153.817333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.817333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.817333 (E_RNA)
where:
Base-Base interactions energy: -102.700
where: short stacking energy: -36.344
Base-Backbone interact. energy: -0.004
local terms energy: -51.113139
where:
bonds (distance) C4'-P energy: -7.873
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -9.694
flat angles P-C4'-P energy: -8.439
tors. eta vs tors. theta energy: -10.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -153.664013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.664013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.664013 (E_RNA)
where:
Base-Base interactions energy: -100.182
where: short stacking energy: -35.874
Base-Backbone interact. energy: -0.087
local terms energy: -53.394519
where:
bonds (distance) C4'-P energy: -12.759
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -11.120
flat angles P-C4'-P energy: -7.291
tors. eta vs tors. theta energy: -9.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -143.300117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.300117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.300117 (E_RNA)
where:
Base-Base interactions energy: -91.446
where: short stacking energy: -31.580
Base-Backbone interact. energy: -0.239
local terms energy: -51.615644
where:
bonds (distance) C4'-P energy: -12.394
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -10.710
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -8.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -140.124211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.124211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.124211 (E_RNA)
where:
Base-Base interactions energy: -91.150
where: short stacking energy: -43.112
Base-Backbone interact. energy: -0.053
local terms energy: -48.921818
where:
bonds (distance) C4'-P energy: -10.661
bonds (distance) P-C4' energy: -11.602
flat angles C4'-P-C4' energy: -8.422
flat angles P-C4'-P energy: -4.798
tors. eta vs tors. theta energy: -13.438
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: 45
Temperature: 1.100000
Total energy: -125.802472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.802472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.802472 (E_RNA)
where:
Base-Base interactions energy: -75.777
where: short stacking energy: -32.308
Base-Backbone interact. energy: -0.006
local terms energy: -50.018850
where:
bonds (distance) C4'-P energy: -7.824
bonds (distance) P-C4' energy: -10.146
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: -12.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -77.682254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.682254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.682254 (E_RNA)
where:
Base-Base interactions energy: -41.273
where: short stacking energy: -28.820
Base-Backbone interact. energy: -0.080
local terms energy: -36.329398
where:
bonds (distance) C4'-P energy: -10.092
bonds (distance) P-C4' energy: -8.355
flat angles C4'-P-C4' energy: -6.879
flat angles P-C4'-P energy: -6.601
tors. eta vs tors. theta energy: -4.402
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: 5
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -65.528926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.528926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.528926 (E_RNA)
where:
Base-Base interactions energy: -22.880
where: short stacking energy: -21.068
Base-Backbone interact. energy: -0.021
local terms energy: -42.628245
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -10.318
flat angles P-C4'-P energy: -4.370
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: 8, replica: 3
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -59.823658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.823658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.823658 (E_RNA)
where:
Base-Base interactions energy: -16.627
where: short stacking energy: -16.627
Base-Backbone interact. energy: -0.001
local terms energy: -43.195419
where:
bonds (distance) C4'-P energy: -10.648
bonds (distance) P-C4' energy: -10.725
flat angles C4'-P-C4' energy: -11.518
flat angles P-C4'-P energy: -5.942
tors. eta vs tors. theta energy: -4.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -59.073182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.073182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.073182 (E_RNA)
where:
Base-Base interactions energy: -21.089
where: short stacking energy: -21.089
Base-Backbone interact. energy: -0.040
local terms energy: -37.943797
where:
bonds (distance) C4'-P energy: -10.622
bonds (distance) P-C4' energy: -10.587
flat angles C4'-P-C4' energy: -10.179
flat angles P-C4'-P energy: -5.507
tors. eta vs tors. theta energy: -1.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -56.405184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.405184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.405184 (E_RNA)
where:
Base-Base interactions energy: -24.494
where: short stacking energy: -11.205
Base-Backbone interact. energy: -0.626
local terms energy: -31.285347
where:
bonds (distance) C4'-P energy: -7.510
bonds (distance) P-C4' energy: -10.853
flat angles C4'-P-C4' energy: -8.501
flat angles P-C4'-P energy: -2.754
tors. eta vs tors. theta energy: -1.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -161.279772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.279772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.279772 (E_RNA)
where:
Base-Base interactions energy: -106.184
where: short stacking energy: -42.244
Base-Backbone interact. energy: -1.022
local terms energy: -54.073521
where:
bonds (distance) C4'-P energy: -11.244
bonds (distance) P-C4' energy: -11.295
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -4.675
tors. eta vs tors. theta energy: -14.241
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: 10
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -150.014171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.014171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.014171 (E_RNA)
where:
Base-Base interactions energy: -101.811
where: short stacking energy: -44.718
Base-Backbone interact. energy: -0.037
local terms energy: -48.166110
where:
bonds (distance) C4'-P energy: -10.375
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -7.942
flat angles P-C4'-P energy: -4.263
tors. eta vs tors. theta energy: -12.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -145.942880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.942880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.942880 (E_RNA)
where:
Base-Base interactions energy: -101.720
where: short stacking energy: -30.910
Base-Backbone interact. energy: -0.097
local terms energy: -44.126123
where:
bonds (distance) C4'-P energy: -5.700
bonds (distance) P-C4' energy: -8.435
flat angles C4'-P-C4' energy: -12.430
flat angles P-C4'-P energy: -6.898
tors. eta vs tors. theta energy: -10.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -141.133626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.133626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.133626 (E_RNA)
where:
Base-Base interactions energy: -85.459
where: short stacking energy: -38.122
Base-Backbone interact. energy: -0.001
local terms energy: -55.672729
where:
bonds (distance) C4'-P energy: -12.278
bonds (distance) P-C4' energy: -11.309
flat angles C4'-P-C4' energy: -12.300
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: -11.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -136.503329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.503329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.503329 (E_RNA)
where:
Base-Base interactions energy: -90.604
where: short stacking energy: -30.816
Base-Backbone interact. energy: -0.057
local terms energy: -45.842097
where:
bonds (distance) C4'-P energy: -10.759
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -3.726
tors. eta vs tors. theta energy: -7.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -67.971782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.971782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.971782 (E_RNA)
where:
Base-Base interactions energy: -33.007
where: short stacking energy: -25.086
Base-Backbone interact. energy: -0.034
local terms energy: -34.931044
where:
bonds (distance) C4'-P energy: -7.580
bonds (distance) P-C4' energy: -10.591
flat angles C4'-P-C4' energy: -10.682
flat angles P-C4'-P energy: -2.350
tors. eta vs tors. theta energy: -3.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -70.177263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.177263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.177263 (E_RNA)
where:
Base-Base interactions energy: -34.047
where: short stacking energy: -26.544
Base-Backbone interact. energy: -0.019
local terms energy: -36.111385
where:
bonds (distance) C4'-P energy: -10.379
bonds (distance) P-C4' energy: -7.753
flat angles C4'-P-C4' energy: -6.890
flat angles P-C4'-P energy: -7.190
tors. eta vs tors. theta energy: -3.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -62.338657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.338657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.338657 (E_RNA)
where:
Base-Base interactions energy: -26.836
where: short stacking energy: -13.826
Base-Backbone interact. energy: -0.545
local terms energy: -34.957760
where:
bonds (distance) C4'-P energy: -8.396
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -11.361
flat angles P-C4'-P energy: -0.611
tors. eta vs tors. theta energy: -1.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -82.331023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.331023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.331023 (E_RNA)
where:
Base-Base interactions energy: -38.481
where: short stacking energy: -18.093
Base-Backbone interact. energy: -0.635
local terms energy: -43.215054
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -11.420
flat angles C4'-P-C4' energy: -9.773
flat angles P-C4'-P energy: -6.521
tors. eta vs tors. theta energy: -5.010
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: 10, replica: 9
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -60.238275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.238275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.238275 (E_RNA)
where:
Base-Base interactions energy: -20.585
where: short stacking energy: -12.469
Base-Backbone interact. energy: -0.391
local terms energy: -39.262740
where:
bonds (distance) C4'-P energy: -9.145
bonds (distance) P-C4' energy: -10.574
flat angles C4'-P-C4' energy: -10.598
flat angles P-C4'-P energy: -2.985
tors. eta vs tors. theta energy: -5.960
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: 7
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -150.492186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.492186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.492186 (E_RNA)
where:
Base-Base interactions energy: -107.514
where: short stacking energy: -30.531
Base-Backbone interact. energy: 0.157
local terms energy: -43.134717
where:
bonds (distance) C4'-P energy: -10.459
bonds (distance) P-C4' energy: -10.397
flat angles C4'-P-C4' energy: -8.250
flat angles P-C4'-P energy: -3.446
tors. eta vs tors. theta energy: -10.583
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: 2, replica: 4
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -148.753857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.753857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.753857 (E_RNA)
where:
Base-Base interactions energy: -97.480
where: short stacking energy: -34.082
Base-Backbone interact. energy: 0.828
local terms energy: -52.101487
where:
bonds (distance) C4'-P energy: -11.592
bonds (distance) P-C4' energy: -10.007
flat angles C4'-P-C4' energy: -12.189
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -8.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -139.653479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.653479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.653479 (E_RNA)
where:
Base-Base interactions energy: -96.424
where: short stacking energy: -35.890
Base-Backbone interact. energy: -0.024
local terms energy: -43.205424
where:
bonds (distance) C4'-P energy: -10.363
bonds (distance) P-C4' energy: -6.097
flat angles C4'-P-C4' energy: -12.009
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -5.737
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: 6
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -141.666479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.666479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.666479 (E_RNA)
where:
Base-Base interactions energy: -95.998
where: short stacking energy: -31.499
Base-Backbone interact. energy: -0.205
local terms energy: -45.463874
where:
bonds (distance) C4'-P energy: -8.444
bonds (distance) P-C4' energy: -9.956
flat angles C4'-P-C4' energy: -9.792
flat angles P-C4'-P energy: -7.030
tors. eta vs tors. theta energy: -10.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -129.580654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.580654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.580654 (E_RNA)
where:
Base-Base interactions energy: -83.193
where: short stacking energy: -35.584
Base-Backbone interact. energy: -0.278
local terms energy: -46.109213
where:
bonds (distance) C4'-P energy: -8.283
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -7.721
flat angles P-C4'-P energy: -6.333
tors. eta vs tors. theta energy: -12.233
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: 2
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -68.462838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.462838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.462838 (E_RNA)
where:
Base-Base interactions energy: -21.524
where: short stacking energy: -21.504
Base-Backbone interact. energy: 0.535
local terms energy: -47.473546
where:
bonds (distance) C4'-P energy: -11.061
bonds (distance) P-C4' energy: -12.706
flat angles C4'-P-C4' energy: -9.134
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -5.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -68.128850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.128850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.128850 (E_RNA)
where:
Base-Base interactions energy: -28.241
where: short stacking energy: -15.741
Base-Backbone interact. energy: -0.092
local terms energy: -39.795658
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -12.647
flat angles C4'-P-C4' energy: -8.753
flat angles P-C4'-P energy: -7.804
tors. eta vs tors. theta energy: 2.416
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: 1
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -61.055225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.055225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.055225 (E_RNA)
where:
Base-Base interactions energy: -21.382
where: short stacking energy: -15.026
Base-Backbone interact. energy: -0.179
local terms energy: -39.493849
where:
bonds (distance) C4'-P energy: -11.007
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -10.405
flat angles P-C4'-P energy: -6.715
tors. eta vs tors. theta energy: 2.137
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: 5
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -61.142674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.142674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.142674 (E_RNA)
where:
Base-Base interactions energy: -33.423
where: short stacking energy: -11.548
Base-Backbone interact. energy: -0.585
local terms energy: -27.134500
where:
bonds (distance) C4'-P energy: -3.167
bonds (distance) P-C4' energy: -11.705
flat angles C4'-P-C4' energy: -8.718
flat angles P-C4'-P energy: -4.529
tors. eta vs tors. theta energy: 0.983
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: 9
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -62.791307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.791307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.791307 (E_RNA)
where:
Base-Base interactions energy: -29.717
where: short stacking energy: -7.889
Base-Backbone interact. energy: -0.148
local terms energy: -32.926439
where:
bonds (distance) C4'-P energy: -10.806
bonds (distance) P-C4' energy: -11.399
flat angles C4'-P-C4' energy: -5.499
flat angles P-C4'-P energy: -4.387
tors. eta vs tors. theta energy: -0.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -157.634260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.634260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.634260 (E_RNA)
where:
Base-Base interactions energy: -104.362
where: short stacking energy: -39.143
Base-Backbone interact. energy: -0.050
local terms energy: -53.222215
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -11.834
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -5.127
tors. eta vs tors. theta energy: -10.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -141.037669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.037669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.037669 (E_RNA)
where:
Base-Base interactions energy: -89.937
where: short stacking energy: -32.686
Base-Backbone interact. energy: -0.009
local terms energy: -51.091163
where:
bonds (distance) C4'-P energy: -10.909
bonds (distance) P-C4' energy: -11.035
flat angles C4'-P-C4' energy: -10.880
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -10.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -144.581447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.581447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.581447 (E_RNA)
where:
Base-Base interactions energy: -87.369
where: short stacking energy: -34.997
Base-Backbone interact. energy: -0.001
local terms energy: -57.211531
where:
bonds (distance) C4'-P energy: -10.897
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -9.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -142.653239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.653239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.653239 (E_RNA)
where:
Base-Base interactions energy: -94.116
where: short stacking energy: -37.738
Base-Backbone interact. energy: -0.279
local terms energy: -48.258481
where:
bonds (distance) C4'-P energy: -9.419
bonds (distance) P-C4' energy: -9.627
flat angles C4'-P-C4' energy: -10.880
flat angles P-C4'-P energy: -3.489
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: 5, replica: 8
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -137.998506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.998506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.998506 (E_RNA)
where:
Base-Base interactions energy: -81.271
where: short stacking energy: -39.706
Base-Backbone interact. energy: -0.187
local terms energy: -56.540061
where:
bonds (distance) C4'-P energy: -11.355
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -11.757
flat angles P-C4'-P energy: -5.582
tors. eta vs tors. theta energy: -14.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -78.010646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.010646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.010646 (E_RNA)
where:
Base-Base interactions energy: -34.461
where: short stacking energy: -13.895
Base-Backbone interact. energy: -0.805
local terms energy: -42.744361
where:
bonds (distance) C4'-P energy: -9.837
bonds (distance) P-C4' energy: -12.663
flat angles C4'-P-C4' energy: -8.628
flat angles P-C4'-P energy: -7.378
tors. eta vs tors. theta energy: -4.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -61.283887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.283887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.283887 (E_RNA)
where:
Base-Base interactions energy: -15.649
where: short stacking energy: -15.649
Base-Backbone interact. energy: -0.006
local terms energy: -45.629089
where:
bonds (distance) C4'-P energy: -10.296
bonds (distance) P-C4' energy: -13.090
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -6.426
tors. eta vs tors. theta energy: -3.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -57.809065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.809065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.809065 (E_RNA)
where:
Base-Base interactions energy: -19.081
where: short stacking energy: -19.081
Base-Backbone interact. energy: -0.116
local terms energy: -38.612878
where:
bonds (distance) C4'-P energy: -10.094
bonds (distance) P-C4' energy: -11.770
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -3.517
tors. eta vs tors. theta energy: -1.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -57.680368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.680368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.680368 (E_RNA)
where:
Base-Base interactions energy: -17.668
where: short stacking energy: -9.049
Base-Backbone interact. energy: 0.090
local terms energy: -40.102623
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -6.201
flat angles P-C4'-P energy: -6.277
tors. eta vs tors. theta energy: -1.388
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: 5
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -54.972076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.972076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.972076 (E_RNA)
where:
Base-Base interactions energy: -12.647
where: short stacking energy: -12.236
Base-Backbone interact. energy: -0.049
local terms energy: -42.276704
where:
bonds (distance) C4'-P energy: -10.048
bonds (distance) P-C4' energy: -12.019
flat angles C4'-P-C4' energy: -8.133
flat angles P-C4'-P energy: -7.262
tors. eta vs tors. theta energy: -4.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -149.125564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.125564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.125564 (E_RNA)
where:
Base-Base interactions energy: -90.495
where: short stacking energy: -43.332
Base-Backbone interact. energy: -0.000
local terms energy: -58.630420
where:
bonds (distance) C4'-P energy: -11.815
bonds (distance) P-C4' energy: -14.457
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -12.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -144.360046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.360046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.360046 (E_RNA)
where:
Base-Base interactions energy: -87.600
where: short stacking energy: -31.395
Base-Backbone interact. energy: -0.787
local terms energy: -55.973004
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -9.486
flat angles P-C4'-P energy: -8.381
tors. eta vs tors. theta energy: -12.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -128.723837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.723837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.723837 (E_RNA)
where:
Base-Base interactions energy: -79.708
where: short stacking energy: -34.007
Base-Backbone interact. energy: -0.110
local terms energy: -48.905994
where:
bonds (distance) C4'-P energy: -8.913
bonds (distance) P-C4' energy: -12.338
flat angles C4'-P-C4' energy: -10.831
flat angles P-C4'-P energy: -5.274
tors. eta vs tors. theta energy: -11.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -130.493417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.493417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.493417 (E_RNA)
where:
Base-Base interactions energy: -76.111
where: short stacking energy: -33.094
Base-Backbone interact. energy: -0.636
local terms energy: -53.746352
where:
bonds (distance) C4'-P energy: -8.660
bonds (distance) P-C4' energy: -11.377
flat angles C4'-P-C4' energy: -11.315
flat angles P-C4'-P energy: -9.209
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: 5, replica: 8
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -133.500783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.500783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.500783 (E_RNA)
where:
Base-Base interactions energy: -87.228
where: short stacking energy: -37.530
Base-Backbone interact. energy: -0.022
local terms energy: -46.250876
where:
bonds (distance) C4'-P energy: -8.379
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -8.052
flat angles P-C4'-P energy: -6.100
tors. eta vs tors. theta energy: -10.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -87.417687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.417687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.417687 (E_RNA)
where:
Base-Base interactions energy: -38.914
where: short stacking energy: -14.829
Base-Backbone interact. energy: -0.055
local terms energy: -48.448879
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -11.625
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -3.048
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: 7, replica: 2
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -70.788563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.788563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.788563 (E_RNA)
where:
Base-Base interactions energy: -32.738
where: short stacking energy: -21.448
Base-Backbone interact. energy: -0.249
local terms energy: -37.801491
where:
bonds (distance) C4'-P energy: -9.552
bonds (distance) P-C4' energy: -9.154
flat angles C4'-P-C4' energy: -8.131
flat angles P-C4'-P energy: -9.537
tors. eta vs tors. theta energy: -1.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -72.527513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.527513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.527513 (E_RNA)
where:
Base-Base interactions energy: -44.170
where: short stacking energy: -17.910
Base-Backbone interact. energy: 0.764
local terms energy: -29.121896
where:
bonds (distance) C4'-P energy: -6.686
bonds (distance) P-C4' energy: -11.095
flat angles C4'-P-C4' energy: -9.237
flat angles P-C4'-P energy: -2.578
tors. eta vs tors. theta energy: 0.473
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: 3
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -61.462048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.462048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.462048 (E_RNA)
where:
Base-Base interactions energy: -21.045
where: short stacking energy: -15.463
Base-Backbone interact. energy: 0.340
local terms energy: -40.756953
where:
bonds (distance) C4'-P energy: -11.662
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -8.053
flat angles P-C4'-P energy: -3.837
tors. eta vs tors. theta energy: -4.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -65.531736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.531736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.531736 (E_RNA)
where:
Base-Base interactions energy: -19.595
where: short stacking energy: -19.595
Base-Backbone interact. energy: -0.000
local terms energy: -45.936287
where:
bonds (distance) C4'-P energy: -11.082
bonds (distance) P-C4' energy: -9.952
flat angles C4'-P-C4' energy: -9.188
flat angles P-C4'-P energy: -6.234
tors. eta vs tors. theta energy: -9.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -156.389269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.389269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.389269 (E_RNA)
where:
Base-Base interactions energy: -99.333
where: short stacking energy: -36.619
Base-Backbone interact. energy: -0.477
local terms energy: -56.579548
where:
bonds (distance) C4'-P energy: -11.787
bonds (distance) P-C4' energy: -11.387
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -11.391
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: 2, replica: 6
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -132.571107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.571107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.571107 (E_RNA)
where:
Base-Base interactions energy: -80.247
where: short stacking energy: -37.054
Base-Backbone interact. energy: -0.235
local terms energy: -52.088773
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -8.850
flat angles P-C4'-P energy: -7.016
tors. eta vs tors. theta energy: -12.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -151.697637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.697637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.697637 (E_RNA)
where:
Base-Base interactions energy: -100.148
where: short stacking energy: -34.207
Base-Backbone interact. energy: -0.073
local terms energy: -51.477025
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -10.642
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -6.281
tors. eta vs tors. theta energy: -9.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -131.610565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.610565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.610565 (E_RNA)
where:
Base-Base interactions energy: -80.811
where: short stacking energy: -36.615
Base-Backbone interact. energy: -0.002
local terms energy: -50.797677
where:
bonds (distance) C4'-P energy: -13.264
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -10.626
flat angles P-C4'-P energy: -6.308
tors. eta vs tors. theta energy: -8.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -136.727273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.727273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.727273 (E_RNA)
where:
Base-Base interactions energy: -85.388
where: short stacking energy: -31.392
Base-Backbone interact. energy: -0.078
local terms energy: -51.261465
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -11.006
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -8.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -113.615610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.615610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.615610 (E_RNA)
where:
Base-Base interactions energy: -70.409
where: short stacking energy: -22.620
Base-Backbone interact. energy: -0.111
local terms energy: -43.095352
where:
bonds (distance) C4'-P energy: -10.813
bonds (distance) P-C4' energy: -12.204
flat angles C4'-P-C4' energy: -7.891
flat angles P-C4'-P energy: -5.605
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: 7, replica: 9
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -74.223730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.223730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.223730 (E_RNA)
where:
Base-Base interactions energy: -32.245
where: short stacking energy: -17.226
Base-Backbone interact. energy: -0.043
local terms energy: -41.935601
where:
bonds (distance) C4'-P energy: -10.644
bonds (distance) P-C4' energy: -9.939
flat angles C4'-P-C4' energy: -8.902
flat angles P-C4'-P energy: -8.263
tors. eta vs tors. theta energy: -4.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -65.654996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.654996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.654996 (E_RNA)
where:
Base-Base interactions energy: -18.204
where: short stacking energy: -18.204
Base-Backbone interact. energy: -0.165
local terms energy: -47.285962
where:
bonds (distance) C4'-P energy: -12.295
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -11.011
flat angles P-C4'-P energy: -6.535
tors. eta vs tors. theta energy: -3.895
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: 9, replica: 3
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -53.377238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.377238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.377238 (E_RNA)
where:
Base-Base interactions energy: -16.219
where: short stacking energy: -16.219
Base-Backbone interact. energy: -0.394
local terms energy: -36.764114
where:
bonds (distance) C4'-P energy: -11.381
bonds (distance) P-C4' energy: -10.290
flat angles C4'-P-C4' energy: -8.290
flat angles P-C4'-P energy: -6.849
tors. eta vs tors. theta energy: 0.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -57.854037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.854037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.854037 (E_RNA)
where:
Base-Base interactions energy: -21.951
where: short stacking energy: -18.793
Base-Backbone interact. energy: -0.583
local terms energy: -35.319856
where:
bonds (distance) C4'-P energy: -7.758
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -9.415
flat angles P-C4'-P energy: -5.316
tors. eta vs tors. theta energy: -0.616
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: 4
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -148.876820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.876820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.876820 (E_RNA)
where:
Base-Base interactions energy: -104.126
where: short stacking energy: -38.747
Base-Backbone interact. energy: -0.049
local terms energy: -44.702135
where:
bonds (distance) C4'-P energy: -10.139
bonds (distance) P-C4' energy: -11.844
flat angles C4'-P-C4' energy: -8.842
flat angles P-C4'-P energy: -4.997
tors. eta vs tors. theta energy: -8.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -157.014972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.014972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.014972 (E_RNA)
where:
Base-Base interactions energy: -103.546
where: short stacking energy: -38.452
Base-Backbone interact. energy: -0.192
local terms energy: -53.276382
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -12.102
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -4.032
tors. eta vs tors. theta energy: -11.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -151.017652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.017652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.017652 (E_RNA)
where:
Base-Base interactions energy: -96.507
where: short stacking energy: -39.963
Base-Backbone interact. energy: -0.117
local terms energy: -54.393675
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -12.562
flat angles P-C4'-P energy: -6.874
tors. eta vs tors. theta energy: -9.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -141.496532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.496532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.496532 (E_RNA)
where:
Base-Base interactions energy: -96.494
where: short stacking energy: -39.586
Base-Backbone interact. energy: 3.857
local terms energy: -48.859040
where:
bonds (distance) C4'-P energy: -10.409
bonds (distance) P-C4' energy: -9.806
flat angles C4'-P-C4' energy: -10.718
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: -9.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -136.647582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.647582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.647582 (E_RNA)
where:
Base-Base interactions energy: -90.652
where: short stacking energy: -28.392
Base-Backbone interact. energy: -0.033
local terms energy: -45.963155
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -1.729
tors. eta vs tors. theta energy: -7.731
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: 1
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -120.892250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.892250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.892250 (E_RNA)
where:
Base-Base interactions energy: -80.611
where: short stacking energy: -21.912
Base-Backbone interact. energy: -0.219
local terms energy: -40.062607
where:
bonds (distance) C4'-P energy: -7.771
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -6.900
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -4.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -58.349277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.349277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.349277 (E_RNA)
where:
Base-Base interactions energy: -18.180
where: short stacking energy: -10.669
Base-Backbone interact. energy: -0.219
local terms energy: -39.950724
where:
bonds (distance) C4'-P energy: -11.903
bonds (distance) P-C4' energy: -7.918
flat angles C4'-P-C4' energy: -10.152
flat angles P-C4'-P energy: -6.418
tors. eta vs tors. theta energy: -3.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -57.297638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.297638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.297638 (E_RNA)
where:
Base-Base interactions energy: -20.017
where: short stacking energy: -6.910
Base-Backbone interact. energy: -0.095
local terms energy: -37.185886
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -12.854
flat angles C4'-P-C4' energy: -10.694
flat angles P-C4'-P energy: -4.837
tors. eta vs tors. theta energy: 3.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -87.060923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.060923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.060923 (E_RNA)
where:
Base-Base interactions energy: -49.090
where: short stacking energy: -19.643
Base-Backbone interact. energy: -0.146
local terms energy: -37.825464
where:
bonds (distance) C4'-P energy: -10.947
bonds (distance) P-C4' energy: -5.243
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -4.921
tors. eta vs tors. theta energy: -4.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -57.399050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.399050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.399050 (E_RNA)
where:
Base-Base interactions energy: -18.691
where: short stacking energy: -12.677
Base-Backbone interact. energy: -0.156
local terms energy: -38.552116
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -11.118
flat angles P-C4'-P energy: -4.878
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: 10
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -155.006258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.006258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.006258 (E_RNA)
where:
Base-Base interactions energy: -98.001
where: short stacking energy: -34.029
Base-Backbone interact. energy: -0.065
local terms energy: -56.940147
where:
bonds (distance) C4'-P energy: -8.351
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -12.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -143.033924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.033924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.033924 (E_RNA)
where:
Base-Base interactions energy: -90.822
where: short stacking energy: -41.163
Base-Backbone interact. energy: -0.400
local terms energy: -51.811825
where:
bonds (distance) C4'-P energy: -12.399
bonds (distance) P-C4' energy: -11.666
flat angles C4'-P-C4' energy: -10.661
flat angles P-C4'-P energy: -7.633
tors. eta vs tors. theta energy: -9.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -148.447103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.447103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.447103 (E_RNA)
where:
Base-Base interactions energy: -97.533
where: short stacking energy: -34.566
Base-Backbone interact. energy: 0.707
local terms energy: -51.620855
where:
bonds (distance) C4'-P energy: -8.077
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -12.043
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -9.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -141.539012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.539012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.539012 (E_RNA)
where:
Base-Base interactions energy: -91.447
where: short stacking energy: -40.287
Base-Backbone interact. energy: -0.068
local terms energy: -50.023772
where:
bonds (distance) C4'-P energy: -12.234
bonds (distance) P-C4' energy: -10.661
flat angles C4'-P-C4' energy: -9.481
flat angles P-C4'-P energy: -5.557
tors. eta vs tors. theta energy: -12.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -137.462218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.462218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.462218 (E_RNA)
where:
Base-Base interactions energy: -90.212
where: short stacking energy: -32.944
Base-Backbone interact. energy: -0.062
local terms energy: -47.189010
where:
bonds (distance) C4'-P energy: -11.513
bonds (distance) P-C4' energy: -10.386
flat angles C4'-P-C4' energy: -9.971
flat angles P-C4'-P energy: -5.094
tors. eta vs tors. theta energy: -10.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -117.112490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.112490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.112490 (E_RNA)
where:
Base-Base interactions energy: -77.942
where: short stacking energy: -32.206
Base-Backbone interact. energy: -0.066
local terms energy: -39.105083
where:
bonds (distance) C4'-P energy: -5.662
bonds (distance) P-C4' energy: -7.426
flat angles C4'-P-C4' energy: -9.029
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -8.562
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: 52
Temperature: 1.200000
Total energy: -63.932795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.932795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.932795 (E_RNA)
where:
Base-Base interactions energy: -24.897
where: short stacking energy: -24.897
Base-Backbone interact. energy: -0.027
local terms energy: -39.008982
where:
bonds (distance) C4'-P energy: -9.745
bonds (distance) P-C4' energy: -11.115
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: 0.441
tors. eta vs tors. theta energy: -6.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -66.985007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.985007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.985007 (E_RNA)
where:
Base-Base interactions energy: -26.793
where: short stacking energy: -9.937
Base-Backbone interact. energy: -0.153
local terms energy: -40.038464
where:
bonds (distance) C4'-P energy: -5.092
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -11.625
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -2.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -74.836846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.836846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.836846 (E_RNA)
where:
Base-Base interactions energy: -34.866
where: short stacking energy: -21.270
Base-Backbone interact. energy: -0.181
local terms energy: -39.790243
where:
bonds (distance) C4'-P energy: -11.890
bonds (distance) P-C4' energy: -10.830
flat angles C4'-P-C4' energy: -7.949
flat angles P-C4'-P energy: -5.849
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: 2
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -57.014406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.014406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.014406 (E_RNA)
where:
Base-Base interactions energy: -20.633
where: short stacking energy: -9.557
Base-Backbone interact. energy: -0.056
local terms energy: -36.325504
where:
bonds (distance) C4'-P energy: -10.697
bonds (distance) P-C4' energy: -10.168
flat angles C4'-P-C4' energy: -8.323
flat angles P-C4'-P energy: -6.023
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: 1, replica: 10
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -155.049018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.049018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.049018 (E_RNA)
where:
Base-Base interactions energy: -110.671
where: short stacking energy: -42.080
Base-Backbone interact. energy: -0.057
local terms energy: -44.321171
where:
bonds (distance) C4'-P energy: -9.186
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -9.794
flat angles P-C4'-P energy: -2.732
tors. eta vs tors. theta energy: -10.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -145.975355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.975355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.975355 (E_RNA)
where:
Base-Base interactions energy: -100.058
where: short stacking energy: -35.633
Base-Backbone interact. energy: -0.028
local terms energy: -45.890051
where:
bonds (distance) C4'-P energy: -6.960
bonds (distance) P-C4' energy: -11.877
flat angles C4'-P-C4' energy: -10.665
flat angles P-C4'-P energy: -7.354
tors. eta vs tors. theta energy: -9.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -153.855645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.855645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.855645 (E_RNA)
where:
Base-Base interactions energy: -95.765
where: short stacking energy: -39.082
Base-Backbone interact. energy: -0.269
local terms energy: -57.822079
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -11.204
flat angles P-C4'-P energy: -7.910
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: 4, replica: 1
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -136.077703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.077703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.077703 (E_RNA)
where:
Base-Base interactions energy: -83.431
where: short stacking energy: -39.731
Base-Backbone interact. energy: -0.770
local terms energy: -51.875985
where:
bonds (distance) C4'-P energy: -9.986
bonds (distance) P-C4' energy: -9.867
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -4.875
tors. eta vs tors. theta energy: -13.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -133.323490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.323490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.323490 (E_RNA)
where:
Base-Base interactions energy: -82.978
where: short stacking energy: -33.149
Base-Backbone interact. energy: -0.781
local terms energy: -49.564362
where:
bonds (distance) C4'-P energy: -10.802
bonds (distance) P-C4' energy: -10.361
flat angles C4'-P-C4' energy: -10.991
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -9.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -138.017945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.017945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.017945 (E_RNA)
where:
Base-Base interactions energy: -82.915
where: short stacking energy: -35.175
Base-Backbone interact. energy: -0.013
local terms energy: -55.089578
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -7.115
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -12.762
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: 3
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -64.663131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.663131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.663131 (E_RNA)
where:
Base-Base interactions energy: -27.729
where: short stacking energy: -20.446
Base-Backbone interact. energy: -0.042
local terms energy: -36.892368
where:
bonds (distance) C4'-P energy: -10.073
bonds (distance) P-C4' energy: -9.119
flat angles C4'-P-C4' energy: -9.768
flat angles P-C4'-P energy: -4.724
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: 8, replica: 5
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -76.534480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.534480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.534480 (E_RNA)
where:
Base-Base interactions energy: -35.730
where: short stacking energy: -17.727
Base-Backbone interact. energy: -0.081
local terms energy: -40.723359
where:
bonds (distance) C4'-P energy: -10.916
bonds (distance) P-C4' energy: -9.731
flat angles C4'-P-C4' energy: -8.963
flat angles P-C4'-P energy: -8.991
tors. eta vs tors. theta energy: -2.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -67.689442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.689442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.689442 (E_RNA)
where:
Base-Base interactions energy: -21.860
where: short stacking energy: -21.860
Base-Backbone interact. energy: -0.023
local terms energy: -45.806542
where:
bonds (distance) C4'-P energy: -8.624
bonds (distance) P-C4' energy: -10.547
flat angles C4'-P-C4' energy: -10.671
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -7.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -53.122958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.122958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.122958 (E_RNA)
where:
Base-Base interactions energy: -15.933
where: short stacking energy: -15.933
Base-Backbone interact. energy: -0.218
local terms energy: -36.972235
where:
bonds (distance) C4'-P energy: -9.258
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -10.327
flat angles P-C4'-P energy: -7.252
tors. eta vs tors. theta energy: 2.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -149.759875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.759875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.759875 (E_RNA)
where:
Base-Base interactions energy: -91.174
where: short stacking energy: -40.691
Base-Backbone interact. energy: -0.016
local terms energy: -58.570055
where:
bonds (distance) C4'-P energy: -12.999
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -8.816
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: 10
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -145.837415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.837415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.837415 (E_RNA)
where:
Base-Base interactions energy: -91.324
where: short stacking energy: -35.678
Base-Backbone interact. energy: -0.105
local terms energy: -54.408589
where:
bonds (distance) C4'-P energy: -11.682
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -9.494
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -10.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -146.605869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.605869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.605869 (E_RNA)
where:
Base-Base interactions energy: -97.089
where: short stacking energy: -39.189
Base-Backbone interact. energy: -0.164
local terms energy: -49.352498
where:
bonds (distance) C4'-P energy: -12.854
bonds (distance) P-C4' energy: -11.719
flat angles C4'-P-C4' energy: -10.239
flat angles P-C4'-P energy: -1.490
tors. eta vs tors. theta energy: -13.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -154.301957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.301957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.301957 (E_RNA)
where:
Base-Base interactions energy: -101.006
where: short stacking energy: -44.946
Base-Backbone interact. energy: -0.793
local terms energy: -52.502351
where:
bonds (distance) C4'-P energy: -10.421
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -9.967
flat angles P-C4'-P energy: -8.039
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: 6
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -134.112722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.112722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.112722 (E_RNA)
where:
Base-Base interactions energy: -80.418
where: short stacking energy: -35.862
Base-Backbone interact. energy: -0.055
local terms energy: -53.639713
where:
bonds (distance) C4'-P energy: -8.981
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -11.377
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -11.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -132.257346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.257346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.257346 (E_RNA)
where:
Base-Base interactions energy: -86.363
where: short stacking energy: -27.994
Base-Backbone interact. energy: -0.027
local terms energy: -45.867756
where:
bonds (distance) C4'-P energy: -12.109
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -11.932
flat angles P-C4'-P energy: -3.178
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: 7, replica: 5
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -90.823052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.823052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.823052 (E_RNA)
where:
Base-Base interactions energy: -45.991
where: short stacking energy: -21.384
Base-Backbone interact. energy: -0.052
local terms energy: -44.780233
where:
bonds (distance) C4'-P energy: -9.228
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -5.860
tors. eta vs tors. theta energy: -2.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -75.891822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.891822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.891822 (E_RNA)
where:
Base-Base interactions energy: -35.404
where: short stacking energy: -17.600
Base-Backbone interact. energy: -0.011
local terms energy: -40.476510
where:
bonds (distance) C4'-P energy: -11.498
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -7.179
flat angles P-C4'-P energy: -5.764
tors. eta vs tors. theta energy: -2.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -55.146653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.146653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.146653 (E_RNA)
where:
Base-Base interactions energy: -11.763
where: short stacking energy: -11.722
Base-Backbone interact. energy: -0.621
local terms energy: -42.762104
where:
bonds (distance) C4'-P energy: -12.101
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -7.001
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -2.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -55.304719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.304719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.304719 (E_RNA)
where:
Base-Base interactions energy: -16.093
where: short stacking energy: -14.926
Base-Backbone interact. energy: -0.332
local terms energy: -38.878874
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -10.388
flat angles P-C4'-P energy: -6.191
tors. eta vs tors. theta energy: 2.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -142.526875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.526875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.526875 (E_RNA)
where:
Base-Base interactions energy: -89.403
where: short stacking energy: -27.253
Base-Backbone interact. energy: -0.498
local terms energy: -52.625170
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -8.648
flat angles P-C4'-P energy: -4.831
tors. eta vs tors. theta energy: -13.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -143.795826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.795826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.795826 (E_RNA)
where:
Base-Base interactions energy: -92.289
where: short stacking energy: -35.946
Base-Backbone interact. energy: -0.080
local terms energy: -51.426828
where:
bonds (distance) C4'-P energy: -10.139
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -11.886
flat angles P-C4'-P energy: -2.196
tors. eta vs tors. theta energy: -15.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -142.981093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.981093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.981093 (E_RNA)
where:
Base-Base interactions energy: -91.559
where: short stacking energy: -32.574
Base-Backbone interact. energy: -0.204
local terms energy: -51.217814
where:
bonds (distance) C4'-P energy: -10.217
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -9.617
flat angles P-C4'-P energy: -7.065
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: 4, replica: 6
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -133.574265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.574265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.574265 (E_RNA)
where:
Base-Base interactions energy: -79.091
where: short stacking energy: -31.211
Base-Backbone interact. energy: -0.010
local terms energy: -54.472477
where:
bonds (distance) C4'-P energy: -11.716
bonds (distance) P-C4' energy: -13.618
flat angles C4'-P-C4' energy: -10.773
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -8.384
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: 5, replica: 8
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -126.061252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.061252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.061252 (E_RNA)
where:
Base-Base interactions energy: -82.962
where: short stacking energy: -32.730
Base-Backbone interact. energy: 0.128
local terms energy: -43.226595
where:
bonds (distance) C4'-P energy: -9.203
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -8.375
flat angles P-C4'-P energy: -5.916
tors. eta vs tors. theta energy: -8.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -89.035426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.035426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.035426 (E_RNA)
where:
Base-Base interactions energy: -46.578
where: short stacking energy: -27.528
Base-Backbone interact. energy: 0.472
local terms energy: -42.929515
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -10.640
flat angles C4'-P-C4' energy: -11.453
flat angles P-C4'-P energy: -1.427
tors. eta vs tors. theta energy: -6.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -118.848138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.848138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.848138 (E_RNA)
where:
Base-Base interactions energy: -76.503
where: short stacking energy: -34.914
Base-Backbone interact. energy: -0.084
local terms energy: -42.261809
where:
bonds (distance) C4'-P energy: -7.704
bonds (distance) P-C4' energy: -11.387
flat angles C4'-P-C4' energy: -9.708
flat angles P-C4'-P energy: -5.742
tors. eta vs tors. theta energy: -7.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -80.885990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.885990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.885990 (E_RNA)
where:
Base-Base interactions energy: -33.710
where: short stacking energy: -20.105
Base-Backbone interact. energy: -0.019
local terms energy: -47.157101
where:
bonds (distance) C4'-P energy: -7.838
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -11.114
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -6.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -68.388071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.388071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.388071 (E_RNA)
where:
Base-Base interactions energy: -22.615
where: short stacking energy: -19.313
Base-Backbone interact. energy: -0.474
local terms energy: -45.298247
where:
bonds (distance) C4'-P energy: -11.488
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -9.532
flat angles P-C4'-P energy: -6.460
tors. eta vs tors. theta energy: -5.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -57.205378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.205378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.205378 (E_RNA)
where:
Base-Base interactions energy: -14.480
where: short stacking energy: -14.480
Base-Backbone interact. energy: -0.144
local terms energy: -42.581313
where:
bonds (distance) C4'-P energy: -10.788
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -5.871
tors. eta vs tors. theta energy: -1.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -144.921220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.921220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.921220 (E_RNA)
where:
Base-Base interactions energy: -93.067
where: short stacking energy: -34.204
Base-Backbone interact. energy: -0.091
local terms energy: -51.763385
where:
bonds (distance) C4'-P energy: -13.363
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -10.649
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -7.022
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: 4
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -136.578575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.578575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.578575 (E_RNA)
where:
Base-Base interactions energy: -86.207
where: short stacking energy: -31.262
Base-Backbone interact. energy: -0.031
local terms energy: -50.340363
where:
bonds (distance) C4'-P energy: -10.599
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -4.021
tors. eta vs tors. theta energy: -8.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -145.376452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.376452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.376452 (E_RNA)
where:
Base-Base interactions energy: -97.074
where: short stacking energy: -34.555
Base-Backbone interact. energy: -0.064
local terms energy: -48.237883
where:
bonds (distance) C4'-P energy: -11.840
bonds (distance) P-C4' energy: -10.621
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -3.442
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: 4, replica: 6
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -130.624505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.624505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.624505 (E_RNA)
where:
Base-Base interactions energy: -80.723
where: short stacking energy: -35.725
Base-Backbone interact. energy: -0.133
local terms energy: -49.768004
where:
bonds (distance) C4'-P energy: -11.427
bonds (distance) P-C4' energy: -12.350
flat angles C4'-P-C4' energy: -10.111
flat angles P-C4'-P energy: -6.751
tors. eta vs tors. theta energy: -9.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -140.993962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.993962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.993962 (E_RNA)
where:
Base-Base interactions energy: -92.380
where: short stacking energy: -34.331
Base-Backbone interact. energy: -0.094
local terms energy: -48.519558
where:
bonds (distance) C4'-P energy: -10.848
bonds (distance) P-C4' energy: -9.498
flat angles C4'-P-C4' energy: -10.327
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -9.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -71.218740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.218740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.218740 (E_RNA)
where:
Base-Base interactions energy: -23.784
where: short stacking energy: -23.784
Base-Backbone interact. energy: -0.007
local terms energy: -47.427769
where:
bonds (distance) C4'-P energy: -8.065
bonds (distance) P-C4' energy: -12.465
flat angles C4'-P-C4' energy: -12.226
flat angles P-C4'-P energy: -8.227
tors. eta vs tors. theta energy: -6.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -129.333789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.333789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.333789 (E_RNA)
where:
Base-Base interactions energy: -86.047
where: short stacking energy: -36.558
Base-Backbone interact. energy: -0.024
local terms energy: -43.262569
where:
bonds (distance) C4'-P energy: -9.223
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -9.272
flat angles P-C4'-P energy: -3.687
tors. eta vs tors. theta energy: -8.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -66.076097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.076097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.076097 (E_RNA)
where:
Base-Base interactions energy: -28.414
where: short stacking energy: -24.981
Base-Backbone interact. energy: 1.582
local terms energy: -39.243788
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -10.853
flat angles C4'-P-C4' energy: -7.985
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: -1.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -60.082546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.082546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.082546 (E_RNA)
where:
Base-Base interactions energy: -18.967
where: short stacking energy: -15.411
Base-Backbone interact. energy: -0.546
local terms energy: -40.568946
where:
bonds (distance) C4'-P energy: -9.944
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -9.540
flat angles P-C4'-P energy: -4.869
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: 10, replica: 2
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -61.949061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.949061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.949061 (E_RNA)
where:
Base-Base interactions energy: -14.789
where: short stacking energy: -11.888
Base-Backbone interact. energy: -0.207
local terms energy: -46.953173
where:
bonds (distance) C4'-P energy: -14.001
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -11.945
flat angles P-C4'-P energy: -5.413
tors. eta vs tors. theta energy: -2.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -141.986688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.986688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.986688 (E_RNA)
where:
Base-Base interactions energy: -94.331
where: short stacking energy: -38.655
Base-Backbone interact. energy: -0.060
local terms energy: -47.595424
where:
bonds (distance) C4'-P energy: -9.722
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -10.155
flat angles P-C4'-P energy: -6.926
tors. eta vs tors. theta energy: -7.017
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: 2, replica: 1
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -149.438026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.438026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.438026 (E_RNA)
where:
Base-Base interactions energy: -96.354
where: short stacking energy: -38.154
Base-Backbone interact. energy: -0.076
local terms energy: -53.007467
where:
bonds (distance) C4'-P energy: -11.335
bonds (distance) P-C4' energy: -12.068
flat angles C4'-P-C4' energy: -11.687
flat angles P-C4'-P energy: -8.523
tors. eta vs tors. theta energy: -9.394
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: 3, replica: 4
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -148.494173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.494173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.494173 (E_RNA)
where:
Base-Base interactions energy: -93.947
where: short stacking energy: -46.951
Base-Backbone interact. energy: -0.006
local terms energy: -54.541141
where:
bonds (distance) C4'-P energy: -12.052
bonds (distance) P-C4' energy: -8.733
flat angles C4'-P-C4' energy: -11.433
flat angles P-C4'-P energy: -6.473
tors. eta vs tors. theta energy: -15.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -134.890411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.890411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.890411 (E_RNA)
where:
Base-Base interactions energy: -87.130
where: short stacking energy: -31.411
Base-Backbone interact. energy: -0.082
local terms energy: -47.679140
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -9.222
flat angles C4'-P-C4' energy: -10.549
flat angles P-C4'-P energy: -6.738
tors. eta vs tors. theta energy: -8.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -129.806654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.806654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.806654 (E_RNA)
where:
Base-Base interactions energy: -83.988
where: short stacking energy: -33.413
Base-Backbone interact. energy: -0.036
local terms energy: -45.782553
where:
bonds (distance) C4'-P energy: -8.288
bonds (distance) P-C4' energy: -11.760
flat angles C4'-P-C4' energy: -11.233
flat angles P-C4'-P energy: -5.399
tors. eta vs tors. theta energy: -9.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -121.240740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.240740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.240740 (E_RNA)
where:
Base-Base interactions energy: -72.362
where: short stacking energy: -27.098
Base-Backbone interact. energy: -0.262
local terms energy: -48.616830
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -11.436
flat angles C4'-P-C4' energy: -9.922
flat angles P-C4'-P energy: -6.527
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: 7, replica: 5
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -61.330917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.330917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.330917 (E_RNA)
where:
Base-Base interactions energy: -19.653
where: short stacking energy: -16.156
Base-Backbone interact. energy: -0.786
local terms energy: -40.892531
where:
bonds (distance) C4'-P energy: -12.523
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -9.631
flat angles P-C4'-P energy: -5.754
tors. eta vs tors. theta energy: -1.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -71.954492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.954492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.954492 (E_RNA)
where:
Base-Base interactions energy: -30.770
where: short stacking energy: -18.758
Base-Backbone interact. energy: -0.610
local terms energy: -40.574119
where:
bonds (distance) C4'-P energy: -12.685
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -10.458
flat angles P-C4'-P energy: -4.622
tors. eta vs tors. theta energy: -1.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -56.058520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.058520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.058520 (E_RNA)
where:
Base-Base interactions energy: -20.941
where: short stacking energy: -20.458
Base-Backbone interact. energy: -0.073
local terms energy: -35.044598
where:
bonds (distance) C4'-P energy: -8.032
bonds (distance) P-C4' energy: -8.998
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -2.089
tors. eta vs tors. theta energy: -2.289
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: 2
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -64.710735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.710735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.710735 (E_RNA)
where:
Base-Base interactions energy: -26.567
where: short stacking energy: -26.567
Base-Backbone interact. energy: -0.006
local terms energy: -38.138173
where:
bonds (distance) C4'-P energy: -9.606
bonds (distance) P-C4' energy: -10.799
flat angles C4'-P-C4' energy: -10.324
flat angles P-C4'-P energy: -5.443
tors. eta vs tors. theta energy: -1.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -144.776066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.776066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.776066 (E_RNA)
where:
Base-Base interactions energy: -91.455
where: short stacking energy: -38.318
Base-Backbone interact. energy: -0.948
local terms energy: -52.373028
where:
bonds (distance) C4'-P energy: -11.786
bonds (distance) P-C4' energy: -11.069
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -6.580
tors. eta vs tors. theta energy: -10.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -147.552790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.552790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.552790 (E_RNA)
where:
Base-Base interactions energy: -97.427
where: short stacking energy: -30.213
Base-Backbone interact. energy: -0.098
local terms energy: -50.028278
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -3.361
tors. eta vs tors. theta energy: -8.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -140.517546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.517546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.517546 (E_RNA)
where:
Base-Base interactions energy: -86.122
where: short stacking energy: -44.480
Base-Backbone interact. energy: -0.005
local terms energy: -54.390507
where:
bonds (distance) C4'-P energy: -10.114
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -9.875
flat angles P-C4'-P energy: -6.479
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: 4, replica: 8
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -122.784847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.784847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.784847 (E_RNA)
where:
Base-Base interactions energy: -75.293
where: short stacking energy: -29.846
Base-Backbone interact. energy: -0.033
local terms energy: -47.458970
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -11.729
flat angles P-C4'-P energy: -5.515
tors. eta vs tors. theta energy: -6.081
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: 7
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -127.546670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.546670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.546670 (E_RNA)
where:
Base-Base interactions energy: -83.464
where: short stacking energy: -36.371
Base-Backbone interact. energy: -0.072
local terms energy: -44.010760
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -10.354
flat angles C4'-P-C4' energy: -7.979
flat angles P-C4'-P energy: -7.342
tors. eta vs tors. theta energy: -7.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -127.768259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.768259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.768259 (E_RNA)
where:
Base-Base interactions energy: -80.094
where: short stacking energy: -31.770
Base-Backbone interact. energy: -0.178
local terms energy: -47.496310
where:
bonds (distance) C4'-P energy: -9.962
bonds (distance) P-C4' energy: -11.980
flat angles C4'-P-C4' energy: -9.912
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -8.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -61.549583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.549583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.549583 (E_RNA)
where:
Base-Base interactions energy: -23.230
where: short stacking energy: -15.426
Base-Backbone interact. energy: -0.305
local terms energy: -38.014182
where:
bonds (distance) C4'-P energy: -10.350
bonds (distance) P-C4' energy: -11.018
flat angles C4'-P-C4' energy: -2.772
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -3.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -64.291931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.291931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.291931 (E_RNA)
where:
Base-Base interactions energy: -24.734
where: short stacking energy: -21.281
Base-Backbone interact. energy: -0.119
local terms energy: -39.439122
where:
bonds (distance) C4'-P energy: -11.583
bonds (distance) P-C4' energy: -9.908
flat angles C4'-P-C4' energy: -8.916
flat angles P-C4'-P energy: -5.710
tors. eta vs tors. theta energy: -3.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -67.796617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.796617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.796617 (E_RNA)
where:
Base-Base interactions energy: -33.787
where: short stacking energy: -21.706
Base-Backbone interact. energy: -0.146
local terms energy: -33.863148
where:
bonds (distance) C4'-P energy: -4.902
bonds (distance) P-C4' energy: -7.107
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -5.489
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: 10, replica: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -61.802534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.802534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.802534 (E_RNA)
where:
Base-Base interactions energy: -31.183
where: short stacking energy: -20.720
Base-Backbone interact. energy: -0.156
local terms energy: -30.462841
where:
bonds (distance) C4'-P energy: -10.395
bonds (distance) P-C4' energy: -7.180
flat angles C4'-P-C4' energy: -7.182
flat angles P-C4'-P energy: -2.559
tors. eta vs tors. theta energy: -3.147
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: 1
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -139.450715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.450715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.450715 (E_RNA)
where:
Base-Base interactions energy: -91.985
where: short stacking energy: -34.479
Base-Backbone interact. energy: -0.064
local terms energy: -47.401379
where:
bonds (distance) C4'-P energy: -8.727
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -10.263
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -7.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -145.447079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.447079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.447079 (E_RNA)
where:
Base-Base interactions energy: -93.689
where: short stacking energy: -37.193
Base-Backbone interact. energy: -0.093
local terms energy: -51.664861
where:
bonds (distance) C4'-P energy: -10.011
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -4.870
tors. eta vs tors. theta energy: -9.719
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: 4
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -151.574229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.574229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.574229 (E_RNA)
where:
Base-Base interactions energy: -105.665
where: short stacking energy: -38.888
Base-Backbone interact. energy: -0.005
local terms energy: -45.903701
where:
bonds (distance) C4'-P energy: -10.668
bonds (distance) P-C4' energy: -12.070
flat angles C4'-P-C4' energy: -6.665
flat angles P-C4'-P energy: -5.534
tors. eta vs tors. theta energy: -10.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -127.678245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.678245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.678245 (E_RNA)
where:
Base-Base interactions energy: -81.485
where: short stacking energy: -26.191
Base-Backbone interact. energy: -2.127
local terms energy: -44.065634
where:
bonds (distance) C4'-P energy: -13.335
bonds (distance) P-C4' energy: -9.358
flat angles C4'-P-C4' energy: -7.877
flat angles P-C4'-P energy: -6.720
tors. eta vs tors. theta energy: -6.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -135.801336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.801336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.801336 (E_RNA)
where:
Base-Base interactions energy: -89.033
where: short stacking energy: -26.674
Base-Backbone interact. energy: -0.070
local terms energy: -46.697442
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -7.642
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -5.024
tors. eta vs tors. theta energy: -10.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -126.410597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.410597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.410597 (E_RNA)
where:
Base-Base interactions energy: -77.172
where: short stacking energy: -30.907
Base-Backbone interact. energy: -0.122
local terms energy: -49.117142
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -5.575
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -9.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -64.390035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.390035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.390035 (E_RNA)
where:
Base-Base interactions energy: -19.692
where: short stacking energy: -19.692
Base-Backbone interact. energy: -0.254
local terms energy: -44.444929
where:
bonds (distance) C4'-P energy: -11.095
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -10.250
flat angles P-C4'-P energy: -8.121
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: 8, replica: 2
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -66.685787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.685787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.685787 (E_RNA)
where:
Base-Base interactions energy: -33.161
where: short stacking energy: -14.508
Base-Backbone interact. energy: -1.119
local terms energy: -32.405460
where:
bonds (distance) C4'-P energy: -8.578
bonds (distance) P-C4' energy: -10.176
flat angles C4'-P-C4' energy: -11.614
flat angles P-C4'-P energy: -2.568
tors. eta vs tors. theta energy: 0.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -57.755046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.755046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.755046 (E_RNA)
where:
Base-Base interactions energy: -17.107
where: short stacking energy: -13.171
Base-Backbone interact. energy: -0.116
local terms energy: -40.532007
where:
bonds (distance) C4'-P energy: -7.741
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -8.887
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: 10, replica: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -62.561704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.561704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.561704 (E_RNA)
where:
Base-Base interactions energy: -25.308
where: short stacking energy: -15.690
Base-Backbone interact. energy: 0.102
local terms energy: -37.356031
where:
bonds (distance) C4'-P energy: -9.748
bonds (distance) P-C4' energy: -13.368
flat angles C4'-P-C4' energy: -8.735
flat angles P-C4'-P energy: -2.068
tors. eta vs tors. theta energy: -3.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -146.677432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.677432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.677432 (E_RNA)
where:
Base-Base interactions energy: -96.010
where: short stacking energy: -36.181
Base-Backbone interact. energy: -0.015
local terms energy: -50.652262
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -9.559
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -3.347
tors. eta vs tors. theta energy: -12.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -144.909580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.909580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.909580 (E_RNA)
where:
Base-Base interactions energy: -85.460
where: short stacking energy: -37.451
Base-Backbone interact. energy: -0.053
local terms energy: -59.396928
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -11.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -149.890338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.890338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.890338 (E_RNA)
where:
Base-Base interactions energy: -100.516
where: short stacking energy: -37.088
Base-Backbone interact. energy: -0.015
local terms energy: -49.358975
where:
bonds (distance) C4'-P energy: -10.922
bonds (distance) P-C4' energy: -11.138
flat angles C4'-P-C4' energy: -9.613
flat angles P-C4'-P energy: -5.776
tors. eta vs tors. theta energy: -11.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -131.693231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.693231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.693231 (E_RNA)
where:
Base-Base interactions energy: -85.510
where: short stacking energy: -40.346
Base-Backbone interact. energy: -0.158
local terms energy: -46.025185
where:
bonds (distance) C4'-P energy: -8.834
bonds (distance) P-C4' energy: -6.301
flat angles C4'-P-C4' energy: -10.861
flat angles P-C4'-P energy: -5.557
tors. eta vs tors. theta energy: -14.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -133.272498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.272498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.272498 (E_RNA)
where:
Base-Base interactions energy: -87.184
where: short stacking energy: -29.056
Base-Backbone interact. energy: -0.001
local terms energy: -46.086857
where:
bonds (distance) C4'-P energy: -10.449
bonds (distance) P-C4' energy: -8.712
flat angles C4'-P-C4' energy: -12.469
flat angles P-C4'-P energy: -4.729
tors. eta vs tors. theta energy: -9.728
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: 6, replica: 7
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -127.497975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.497975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.497975 (E_RNA)
where:
Base-Base interactions energy: -80.145
where: short stacking energy: -30.448
Base-Backbone interact. energy: -0.012
local terms energy: -47.341293
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -9.455
flat angles C4'-P-C4' energy: -9.574
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -6.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -64.796860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.796860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.796860 (E_RNA)
where:
Base-Base interactions energy: -29.664
where: short stacking energy: -18.582
Base-Backbone interact. energy: -0.099
local terms energy: -35.033916
where:
bonds (distance) C4'-P energy: -7.849
bonds (distance) P-C4' energy: -10.470
flat angles C4'-P-C4' energy: -10.810
flat angles P-C4'-P energy: -4.488
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: 8, replica: 3
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -63.343320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.343320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.343320 (E_RNA)
where:
Base-Base interactions energy: -25.186
where: short stacking energy: -15.316
Base-Backbone interact. energy: 0.140
local terms energy: -38.297391
where:
bonds (distance) C4'-P energy: -11.253
bonds (distance) P-C4' energy: -10.974
flat angles C4'-P-C4' energy: -8.689
flat angles P-C4'-P energy: -2.213
tors. eta vs tors. theta energy: -5.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -69.236996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.236996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.236996 (E_RNA)
where:
Base-Base interactions energy: -34.422
where: short stacking energy: -24.362
Base-Backbone interact. energy: -0.415
local terms energy: -34.399726
where:
bonds (distance) C4'-P energy: -6.804
bonds (distance) P-C4' energy: -8.051
flat angles C4'-P-C4' energy: -11.357
flat angles P-C4'-P energy: -8.400
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: 10, replica: 9
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -60.392419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.392419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.392419 (E_RNA)
where:
Base-Base interactions energy: -20.970
where: short stacking energy: -17.705
Base-Backbone interact. energy: -0.017
local terms energy: -39.405827
where:
bonds (distance) C4'-P energy: -10.648
bonds (distance) P-C4' energy: -12.706
flat angles C4'-P-C4' energy: -9.112
flat angles P-C4'-P energy: -7.518
tors. eta vs tors. theta energy: 0.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -156.856548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.856548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.856548 (E_RNA)
where:
Base-Base interactions energy: -107.691
where: short stacking energy: -39.418
Base-Backbone interact. energy: -0.095
local terms energy: -49.070491
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -10.765
flat angles C4'-P-C4' energy: -7.767
flat angles P-C4'-P energy: -4.951
tors. eta vs tors. theta energy: -13.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -150.271750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.271750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.271750 (E_RNA)
where:
Base-Base interactions energy: -87.623
where: short stacking energy: -42.492
Base-Backbone interact. energy: -0.000
local terms energy: -62.648236
where:
bonds (distance) C4'-P energy: -13.662
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -12.315
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -14.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -144.935650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.935650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.935650 (E_RNA)
where:
Base-Base interactions energy: -89.657
where: short stacking energy: -36.768
Base-Backbone interact. energy: -0.001
local terms energy: -55.276902
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -9.615
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -11.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -146.786025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.786025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.786025 (E_RNA)
where:
Base-Base interactions energy: -98.873
where: short stacking energy: -45.956
Base-Backbone interact. energy: -0.020
local terms energy: -47.892386
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -6.573
flat angles C4'-P-C4' energy: -10.857
flat angles P-C4'-P energy: -7.980
tors. eta vs tors. theta energy: -9.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -116.740909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.740909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.740909 (E_RNA)
where:
Base-Base interactions energy: -70.916
where: short stacking energy: -31.161
Base-Backbone interact. energy: -1.028
local terms energy: -44.797156
where:
bonds (distance) C4'-P energy: -10.951
bonds (distance) P-C4' energy: -11.345
flat angles C4'-P-C4' energy: -11.702
flat angles P-C4'-P energy: -6.292
tors. eta vs tors. theta energy: -4.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -110.218929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.218929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.218929 (E_RNA)
where:
Base-Base interactions energy: -64.940
where: short stacking energy: -30.244
Base-Backbone interact. energy: -0.221
local terms energy: -45.057545
where:
bonds (distance) C4'-P energy: -11.294
bonds (distance) P-C4' energy: -11.162
flat angles C4'-P-C4' energy: -9.201
flat angles P-C4'-P energy: -6.660
tors. eta vs tors. theta energy: -6.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -69.801147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.801147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.801147 (E_RNA)
where:
Base-Base interactions energy: -33.085
where: short stacking energy: -13.637
Base-Backbone interact. energy: -0.089
local terms energy: -36.627648
where:
bonds (distance) C4'-P energy: -11.141
bonds (distance) P-C4' energy: -7.384
flat angles C4'-P-C4' energy: -11.691
flat angles P-C4'-P energy: -4.558
tors. eta vs tors. theta energy: -1.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -61.934305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.934305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.934305 (E_RNA)
where:
Base-Base interactions energy: -20.053
where: short stacking energy: -9.999
Base-Backbone interact. energy: -0.996
local terms energy: -40.885179
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -10.555
flat angles P-C4'-P energy: -6.410
tors. eta vs tors. theta energy: 1.757
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: 5
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -64.803689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.803689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.803689 (E_RNA)
where:
Base-Base interactions energy: -35.498
where: short stacking energy: -17.672
Base-Backbone interact. energy: 0.672
local terms energy: -29.978308
where:
bonds (distance) C4'-P energy: -7.874
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -1.816
flat angles P-C4'-P energy: -5.102
tors. eta vs tors. theta energy: -2.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -55.982125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.982125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.982125 (E_RNA)
where:
Base-Base interactions energy: -22.589
where: short stacking energy: -20.073
Base-Backbone interact. energy: 0.065
local terms energy: -33.458504
where:
bonds (distance) C4'-P energy: -8.130
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -10.169
flat angles P-C4'-P energy: -1.379
tors. eta vs tors. theta energy: -0.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -153.615468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.615468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.615468 (E_RNA)
where:
Base-Base interactions energy: -100.742
where: short stacking energy: -44.523
Base-Backbone interact. energy: 0.091
local terms energy: -52.963846
where:
bonds (distance) C4'-P energy: -9.302
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -11.598
flat angles P-C4'-P energy: -8.276
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: 2, replica: 1
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -150.931283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.931283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.931283 (E_RNA)
where:
Base-Base interactions energy: -97.887
where: short stacking energy: -36.917
Base-Backbone interact. energy: -0.044
local terms energy: -53.000092
where:
bonds (distance) C4'-P energy: -10.888
bonds (distance) P-C4' energy: -10.264
flat angles C4'-P-C4' energy: -10.901
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -10.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -142.526878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.526878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.526878 (E_RNA)
where:
Base-Base interactions energy: -92.940
where: short stacking energy: -38.078
Base-Backbone interact. energy: -0.360
local terms energy: -49.227316
where:
bonds (distance) C4'-P energy: -12.254
bonds (distance) P-C4' energy: -7.969
flat angles C4'-P-C4' energy: -10.434
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: -10.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -144.288932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.288932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.288932 (E_RNA)
where:
Base-Base interactions energy: -84.898
where: short stacking energy: -35.084
Base-Backbone interact. energy: -0.042
local terms energy: -59.349692
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -13.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -126.735033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.735033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.735033 (E_RNA)
where:
Base-Base interactions energy: -75.267
where: short stacking energy: -34.295
Base-Backbone interact. energy: -0.002
local terms energy: -51.466475
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -11.612
flat angles C4'-P-C4' energy: -10.109
flat angles P-C4'-P energy: -4.177
tors. eta vs tors. theta energy: -12.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -73.207508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.207508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.207508 (E_RNA)
where:
Base-Base interactions energy: -26.811
where: short stacking energy: -20.394
Base-Backbone interact. energy: -1.069
local terms energy: -45.327160
where:
bonds (distance) C4'-P energy: -6.651
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -11.420
flat angles P-C4'-P energy: -4.530
tors. eta vs tors. theta energy: -10.814
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: 62
Temperature: 1.200000
Total energy: -78.780838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.780838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.780838 (E_RNA)
where:
Base-Base interactions energy: -54.340
where: short stacking energy: -10.717
Base-Backbone interact. energy: -0.279
local terms energy: -24.161069
where:
bonds (distance) C4'-P energy: -11.045
bonds (distance) P-C4' energy: -10.376
flat angles C4'-P-C4' energy: -6.841
flat angles P-C4'-P energy: -1.737
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: 3
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -78.692943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.692943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.692943 (E_RNA)
where:
Base-Base interactions energy: -52.251
where: short stacking energy: -20.943
Base-Backbone interact. energy: -0.089
local terms energy: -26.352368
where:
bonds (distance) C4'-P energy: -8.031
bonds (distance) P-C4' energy: -7.742
flat angles C4'-P-C4' energy: -5.178
flat angles P-C4'-P energy: -6.776
tors. eta vs tors. theta energy: 1.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -53.907158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.907158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.907158 (E_RNA)
where:
Base-Base interactions energy: -10.890
where: short stacking energy: -9.656
Base-Backbone interact. energy: -0.222
local terms energy: -42.795102
where:
bonds (distance) C4'-P energy: -11.638
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -4.627
tors. eta vs tors. theta energy: -2.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -66.751244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.751244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.751244 (E_RNA)
where:
Base-Base interactions energy: -37.724
where: short stacking energy: -7.008
Base-Backbone interact. energy: -0.324
local terms energy: -28.703606
where:
bonds (distance) C4'-P energy: -10.180
bonds (distance) P-C4' energy: -8.978
flat angles C4'-P-C4' energy: -6.816
flat angles P-C4'-P energy: -6.787
tors. eta vs tors. theta energy: 4.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -156.660498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.660498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.660498 (E_RNA)
where:
Base-Base interactions energy: -100.334
where: short stacking energy: -43.572
Base-Backbone interact. energy: -0.868
local terms energy: -55.458445
where:
bonds (distance) C4'-P energy: -11.278
bonds (distance) P-C4' energy: -10.802
flat angles C4'-P-C4' energy: -11.451
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -12.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -154.405871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.405871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.405871 (E_RNA)
where:
Base-Base interactions energy: -101.992
where: short stacking energy: -32.415
Base-Backbone interact. energy: -0.097
local terms energy: -52.316651
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -6.114
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -10.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -145.562428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.562428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.562428 (E_RNA)
where:
Base-Base interactions energy: -96.577
where: short stacking energy: -35.194
Base-Backbone interact. energy: -0.107
local terms energy: -48.878449
where:
bonds (distance) C4'-P energy: -11.142
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -10.050
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -6.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -134.843683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.843683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.843683 (E_RNA)
where:
Base-Base interactions energy: -86.804
where: short stacking energy: -35.373
Base-Backbone interact. energy: -0.007
local terms energy: -48.032091
where:
bonds (distance) C4'-P energy: -12.312
bonds (distance) P-C4' energy: -6.619
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -8.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -126.610399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.610399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.610399 (E_RNA)
where:
Base-Base interactions energy: -80.842
where: short stacking energy: -26.041
Base-Backbone interact. energy: -0.199
local terms energy: -45.569755
where:
bonds (distance) C4'-P energy: -9.559
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -11.788
flat angles P-C4'-P energy: -7.596
tors. eta vs tors. theta energy: -4.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -108.977021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.977021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.977021 (E_RNA)
where:
Base-Base interactions energy: -59.859
where: short stacking energy: -32.093
Base-Backbone interact. energy: -0.196
local terms energy: -48.922287
where:
bonds (distance) C4'-P energy: -11.787
bonds (distance) P-C4' energy: -10.845
flat angles C4'-P-C4' energy: -7.171
flat angles P-C4'-P energy: -7.351
tors. eta vs tors. theta energy: -11.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -65.894565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.894565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.894565 (E_RNA)
where:
Base-Base interactions energy: -23.354
where: short stacking energy: -23.354
Base-Backbone interact. energy: -0.047
local terms energy: -42.493383
where:
bonds (distance) C4'-P energy: -11.360
bonds (distance) P-C4' energy: -8.884
flat angles C4'-P-C4' energy: -7.714
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -6.497
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: 9
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -68.637651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.637651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.637651 (E_RNA)
where:
Base-Base interactions energy: -29.498
where: short stacking energy: -20.416
Base-Backbone interact. energy: -0.084
local terms energy: -39.054825
where:
bonds (distance) C4'-P energy: -7.724
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -9.301
flat angles P-C4'-P energy: -6.260
tors. eta vs tors. theta energy: -2.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -63.241636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.241636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.241636 (E_RNA)
where:
Base-Base interactions energy: -27.554
where: short stacking energy: -14.966
Base-Backbone interact. energy: -0.279
local terms energy: -35.408794
where:
bonds (distance) C4'-P energy: -12.117
bonds (distance) P-C4' energy: -7.023
flat angles C4'-P-C4' energy: -10.566
flat angles P-C4'-P energy: -5.294
tors. eta vs tors. theta energy: -0.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -64.927439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.927439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.927439 (E_RNA)
where:
Base-Base interactions energy: -33.819
where: short stacking energy: -11.455
Base-Backbone interact. energy: -0.106
local terms energy: -31.003073
where:
bonds (distance) C4'-P energy: -8.471
bonds (distance) P-C4' energy: -10.126
flat angles C4'-P-C4' energy: -8.304
flat angles P-C4'-P energy: -2.676
tors. eta vs tors. theta energy: -1.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -150.275271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.275271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.275271 (E_RNA)
where:
Base-Base interactions energy: -98.085
where: short stacking energy: -39.672
Base-Backbone interact. energy: -0.164
local terms energy: -52.026176
where:
bonds (distance) C4'-P energy: -9.145
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -6.353
tors. eta vs tors. theta energy: -11.672
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: 2, replica: 10
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -150.504667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.504667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.504667 (E_RNA)
where:
Base-Base interactions energy: -95.770
where: short stacking energy: -47.827
Base-Backbone interact. energy: -0.112
local terms energy: -54.623130
where:
bonds (distance) C4'-P energy: -10.044
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -5.223
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: 3, replica: 8
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -143.364321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.364321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.364321 (E_RNA)
where:
Base-Base interactions energy: -96.231
where: short stacking energy: -27.093
Base-Backbone interact. energy: -0.100
local terms energy: -47.033788
where:
bonds (distance) C4'-P energy: -10.838
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -10.679
flat angles P-C4'-P energy: -3.268
tors. eta vs tors. theta energy: -11.365
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: 4
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -141.631749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.631749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.631749 (E_RNA)
where:
Base-Base interactions energy: -89.983
where: short stacking energy: -31.651
Base-Backbone interact. energy: -0.222
local terms energy: -51.426614
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -2.619
tors. eta vs tors. theta energy: -10.852
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: 5, replica: 2
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -101.287670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.287670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.287670 (E_RNA)
where:
Base-Base interactions energy: -61.862
where: short stacking energy: -23.650
Base-Backbone interact. energy: -0.198
local terms energy: -39.227516
where:
bonds (distance) C4'-P energy: -10.172
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -8.360
flat angles P-C4'-P energy: -3.218
tors. eta vs tors. theta energy: -5.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -127.635115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.635115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.635115 (E_RNA)
where:
Base-Base interactions energy: -79.099
where: short stacking energy: -27.551
Base-Backbone interact. energy: -0.304
local terms energy: -48.232111
where:
bonds (distance) C4'-P energy: -11.948
bonds (distance) P-C4' energy: -8.312
flat angles C4'-P-C4' energy: -11.147
flat angles P-C4'-P energy: -7.540
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: 7, replica: 9
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -69.126775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.126775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.126775 (E_RNA)
where:
Base-Base interactions energy: -32.163
where: short stacking energy: -32.163
Base-Backbone interact. energy: -0.152
local terms energy: -36.811625
where:
bonds (distance) C4'-P energy: -9.976
bonds (distance) P-C4' energy: -10.808
flat angles C4'-P-C4' energy: -5.051
flat angles P-C4'-P energy: -3.467
tors. eta vs tors. theta energy: -7.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -59.916391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.916391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.916391 (E_RNA)
where:
Base-Base interactions energy: -21.929
where: short stacking energy: -13.713
Base-Backbone interact. energy: -0.266
local terms energy: -37.722166
where:
bonds (distance) C4'-P energy: -13.318
bonds (distance) P-C4' energy: -11.588
flat angles C4'-P-C4' energy: -8.447
flat angles P-C4'-P energy: -5.452
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: 9, replica: 3
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -59.513401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.513401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.513401 (E_RNA)
where:
Base-Base interactions energy: -22.106
where: short stacking energy: -12.582
Base-Backbone interact. energy: -0.001
local terms energy: -37.406198
where:
bonds (distance) C4'-P energy: -7.863
bonds (distance) P-C4' energy: -10.507
flat angles C4'-P-C4' energy: -10.669
flat angles P-C4'-P energy: -4.591
tors. eta vs tors. theta energy: -3.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -61.427833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.427833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.427833 (E_RNA)
where:
Base-Base interactions energy: -27.475
where: short stacking energy: -24.782
Base-Backbone interact. energy: -0.086
local terms energy: -33.867298
where:
bonds (distance) C4'-P energy: -3.175
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -7.955
flat angles P-C4'-P energy: -3.481
tors. eta vs tors. theta energy: -5.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -155.316666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.316666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.316666 (E_RNA)
where:
Base-Base interactions energy: -101.759
where: short stacking energy: -36.791
Base-Backbone interact. energy: -0.116
local terms energy: -53.441269
where:
bonds (distance) C4'-P energy: -12.904
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -10.523
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -8.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -144.872749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.872749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.872749 (E_RNA)
where:
Base-Base interactions energy: -88.872
where: short stacking energy: -39.069
Base-Backbone interact. energy: 0.131
local terms energy: -56.131707
where:
bonds (distance) C4'-P energy: -11.674
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -11.299
flat angles P-C4'-P energy: -7.331
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: 3, replica: 10
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -131.073653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.073653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.073653 (E_RNA)
where:
Base-Base interactions energy: -76.433
where: short stacking energy: -31.003
Base-Backbone interact. energy: -0.013
local terms energy: -54.627419
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -10.670
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -8.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -136.261676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.261676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.261676 (E_RNA)
where:
Base-Base interactions energy: -89.397
where: short stacking energy: -25.733
Base-Backbone interact. energy: -0.058
local terms energy: -46.805881
where:
bonds (distance) C4'-P energy: -12.283
bonds (distance) P-C4' energy: -11.113
flat angles C4'-P-C4' energy: -11.403
flat angles P-C4'-P energy: -4.723
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: 5, replica: 2
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -107.118946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.118946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.118946 (E_RNA)
where:
Base-Base interactions energy: -68.423
where: short stacking energy: -23.786
Base-Backbone interact. energy: -0.040
local terms energy: -38.656683
where:
bonds (distance) C4'-P energy: -8.941
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -9.199
flat angles P-C4'-P energy: -5.570
tors. eta vs tors. theta energy: -1.676
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: 6
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -140.406434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.406434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.406434 (E_RNA)
where:
Base-Base interactions energy: -96.292
where: short stacking energy: -33.625
Base-Backbone interact. energy: -0.037
local terms energy: -44.076846
where:
bonds (distance) C4'-P energy: -5.871
bonds (distance) P-C4' energy: -9.976
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -2.490
tors. eta vs tors. theta energy: -13.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -62.644928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.644928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.644928 (E_RNA)
where:
Base-Base interactions energy: -18.923
where: short stacking energy: -18.318
Base-Backbone interact. energy: -0.002
local terms energy: -43.719792
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -12.093
flat angles C4'-P-C4' energy: -11.849
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: 0.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -58.018814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.018814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.018814 (E_RNA)
where:
Base-Base interactions energy: -25.608
where: short stacking energy: -21.542
Base-Backbone interact. energy: -0.046
local terms energy: -32.364530
where:
bonds (distance) C4'-P energy: -6.151
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -4.285
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -3.359
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: 7
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -67.637403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.637403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.637403 (E_RNA)
where:
Base-Base interactions energy: -28.323
where: short stacking energy: -21.934
Base-Backbone interact. energy: -0.156
local terms energy: -39.158186
where:
bonds (distance) C4'-P energy: -7.302
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -4.594
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -5.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -76.673571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.673571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.673571 (E_RNA)
where:
Base-Base interactions energy: -40.748
where: short stacking energy: -19.875
Base-Backbone interact. energy: -0.392
local terms energy: -35.534015
where:
bonds (distance) C4'-P energy: -9.761
bonds (distance) P-C4' energy: -10.151
flat angles C4'-P-C4' energy: -5.308
flat angles P-C4'-P energy: -8.092
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: 1, replica: 1
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -154.908558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.908558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.908558 (E_RNA)
where:
Base-Base interactions energy: -100.587
where: short stacking energy: -36.103
Base-Backbone interact. energy: -0.096
local terms energy: -54.226217
where:
bonds (distance) C4'-P energy: -10.681
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -4.436
tors. eta vs tors. theta energy: -11.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -145.544564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.544564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.544564 (E_RNA)
where:
Base-Base interactions energy: -88.665
where: short stacking energy: -32.264
Base-Backbone interact. energy: -0.097
local terms energy: -56.782902
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -11.870
flat angles C4'-P-C4' energy: -11.570
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -11.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -144.874583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.874583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.874583 (E_RNA)
where:
Base-Base interactions energy: -92.599
where: short stacking energy: -37.734
Base-Backbone interact. energy: -1.090
local terms energy: -51.186256
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -12.153
flat angles C4'-P-C4' energy: -12.009
flat angles P-C4'-P energy: -4.692
tors. eta vs tors. theta energy: -9.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -140.088490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.088490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.088490 (E_RNA)
where:
Base-Base interactions energy: -84.492
where: short stacking energy: -28.360
Base-Backbone interact. energy: -0.071
local terms energy: -55.525302
where:
bonds (distance) C4'-P energy: -13.662
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -8.404
tors. eta vs tors. theta energy: -6.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -137.873924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.873924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.873924 (E_RNA)
where:
Base-Base interactions energy: -87.967
where: short stacking energy: -28.605
Base-Backbone interact. energy: 0.181
local terms energy: -50.087869
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -12.628
flat angles C4'-P-C4' energy: -10.370
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -7.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -71.935369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.935369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.935369 (E_RNA)
where:
Base-Base interactions energy: -22.079
where: short stacking energy: -22.079
Base-Backbone interact. energy: -0.028
local terms energy: -49.827968
where:
bonds (distance) C4'-P energy: -11.206
bonds (distance) P-C4' energy: -10.639
flat angles C4'-P-C4' energy: -10.478
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -7.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -62.448684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.448684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.448684 (E_RNA)
where:
Base-Base interactions energy: -18.263
where: short stacking energy: -18.263
Base-Backbone interact. energy: -0.163
local terms energy: -44.023274
where:
bonds (distance) C4'-P energy: -9.692
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -9.432
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -2.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -68.157546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.157546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.157546 (E_RNA)
where:
Base-Base interactions energy: -28.334
where: short stacking energy: -23.618
Base-Backbone interact. energy: -0.005
local terms energy: -39.818339
where:
bonds (distance) C4'-P energy: -8.426
bonds (distance) P-C4' energy: -9.548
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -5.434
tors. eta vs tors. theta energy: -4.050
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: 5
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -69.858107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.858107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.858107 (E_RNA)
where:
Base-Base interactions energy: -36.655
where: short stacking energy: -12.211
Base-Backbone interact. energy: 1.616
local terms energy: -34.818984
where:
bonds (distance) C4'-P energy: -7.647
bonds (distance) P-C4' energy: -11.872
flat angles C4'-P-C4' energy: -6.594
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -0.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -58.772244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.772244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.772244 (E_RNA)
where:
Base-Base interactions energy: -16.270
where: short stacking energy: -16.038
Base-Backbone interact. energy: -0.008
local terms energy: -42.494933
where:
bonds (distance) C4'-P energy: -11.182
bonds (distance) P-C4' energy: -11.479
flat angles C4'-P-C4' energy: -11.785
flat angles P-C4'-P energy: -5.662
tors. eta vs tors. theta energy: -2.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -151.770491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.770491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.770491 (E_RNA)
where:
Base-Base interactions energy: -94.498
where: short stacking energy: -32.972
Base-Backbone interact. energy: -0.039
local terms energy: -57.233536
where:
bonds (distance) C4'-P energy: -11.468
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -10.934
flat angles P-C4'-P energy: -9.450
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: 2, replica: 10
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -140.163230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.163230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.163230 (E_RNA)
where:
Base-Base interactions energy: -87.842
where: short stacking energy: -40.489
Base-Backbone interact. energy: -0.002
local terms energy: -52.318858
where:
bonds (distance) C4'-P energy: -10.761
bonds (distance) P-C4' energy: -9.126
flat angles C4'-P-C4' energy: -10.110
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: -12.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -140.934427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.934427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.934427 (E_RNA)
where:
Base-Base interactions energy: -85.729
where: short stacking energy: -42.754
Base-Backbone interact. energy: -0.036
local terms energy: -55.168708
where:
bonds (distance) C4'-P energy: -8.943
bonds (distance) P-C4' energy: -12.053
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -12.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -143.514155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.514155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.514155 (E_RNA)
where:
Base-Base interactions energy: -99.594
where: short stacking energy: -34.411
Base-Backbone interact. energy: -0.016
local terms energy: -43.903739
where:
bonds (distance) C4'-P energy: -5.555
bonds (distance) P-C4' energy: -10.855
flat angles C4'-P-C4' energy: -12.445
flat angles P-C4'-P energy: -4.166
tors. eta vs tors. theta energy: -10.883
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: 5, replica: 4
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -130.693793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.693793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.693793 (E_RNA)
where:
Base-Base interactions energy: -79.997
where: short stacking energy: -20.837
Base-Backbone interact. energy: -0.116
local terms energy: -50.580512
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -11.455
flat angles C4'-P-C4' energy: -11.250
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: -7.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -80.312306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.312306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.312306 (E_RNA)
where:
Base-Base interactions energy: -32.074
where: short stacking energy: -21.879
Base-Backbone interact. energy: -0.103
local terms energy: -48.136073
where:
bonds (distance) C4'-P energy: -10.113
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -8.531
flat angles P-C4'-P energy: -9.338
tors. eta vs tors. theta energy: -6.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -68.806834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.806834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.806834 (E_RNA)
where:
Base-Base interactions energy: -30.592
where: short stacking energy: -15.402
Base-Backbone interact. energy: -0.362
local terms energy: -37.852889
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -9.581
flat angles C4'-P-C4' energy: -9.709
flat angles P-C4'-P energy: -5.440
tors. eta vs tors. theta energy: -1.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -69.220821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.220821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.220821 (E_RNA)
where:
Base-Base interactions energy: -20.390
where: short stacking energy: -12.807
Base-Backbone interact. energy: -0.298
local terms energy: -48.531999
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -11.563
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -1.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -57.109267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.109267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.109267 (E_RNA)
where:
Base-Base interactions energy: -19.826
where: short stacking energy: -8.051
Base-Backbone interact. energy: -0.394
local terms energy: -36.889106
where:
bonds (distance) C4'-P energy: -13.769
bonds (distance) P-C4' energy: -10.634
flat angles C4'-P-C4' energy: -11.427
flat angles P-C4'-P energy: -5.916
tors. eta vs tors. theta energy: 4.858
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: 67
Temperature: 1.350000
Total energy: -57.951737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.951737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.951737 (E_RNA)
where:
Base-Base interactions energy: -18.923
where: short stacking energy: -11.589
Base-Backbone interact. energy: -0.531
local terms energy: -38.498168
where:
bonds (distance) C4'-P energy: -6.826
bonds (distance) P-C4' energy: -9.774
flat angles C4'-P-C4' energy: -11.726
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: 0.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -145.453942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.453942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.453942 (E_RNA)
where:
Base-Base interactions energy: -91.741
where: short stacking energy: -42.963
Base-Backbone interact. energy: -0.071
local terms energy: -53.641016
where:
bonds (distance) C4'-P energy: -9.303
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -12.366
flat angles P-C4'-P energy: -3.864
tors. eta vs tors. theta energy: -15.326
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: 1
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -152.768930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.768930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.768930 (E_RNA)
where:
Base-Base interactions energy: -95.410
where: short stacking energy: -49.570
Base-Backbone interact. energy: -0.020
local terms energy: -57.338680
where:
bonds (distance) C4'-P energy: -13.376
bonds (distance) P-C4' energy: -12.650
flat angles C4'-P-C4' energy: -11.167
flat angles P-C4'-P energy: -5.588
tors. eta vs tors. theta energy: -14.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -144.131105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.131105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.131105 (E_RNA)
where:
Base-Base interactions energy: -94.545
where: short stacking energy: -38.659
Base-Backbone interact. energy: -0.033
local terms energy: -49.553213
where:
bonds (distance) C4'-P energy: -11.157
bonds (distance) P-C4' energy: -12.843
flat angles C4'-P-C4' energy: -10.551
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -6.778
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: 8
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -134.343439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.343439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.343439 (E_RNA)
where:
Base-Base interactions energy: -75.436
where: short stacking energy: -36.221
Base-Backbone interact. energy: -0.050
local terms energy: -58.857974
where:
bonds (distance) C4'-P energy: -13.861
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -8.062
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: 5, replica: 4
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -124.709127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.709127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.709127 (E_RNA)
where:
Base-Base interactions energy: -77.083
where: short stacking energy: -30.322
Base-Backbone interact. energy: -0.033
local terms energy: -47.593855
where:
bonds (distance) C4'-P energy: -9.953
bonds (distance) P-C4' energy: -12.334
flat angles C4'-P-C4' energy: -9.283
flat angles P-C4'-P energy: -5.504
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: 6, replica: 2
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -73.650815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.650815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.650815 (E_RNA)
where:
Base-Base interactions energy: -34.167
where: short stacking energy: -23.789
Base-Backbone interact. energy: -0.092
local terms energy: -39.391627
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -12.179
flat angles C4'-P-C4' energy: -8.213
flat angles P-C4'-P energy: -4.418
tors. eta vs tors. theta energy: -2.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -69.824039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.824039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.824039 (E_RNA)
where:
Base-Base interactions energy: -32.979
where: short stacking energy: -12.721
Base-Backbone interact. energy: -0.239
local terms energy: -36.606777
where:
bonds (distance) C4'-P energy: -10.334
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -7.561
flat angles P-C4'-P energy: -5.812
tors. eta vs tors. theta energy: -0.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -58.074039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.074039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.074039 (E_RNA)
where:
Base-Base interactions energy: -16.748
where: short stacking energy: -16.539
Base-Backbone interact. energy: -1.795
local terms energy: -39.531487
where:
bonds (distance) C4'-P energy: -6.674
bonds (distance) P-C4' energy: -12.963
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -6.830
tors. eta vs tors. theta energy: -0.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -59.746277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.746277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.746277 (E_RNA)
where:
Base-Base interactions energy: -23.829
where: short stacking energy: -13.175
Base-Backbone interact. energy: -0.242
local terms energy: -35.675010
where:
bonds (distance) C4'-P energy: -9.514
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -9.711
flat angles P-C4'-P energy: -5.945
tors. eta vs tors. theta energy: 2.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -54.922373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.922373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.922373 (E_RNA)
where:
Base-Base interactions energy: -15.614
where: short stacking energy: -8.504
Base-Backbone interact. energy: -0.139
local terms energy: -39.169524
where:
bonds (distance) C4'-P energy: -10.529
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -8.758
flat angles P-C4'-P energy: -7.106
tors. eta vs tors. theta energy: 0.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -157.529307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.529307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.529307 (E_RNA)
where:
Base-Base interactions energy: -99.202
where: short stacking energy: -44.231
Base-Backbone interact. energy: -0.099
local terms energy: -58.228044
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -10.185
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -10.056
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: 2, replica: 6
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -147.273858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.273858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.273858 (E_RNA)
where:
Base-Base interactions energy: -94.407
where: short stacking energy: -27.982
Base-Backbone interact. energy: -0.012
local terms energy: -52.853977
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -11.110
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -8.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -148.522352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.522352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.522352 (E_RNA)
where:
Base-Base interactions energy: -100.002
where: short stacking energy: -32.170
Base-Backbone interact. energy: -0.019
local terms energy: -48.501525
where:
bonds (distance) C4'-P energy: -8.967
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -6.908
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -138.943190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.943190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.943190 (E_RNA)
where:
Base-Base interactions energy: -88.605
where: short stacking energy: -37.961
Base-Backbone interact. energy: 0.048
local terms energy: -50.385862
where:
bonds (distance) C4'-P energy: -9.807
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -8.690
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: -9.421
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: 4
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -132.716910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.716910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.716910 (E_RNA)
where:
Base-Base interactions energy: -89.812
where: short stacking energy: -36.103
Base-Backbone interact. energy: -0.043
local terms energy: -42.861077
where:
bonds (distance) C4'-P energy: -10.010
bonds (distance) P-C4' energy: -9.648
flat angles C4'-P-C4' energy: -8.621
flat angles P-C4'-P energy: -7.101
tors. eta vs tors. theta energy: -7.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -84.079177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.079177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.079177 (E_RNA)
where:
Base-Base interactions energy: -45.192
where: short stacking energy: -20.428
Base-Backbone interact. energy: -0.200
local terms energy: -38.687060
where:
bonds (distance) C4'-P energy: -8.926
bonds (distance) P-C4' energy: -11.282
flat angles C4'-P-C4' energy: -10.154
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: 0.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -63.306458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.306458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.306458 (E_RNA)
where:
Base-Base interactions energy: -14.856
where: short stacking energy: -14.274
Base-Backbone interact. energy: -1.174
local terms energy: -47.276473
where:
bonds (distance) C4'-P energy: -11.252
bonds (distance) P-C4' energy: -13.960
flat angles C4'-P-C4' energy: -9.395
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -2.935
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: 3
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -64.467755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.467755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.467755 (E_RNA)
where:
Base-Base interactions energy: -29.148
where: short stacking energy: -20.655
Base-Backbone interact. energy: -0.081
local terms energy: -35.239207
where:
bonds (distance) C4'-P energy: -10.068
bonds (distance) P-C4' energy: -9.330
flat angles C4'-P-C4' energy: -9.178
flat angles P-C4'-P energy: -6.276
tors. eta vs tors. theta energy: -0.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -58.074983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.074983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.074983 (E_RNA)
where:
Base-Base interactions energy: -19.659
where: short stacking energy: -12.266
Base-Backbone interact. energy: -0.243
local terms energy: -38.172477
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -11.707
flat angles C4'-P-C4' energy: -11.127
flat angles P-C4'-P energy: -2.896
tors. eta vs tors. theta energy: 0.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -57.029663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.029663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.029663 (E_RNA)
where:
Base-Base interactions energy: -14.603
where: short stacking energy: -14.440
Base-Backbone interact. energy: 0.209
local terms energy: -42.635577
where:
bonds (distance) C4'-P energy: -10.173
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -9.252
flat angles P-C4'-P energy: -6.891
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: 6
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -151.406056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.406056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.406056 (E_RNA)
where:
Base-Base interactions energy: -94.846
where: short stacking energy: -45.109
Base-Backbone interact. energy: -0.092
local terms energy: -56.468084
where:
bonds (distance) C4'-P energy: -10.748
bonds (distance) P-C4' energy: -11.734
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -5.726
tors. eta vs tors. theta energy: -14.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -146.846212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.846212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.846212 (E_RNA)
where:
Base-Base interactions energy: -93.614
where: short stacking energy: -33.763
Base-Backbone interact. energy: -0.006
local terms energy: -53.226018
where:
bonds (distance) C4'-P energy: -10.970
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -9.734
flat angles P-C4'-P energy: -7.301
tors. eta vs tors. theta energy: -12.179
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: 70
Temperature: 1.000000
Total energy: -153.891517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.891517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.891517 (E_RNA)
where:
Base-Base interactions energy: -92.702
where: short stacking energy: -39.183
Base-Backbone interact. energy: -0.985
local terms energy: -60.205367
where:
bonds (distance) C4'-P energy: -13.318
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -11.929
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -12.550
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: 70
Temperature: 1.050000
Total energy: -142.646352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.646352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.646352 (E_RNA)
where:
Base-Base interactions energy: -95.466
where: short stacking energy: -33.072
Base-Backbone interact. energy: -0.257
local terms energy: -46.923627
where:
bonds (distance) C4'-P energy: -8.275
bonds (distance) P-C4' energy: -9.057
flat angles C4'-P-C4' energy: -11.697
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -8.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -128.798199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.798199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.798199 (E_RNA)
where:
Base-Base interactions energy: -84.230
where: short stacking energy: -25.587
Base-Backbone interact. energy: -0.065
local terms energy: -44.503238
where:
bonds (distance) C4'-P energy: -9.407
bonds (distance) P-C4' energy: -7.596
flat angles C4'-P-C4' energy: -9.678
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -7.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -83.823159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.823159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.823159 (E_RNA)
where:
Base-Base interactions energy: -41.172
where: short stacking energy: -26.316
Base-Backbone interact. energy: -0.151
local terms energy: -42.500109
where:
bonds (distance) C4'-P energy: -7.713
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -7.527
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -5.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -81.785304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.785304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.785304 (E_RNA)
where:
Base-Base interactions energy: -39.462
where: short stacking energy: -18.201
Base-Backbone interact. energy: -0.102
local terms energy: -42.221748
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -6.439
flat angles C4'-P-C4' energy: -8.401
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -6.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -60.049153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.049153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.049153 (E_RNA)
where:
Base-Base interactions energy: -13.269
where: short stacking energy: -13.269
Base-Backbone interact. energy: -0.033
local terms energy: -46.746536
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -6.108
tors. eta vs tors. theta energy: -3.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -54.670697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.670697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.670697 (E_RNA)
where:
Base-Base interactions energy: -17.858
where: short stacking energy: -10.897
Base-Backbone interact. energy: 0.105
local terms energy: -36.917693
where:
bonds (distance) C4'-P energy: -11.000
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -6.694
flat angles P-C4'-P energy: -7.817
tors. eta vs tors. theta energy: 2.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -61.287594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.287594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.287594 (E_RNA)
where:
Base-Base interactions energy: -29.378
where: short stacking energy: -16.740
Base-Backbone interact. energy: -0.304
local terms energy: -31.605823
where:
bonds (distance) C4'-P energy: -5.691
bonds (distance) P-C4' energy: -10.882
flat angles C4'-P-C4' energy: -3.556
flat angles P-C4'-P energy: -6.639
tors. eta vs tors. theta energy: -4.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -160.500872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.500872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.500872 (E_RNA)
where:
Base-Base interactions energy: -105.027
where: short stacking energy: -36.151
Base-Backbone interact. energy: -0.135
local terms energy: -55.339035
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -10.922
flat angles C4'-P-C4' energy: -9.489
flat angles P-C4'-P energy: -8.276
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: 2, replica: 10
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -153.026364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.026364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.026364 (E_RNA)
where:
Base-Base interactions energy: -94.981
where: short stacking energy: -39.118
Base-Backbone interact. energy: -0.016
local terms energy: -58.029297
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -11.810
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -5.900
tors. eta vs tors. theta energy: -14.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -140.275611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.275611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.275611 (E_RNA)
where:
Base-Base interactions energy: -86.319
where: short stacking energy: -29.531
Base-Backbone interact. energy: -1.156
local terms energy: -52.799887
where:
bonds (distance) C4'-P energy: -12.598
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -8.447
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -9.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -116.027194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.027194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.027194 (E_RNA)
where:
Base-Base interactions energy: -70.574
where: short stacking energy: -26.312
Base-Backbone interact. energy: -0.027
local terms energy: -45.426788
where:
bonds (distance) C4'-P energy: -11.460
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -11.569
flat angles P-C4'-P energy: -2.904
tors. eta vs tors. theta energy: -7.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -120.465252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.465252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.465252 (E_RNA)
where:
Base-Base interactions energy: -73.288
where: short stacking energy: -29.456
Base-Backbone interact. energy: -0.033
local terms energy: -47.144424
where:
bonds (distance) C4'-P energy: -12.392
bonds (distance) P-C4' energy: -8.615
flat angles C4'-P-C4' energy: -11.024
flat angles P-C4'-P energy: -6.404
tors. eta vs tors. theta energy: -8.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -74.468210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.468210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.468210 (E_RNA)
where:
Base-Base interactions energy: -33.014
where: short stacking energy: -18.652
Base-Backbone interact. energy: -0.017
local terms energy: -41.436970
where:
bonds (distance) C4'-P energy: -9.767
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -11.305
flat angles P-C4'-P energy: -5.178
tors. eta vs tors. theta energy: -2.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -77.826557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.826557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.826557 (E_RNA)
where:
Base-Base interactions energy: -35.623
where: short stacking energy: -18.950
Base-Backbone interact. energy: -0.302
local terms energy: -41.901773
where:
bonds (distance) C4'-P energy: -6.455
bonds (distance) P-C4' energy: -13.791
flat angles C4'-P-C4' energy: -12.051
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -0.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -56.333638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.333638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.333638 (E_RNA)
where:
Base-Base interactions energy: -18.754
where: short stacking energy: -18.954
Base-Backbone interact. energy: -0.622
local terms energy: -36.958147
where:
bonds (distance) C4'-P energy: -10.250
bonds (distance) P-C4' energy: -10.562
flat angles C4'-P-C4' energy: -6.089
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -1.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -52.235885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.235885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.235885 (E_RNA)
where:
Base-Base interactions energy: -19.902
where: short stacking energy: -13.865
Base-Backbone interact. energy: -0.080
local terms energy: -32.253403
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -10.594
flat angles C4'-P-C4' energy: -8.013
flat angles P-C4'-P energy: -0.115
tors. eta vs tors. theta energy: -2.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -63.720436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.720436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.720436 (E_RNA)
where:
Base-Base interactions energy: -27.359
where: short stacking energy: -15.167
Base-Backbone interact. energy: -0.017
local terms energy: -36.343953
where:
bonds (distance) C4'-P energy: -7.448
bonds (distance) P-C4' energy: -11.145
flat angles C4'-P-C4' energy: -9.826
flat angles P-C4'-P energy: -6.291
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: 10
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -158.854249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.854249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.854249 (E_RNA)
where:
Base-Base interactions energy: -105.600
where: short stacking energy: -39.789
Base-Backbone interact. energy: -0.006
local terms energy: -53.247932
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -9.902
flat angles P-C4'-P energy: -7.584
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: 2, replica: 6
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -154.728265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.728265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.728265 (E_RNA)
where:
Base-Base interactions energy: -104.502
where: short stacking energy: -41.094
Base-Backbone interact. energy: -0.100
local terms energy: -50.126589
where:
bonds (distance) C4'-P energy: -9.987
bonds (distance) P-C4' energy: -11.178
flat angles C4'-P-C4' energy: -12.065
flat angles P-C4'-P energy: -4.912
tors. eta vs tors. theta energy: -11.984
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: 1
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -153.436329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.436329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.436329 (E_RNA)
where:
Base-Base interactions energy: -97.534
where: short stacking energy: -38.430
Base-Backbone interact. energy: 0.058
local terms energy: -55.960374
where:
bonds (distance) C4'-P energy: -13.049
bonds (distance) P-C4' energy: -11.239
flat angles C4'-P-C4' energy: -11.131
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -11.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -132.656721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.656721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.656721 (E_RNA)
where:
Base-Base interactions energy: -85.054
where: short stacking energy: -31.065
Base-Backbone interact. energy: -0.397
local terms energy: -47.206128
where:
bonds (distance) C4'-P energy: -11.360
bonds (distance) P-C4' energy: -10.813
flat angles C4'-P-C4' energy: -9.404
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -7.617
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: 8
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -130.605831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.605831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.605831 (E_RNA)
where:
Base-Base interactions energy: -78.864
where: short stacking energy: -38.677
Base-Backbone interact. energy: -0.004
local terms energy: -51.738338
where:
bonds (distance) C4'-P energy: -10.950
bonds (distance) P-C4' energy: -13.389
flat angles C4'-P-C4' energy: -9.077
flat angles P-C4'-P energy: -8.268
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: 3
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -63.951140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.951140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.951140 (E_RNA)
where:
Base-Base interactions energy: -15.507
where: short stacking energy: -13.629
Base-Backbone interact. energy: -0.249
local terms energy: -48.194678
where:
bonds (distance) C4'-P energy: -13.343
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -11.509
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -1.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -64.091511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.091511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.091511 (E_RNA)
where:
Base-Base interactions energy: -27.302
where: short stacking energy: -12.164
Base-Backbone interact. energy: 0.532
local terms energy: -37.321319
where:
bonds (distance) C4'-P energy: -8.342
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -7.811
flat angles P-C4'-P energy: -6.590
tors. eta vs tors. theta energy: -2.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -87.519312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.519312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.519312 (E_RNA)
where:
Base-Base interactions energy: -50.783
where: short stacking energy: -20.106
Base-Backbone interact. energy: -0.086
local terms energy: -36.649847
where:
bonds (distance) C4'-P energy: -6.643
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -8.199
flat angles P-C4'-P energy: -4.572
tors. eta vs tors. theta energy: -4.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -64.655667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.655667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.655667 (E_RNA)
where:
Base-Base interactions energy: -18.512
where: short stacking energy: -18.512
Base-Backbone interact. energy: -0.011
local terms energy: -46.132479
where:
bonds (distance) C4'-P energy: -11.116
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -8.361
flat angles P-C4'-P energy: -4.894
tors. eta vs tors. theta energy: -9.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -55.827833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.827833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.827833 (E_RNA)
where:
Base-Base interactions energy: -14.136
where: short stacking energy: -14.136
Base-Backbone interact. energy: -0.094
local terms energy: -41.597431
where:
bonds (distance) C4'-P energy: -11.650
bonds (distance) P-C4' energy: -10.936
flat angles C4'-P-C4' energy: -11.469
flat angles P-C4'-P energy: -7.255
tors. eta vs tors. theta energy: -0.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -157.649655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.649655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.649655 (E_RNA)
where:
Base-Base interactions energy: -102.985
where: short stacking energy: -38.302
Base-Backbone interact. energy: -0.107
local terms energy: -54.557910
where:
bonds (distance) C4'-P energy: -11.274
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -12.141
flat angles P-C4'-P energy: -5.966
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: 2, replica: 1
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -157.790978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.790978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.790978 (E_RNA)
where:
Base-Base interactions energy: -105.510
where: short stacking energy: -37.587
Base-Backbone interact. energy: -0.169
local terms energy: -52.112500
where:
bonds (distance) C4'-P energy: -11.418
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -11.661
flat angles P-C4'-P energy: -3.797
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: 3, replica: 6
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -149.421659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.421659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.421659 (E_RNA)
where:
Base-Base interactions energy: -93.244
where: short stacking energy: -37.181
Base-Backbone interact. energy: -0.003
local terms energy: -56.174423
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -8.978
flat angles C4'-P-C4' energy: -11.728
flat angles P-C4'-P energy: -10.984
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: 4, replica: 8
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -139.265031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.265031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.265031 (E_RNA)
where:
Base-Base interactions energy: -86.377
where: short stacking energy: -32.626
Base-Backbone interact. energy: -0.013
local terms energy: -52.874285
where:
bonds (distance) C4'-P energy: -11.070
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -7.820
flat angles P-C4'-P energy: -8.009
tors. eta vs tors. theta energy: -11.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -119.994049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.994049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.994049 (E_RNA)
where:
Base-Base interactions energy: -72.618
where: short stacking energy: -33.068
Base-Backbone interact. energy: -0.020
local terms energy: -47.356189
where:
bonds (distance) C4'-P energy: -8.136
bonds (distance) P-C4' energy: -5.971
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -11.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -71.417826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.417826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.417826 (E_RNA)
where:
Base-Base interactions energy: -36.625
where: short stacking energy: -19.600
Base-Backbone interact. energy: -0.265
local terms energy: -34.527869
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -9.781
flat angles C4'-P-C4' energy: -6.288
flat angles P-C4'-P energy: -3.562
tors. eta vs tors. theta energy: -2.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -73.177215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.177215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.177215 (E_RNA)
where:
Base-Base interactions energy: -41.774
where: short stacking energy: -26.265
Base-Backbone interact. energy: 0.224
local terms energy: -31.627646
where:
bonds (distance) C4'-P energy: -5.332
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -8.959
flat angles P-C4'-P energy: -4.769
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: 8, replica: 2
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -64.322088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.322088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.322088 (E_RNA)
where:
Base-Base interactions energy: -29.482
where: short stacking energy: -14.283
Base-Backbone interact. energy: -0.165
local terms energy: -34.675302
where:
bonds (distance) C4'-P energy: -8.879
bonds (distance) P-C4' energy: -10.106
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: -1.672
tors. eta vs tors. theta energy: -2.257
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: 9
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -55.697503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.697503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.697503 (E_RNA)
where:
Base-Base interactions energy: -18.215
where: short stacking energy: -11.823
Base-Backbone interact. energy: -0.239
local terms energy: -37.244196
where:
bonds (distance) C4'-P energy: -12.101
bonds (distance) P-C4' energy: -9.396
flat angles C4'-P-C4' energy: -9.705
flat angles P-C4'-P energy: -6.002
tors. eta vs tors. theta energy: -0.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -56.467675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.467675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.467675 (E_RNA)
where:
Base-Base interactions energy: -17.161
where: short stacking energy: -11.775
Base-Backbone interact. energy: -0.210
local terms energy: -39.096862
where:
bonds (distance) C4'-P energy: -6.426
bonds (distance) P-C4' energy: -11.359
flat angles C4'-P-C4' energy: -10.979
flat angles P-C4'-P energy: -6.737
tors. eta vs tors. theta energy: -3.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -151.341304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.341304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.341304 (E_RNA)
where:
Base-Base interactions energy: -101.968
where: short stacking energy: -34.869
Base-Backbone interact. energy: 0.607
local terms energy: -49.980274
where:
bonds (distance) C4'-P energy: -9.976
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -11.546
flat angles P-C4'-P energy: -4.887
tors. eta vs tors. theta energy: -11.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -146.874282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.874282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.874282 (E_RNA)
where:
Base-Base interactions energy: -92.063
where: short stacking energy: -41.107
Base-Backbone interact. energy: -0.013
local terms energy: -54.798346
where:
bonds (distance) C4'-P energy: -11.261
bonds (distance) P-C4' energy: -10.654
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -11.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -138.684192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.684192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.684192 (E_RNA)
where:
Base-Base interactions energy: -82.506
where: short stacking energy: -39.840
Base-Backbone interact. energy: -0.000
local terms energy: -56.178163
where:
bonds (distance) C4'-P energy: -9.205
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -6.691
tors. eta vs tors. theta energy: -13.618
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: 74
Temperature: 1.050000
Total energy: -139.798427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.798427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.798427 (E_RNA)
where:
Base-Base interactions energy: -86.267
where: short stacking energy: -38.071
Base-Backbone interact. energy: -0.789
local terms energy: -52.742228
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -11.021
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -7.778
tors. eta vs tors. theta energy: -10.335
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: 4
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -126.550488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.550488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.550488 (E_RNA)
where:
Base-Base interactions energy: -70.995
where: short stacking energy: -38.634
Base-Backbone interact. energy: -0.037
local terms energy: -55.518933
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -9.858
flat angles P-C4'-P energy: -6.600
tors. eta vs tors. theta energy: -13.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -88.373880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.373880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.373880 (E_RNA)
where:
Base-Base interactions energy: -41.153
where: short stacking energy: -20.928
Base-Backbone interact. energy: -0.125
local terms energy: -47.096361
where:
bonds (distance) C4'-P energy: -9.260
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -4.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -65.367859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.367859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.367859 (E_RNA)
where:
Base-Base interactions energy: -21.084
where: short stacking energy: -21.084
Base-Backbone interact. energy: -0.093
local terms energy: -44.191486
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -10.314
flat angles C4'-P-C4' energy: -6.871
flat angles P-C4'-P energy: -9.092
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: 8, replica: 3
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -58.146304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.146304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.146304 (E_RNA)
where:
Base-Base interactions energy: -23.099
where: short stacking energy: -7.563
Base-Backbone interact. energy: 1.737
local terms energy: -36.784505
where:
bonds (distance) C4'-P energy: -10.636
bonds (distance) P-C4' energy: -8.197
flat angles C4'-P-C4' energy: -11.650
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: 1.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -66.523144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.523144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.523144 (E_RNA)
where:
Base-Base interactions energy: -27.331
where: short stacking energy: -21.516
Base-Backbone interact. energy: -0.387
local terms energy: -38.804629
where:
bonds (distance) C4'-P energy: -8.322
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -10.078
flat angles P-C4'-P energy: -5.600
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: 10, replica: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -53.588267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.588267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.588267 (E_RNA)
where:
Base-Base interactions energy: -25.839
where: short stacking energy: -14.094
Base-Backbone interact. energy: -0.491
local terms energy: -27.257432
where:
bonds (distance) C4'-P energy: -7.721
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -5.245
flat angles P-C4'-P energy: -2.678
tors. eta vs tors. theta energy: 1.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -144.831080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.831080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.831080 (E_RNA)
where:
Base-Base interactions energy: -85.766
where: short stacking energy: -35.102
Base-Backbone interact. energy: -0.004
local terms energy: -59.061652
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -13.389
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -9.038
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: 2, replica: 6
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -149.131139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.131139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.131139 (E_RNA)
where:
Base-Base interactions energy: -97.408
where: short stacking energy: -45.141
Base-Backbone interact. energy: -0.002
local terms energy: -51.720351
where:
bonds (distance) C4'-P energy: -9.461
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -7.977
flat angles P-C4'-P energy: -6.616
tors. eta vs tors. theta energy: -14.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -144.295242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.295242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.295242 (E_RNA)
where:
Base-Base interactions energy: -89.290
where: short stacking energy: -34.457
Base-Backbone interact. energy: -1.208
local terms energy: -53.796899
where:
bonds (distance) C4'-P energy: -10.376
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -7.272
tors. eta vs tors. theta energy: -10.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -135.854731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.854731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.854731 (E_RNA)
where:
Base-Base interactions energy: -87.029
where: short stacking energy: -38.416
Base-Backbone interact. energy: -0.201
local terms energy: -48.624747
where:
bonds (distance) C4'-P energy: -9.067
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -4.733
tors. eta vs tors. theta energy: -9.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -116.537631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.537631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.537631 (E_RNA)
where:
Base-Base interactions energy: -75.020
where: short stacking energy: -26.806
Base-Backbone interact. energy: 0.055
local terms energy: -41.573057
where:
bonds (distance) C4'-P energy: -7.552
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -10.686
flat angles P-C4'-P energy: -1.976
tors. eta vs tors. theta energy: -10.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -94.879004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.879004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.879004 (E_RNA)
where:
Base-Base interactions energy: -49.710
where: short stacking energy: -26.005
Base-Backbone interact. energy: -0.197
local terms energy: -44.971992
where:
bonds (distance) C4'-P energy: -9.067
bonds (distance) P-C4' energy: -11.215
flat angles C4'-P-C4' energy: -10.630
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -5.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -93.839572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.839572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.839572 (E_RNA)
where:
Base-Base interactions energy: -57.834
where: short stacking energy: -25.269
Base-Backbone interact. energy: -0.354
local terms energy: -35.651344
where:
bonds (distance) C4'-P energy: -7.067
bonds (distance) P-C4' energy: -10.249
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -3.310
tors. eta vs tors. theta energy: -2.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -63.522570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.522570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.522570 (E_RNA)
where:
Base-Base interactions energy: -17.120
where: short stacking energy: -17.120
Base-Backbone interact. energy: 0.148
local terms energy: -46.550090
where:
bonds (distance) C4'-P energy: -11.965
bonds (distance) P-C4' energy: -12.345
flat angles C4'-P-C4' energy: -12.136
flat angles P-C4'-P energy: -6.525
tors. eta vs tors. theta energy: -3.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -59.702655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.702655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.702655 (E_RNA)
where:
Base-Base interactions energy: -24.509
where: short stacking energy: -20.002
Base-Backbone interact. energy: -0.005
local terms energy: -35.188562
where:
bonds (distance) C4'-P energy: -8.794
bonds (distance) P-C4' energy: -11.960
flat angles C4'-P-C4' energy: -8.958
flat angles P-C4'-P energy: -4.175
tors. eta vs tors. theta energy: -1.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -59.629050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.629050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.629050 (E_RNA)
where:
Base-Base interactions energy: -16.592
where: short stacking energy: -16.592
Base-Backbone interact. energy: -0.005
local terms energy: -43.032017
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -10.103
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -0.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -140.519896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.519896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.519896 (E_RNA)
where:
Base-Base interactions energy: -94.283
where: short stacking energy: -35.576
Base-Backbone interact. energy: -0.104
local terms energy: -46.132782
where:
bonds (distance) C4'-P energy: -13.211
bonds (distance) P-C4' energy: -9.942
flat angles C4'-P-C4' energy: -6.695
flat angles P-C4'-P energy: -6.062
tors. eta vs tors. theta energy: -10.222
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: 6
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -148.738829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.738829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.738829 (E_RNA)
where:
Base-Base interactions energy: -97.234
where: short stacking energy: -40.039
Base-Backbone interact. energy: -0.107
local terms energy: -51.397658
where:
bonds (distance) C4'-P energy: -13.078
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -10.352
flat angles P-C4'-P energy: -7.523
tors. eta vs tors. theta energy: -8.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -146.804176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.804176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.804176 (E_RNA)
where:
Base-Base interactions energy: -100.661
where: short stacking energy: -29.848
Base-Backbone interact. energy: -0.010
local terms energy: -46.133270
where:
bonds (distance) C4'-P energy: -12.436
bonds (distance) P-C4' energy: -11.991
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -7.375
tors. eta vs tors. theta energy: -3.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -130.384443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.384443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.384443 (E_RNA)
where:
Base-Base interactions energy: -78.572
where: short stacking energy: -31.099
Base-Backbone interact. energy: -0.166
local terms energy: -51.646330
where:
bonds (distance) C4'-P energy: -10.893
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -8.563
flat angles P-C4'-P energy: -6.006
tors. eta vs tors. theta energy: -12.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -101.500755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.500755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.500755 (E_RNA)
where:
Base-Base interactions energy: -53.758
where: short stacking energy: -23.296
Base-Backbone interact. energy: 1.075
local terms energy: -48.817603
where:
bonds (distance) C4'-P energy: -11.178
bonds (distance) P-C4' energy: -10.801
flat angles C4'-P-C4' energy: -10.402
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -7.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -77.966122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.966122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.966122 (E_RNA)
where:
Base-Base interactions energy: -40.074
where: short stacking energy: -19.087
Base-Backbone interact. energy: 1.183
local terms energy: -39.074669
where:
bonds (distance) C4'-P energy: -11.696
bonds (distance) P-C4' energy: -11.244
flat angles C4'-P-C4' energy: -6.601
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -0.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -59.510440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.510440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.510440 (E_RNA)
where:
Base-Base interactions energy: -21.130
where: short stacking energy: -19.980
Base-Backbone interact. energy: -0.287
local terms energy: -38.093708
where:
bonds (distance) C4'-P energy: -11.131
bonds (distance) P-C4' energy: -11.054
flat angles C4'-P-C4' energy: -10.947
flat angles P-C4'-P energy: -5.314
tors. eta vs tors. theta energy: 0.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -107.369302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.369302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.369302 (E_RNA)
where:
Base-Base interactions energy: -67.931
where: short stacking energy: -26.221
Base-Backbone interact. energy: -0.011
local terms energy: -39.427320
where:
bonds (distance) C4'-P energy: -11.273
bonds (distance) P-C4' energy: -10.777
flat angles C4'-P-C4' energy: -9.191
flat angles P-C4'-P energy: -1.190
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: 9, replica: 9
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -58.783945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.783945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.783945 (E_RNA)
where:
Base-Base interactions energy: -21.390
where: short stacking energy: -20.664
Base-Backbone interact. energy: -0.033
local terms energy: -37.360891
where:
bonds (distance) C4'-P energy: -3.958
bonds (distance) P-C4' energy: -9.461
flat angles C4'-P-C4' energy: -11.726
flat angles P-C4'-P energy: -6.277
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: 10, replica: 3
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -54.723086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.723086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.723086 (E_RNA)
where:
Base-Base interactions energy: -19.130
where: short stacking energy: -16.047
Base-Backbone interact. energy: -0.097
local terms energy: -35.495982
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -9.421
flat angles C4'-P-C4' energy: -4.890
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -0.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -155.874043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.874043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.874043 (E_RNA)
where:
Base-Base interactions energy: -104.263
where: short stacking energy: -37.416
Base-Backbone interact. energy: -0.001
local terms energy: -51.609717
where:
bonds (distance) C4'-P energy: -12.035
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -10.302
flat angles P-C4'-P energy: -6.821
tors. eta vs tors. theta energy: -10.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -160.764435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.764435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.764435 (E_RNA)
where:
Base-Base interactions energy: -106.693
where: short stacking energy: -31.382
Base-Backbone interact. energy: -0.059
local terms energy: -54.012192
where:
bonds (distance) C4'-P energy: -13.861
bonds (distance) P-C4' energy: -9.895
flat angles C4'-P-C4' energy: -10.578
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: -11.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -149.282549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.282549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.282549 (E_RNA)
where:
Base-Base interactions energy: -97.336
where: short stacking energy: -38.417
Base-Backbone interact. energy: -0.005
local terms energy: -51.942322
where:
bonds (distance) C4'-P energy: -10.635
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -6.961
tors. eta vs tors. theta energy: -8.885
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: 77
Temperature: 1.050000
Total energy: -112.928775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.928775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.928775 (E_RNA)
where:
Base-Base interactions energy: -73.249
where: short stacking energy: -22.243
Base-Backbone interact. energy: -0.382
local terms energy: -39.297649
where:
bonds (distance) C4'-P energy: -6.934
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -12.013
flat angles P-C4'-P energy: -4.479
tors. eta vs tors. theta energy: -3.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -127.504474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.504474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.504474 (E_RNA)
where:
Base-Base interactions energy: -78.666
where: short stacking energy: -25.717
Base-Backbone interact. energy: 0.337
local terms energy: -49.174570
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -12.706
flat angles C4'-P-C4' energy: -9.987
flat angles P-C4'-P energy: -6.633
tors. eta vs tors. theta energy: -7.404
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: 7
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -62.739619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.739619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.739619 (E_RNA)
where:
Base-Base interactions energy: -25.174
where: short stacking energy: -12.509
Base-Backbone interact. energy: -0.128
local terms energy: -37.437483
where:
bonds (distance) C4'-P energy: -10.822
bonds (distance) P-C4' energy: -8.234
flat angles C4'-P-C4' energy: -11.499
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: 0.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -60.016576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.016576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.016576 (E_RNA)
where:
Base-Base interactions energy: -21.365
where: short stacking energy: -17.578
Base-Backbone interact. energy: -0.143
local terms energy: -38.508938
where:
bonds (distance) C4'-P energy: -10.446
bonds (distance) P-C4' energy: -8.495
flat angles C4'-P-C4' energy: -9.292
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -0.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -53.962879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.962879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.962879 (E_RNA)
where:
Base-Base interactions energy: -9.886
where: short stacking energy: -6.760
Base-Backbone interact. energy: -0.125
local terms energy: -43.952006
where:
bonds (distance) C4'-P energy: -11.728
bonds (distance) P-C4' energy: -11.853
flat angles C4'-P-C4' energy: -11.440
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: 0.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -69.767731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.767731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.767731 (E_RNA)
where:
Base-Base interactions energy: -30.212
where: short stacking energy: -13.859
Base-Backbone interact. energy: -0.100
local terms energy: -39.456038
where:
bonds (distance) C4'-P energy: -7.014
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -9.559
flat angles P-C4'-P energy: -8.562
tors. eta vs tors. theta energy: -1.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -53.088917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.088917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.088917 (E_RNA)
where:
Base-Base interactions energy: -19.963
where: short stacking energy: -11.596
Base-Backbone interact. energy: -0.240
local terms energy: -32.886175
where:
bonds (distance) C4'-P energy: -11.257
bonds (distance) P-C4' energy: -8.672
flat angles C4'-P-C4' energy: -9.110
flat angles P-C4'-P energy: -3.653
tors. eta vs tors. theta energy: -0.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -159.924700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.924700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.924700 (E_RNA)
where:
Base-Base interactions energy: -103.742
where: short stacking energy: -41.546
Base-Backbone interact. energy: 0.514
local terms energy: -56.696997
where:
bonds (distance) C4'-P energy: -11.310
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -7.687
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: 2, replica: 1
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -153.851906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.851906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.851906 (E_RNA)
where:
Base-Base interactions energy: -102.607
where: short stacking energy: -35.851
Base-Backbone interact. energy: -0.109
local terms energy: -51.136011
where:
bonds (distance) C4'-P energy: -11.932
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -11.664
flat angles P-C4'-P energy: -5.541
tors. eta vs tors. theta energy: -10.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -147.460436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.460436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.460436 (E_RNA)
where:
Base-Base interactions energy: -98.595
where: short stacking energy: -40.257
Base-Backbone interact. energy: 0.105
local terms energy: -48.971099
where:
bonds (distance) C4'-P energy: -7.232
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -12.133
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -7.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -125.664954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.664954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.664954 (E_RNA)
where:
Base-Base interactions energy: -83.700
where: short stacking energy: -32.941
Base-Backbone interact. energy: 0.448
local terms energy: -42.412677
where:
bonds (distance) C4'-P energy: -9.212
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -7.735
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -5.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -125.563424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.563424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.563424 (E_RNA)
where:
Base-Base interactions energy: -85.447
where: short stacking energy: -33.197
Base-Backbone interact. energy: -0.004
local terms energy: -40.112243
where:
bonds (distance) C4'-P energy: -3.159
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -11.566
flat angles P-C4'-P energy: -7.995
tors. eta vs tors. theta energy: -5.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -75.011112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.011112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.011112 (E_RNA)
where:
Base-Base interactions energy: -35.136
where: short stacking energy: -16.980
Base-Backbone interact. energy: -1.159
local terms energy: -38.715625
where:
bonds (distance) C4'-P energy: -8.068
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -8.331
flat angles P-C4'-P energy: -7.892
tors. eta vs tors. theta energy: -0.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -74.558478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.558478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.558478 (E_RNA)
where:
Base-Base interactions energy: -23.907
where: short stacking energy: -20.943
Base-Backbone interact. energy: -0.214
local terms energy: -50.437105
where:
bonds (distance) C4'-P energy: -9.514
bonds (distance) P-C4' energy: -11.246
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -7.365
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: 8, replica: 2
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -66.724276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.724276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.724276 (E_RNA)
where:
Base-Base interactions energy: -34.922
where: short stacking energy: -19.397
Base-Backbone interact. energy: -1.180
local terms energy: -30.622384
where:
bonds (distance) C4'-P energy: -4.641
bonds (distance) P-C4' energy: -11.230
flat angles C4'-P-C4' energy: -8.428
flat angles P-C4'-P energy: -7.686
tors. eta vs tors. theta energy: 1.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -58.001213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.001213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.001213 (E_RNA)
where:
Base-Base interactions energy: -21.206
where: short stacking energy: -17.146
Base-Backbone interact. energy: -0.087
local terms energy: -36.708739
where:
bonds (distance) C4'-P energy: -7.543
bonds (distance) P-C4' energy: -11.063
flat angles C4'-P-C4' energy: -11.501
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: 0.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -81.002183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.002183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.002183 (E_RNA)
where:
Base-Base interactions energy: -33.278
where: short stacking energy: -19.062
Base-Backbone interact. energy: -0.251
local terms energy: -47.472841
where:
bonds (distance) C4'-P energy: -13.397
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -7.493
flat angles P-C4'-P energy: -7.274
tors. eta vs tors. theta energy: -6.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -163.809838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.809838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.809838 (E_RNA)
where:
Base-Base interactions energy: -111.403
where: short stacking energy: -45.685
Base-Backbone interact. energy: -0.003
local terms energy: -52.403921
where:
bonds (distance) C4'-P energy: -10.821
bonds (distance) P-C4' energy: -10.554
flat angles C4'-P-C4' energy: -12.048
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -11.112
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: 6
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -153.305042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.305042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.305042 (E_RNA)
where:
Base-Base interactions energy: -99.812
where: short stacking energy: -48.823
Base-Backbone interact. energy: -0.020
local terms energy: -53.473278
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -10.343
flat angles C4'-P-C4' energy: -11.729
flat angles P-C4'-P energy: -8.175
tors. eta vs tors. theta energy: -11.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -139.102175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.102175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.102175 (E_RNA)
where:
Base-Base interactions energy: -84.184
where: short stacking energy: -47.880
Base-Backbone interact. energy: -0.095
local terms energy: -54.822976
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -11.352
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: -6.005
tors. eta vs tors. theta energy: -13.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -144.281624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.281624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.281624 (E_RNA)
where:
Base-Base interactions energy: -92.184
where: short stacking energy: -32.524
Base-Backbone interact. energy: -0.330
local terms energy: -51.767466
where:
bonds (distance) C4'-P energy: -12.097
bonds (distance) P-C4' energy: -11.776
flat angles C4'-P-C4' energy: -11.884
flat angles P-C4'-P energy: -4.938
tors. eta vs tors. theta energy: -11.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -112.993802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.993802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.993802 (E_RNA)
where:
Base-Base interactions energy: -70.301
where: short stacking energy: -16.483
Base-Backbone interact. energy: -0.180
local terms energy: -42.511996
where:
bonds (distance) C4'-P energy: -11.626
bonds (distance) P-C4' energy: -9.292
flat angles C4'-P-C4' energy: -7.415
flat angles P-C4'-P energy: -7.184
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: 6, replica: 9
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -65.028855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.028855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.028855 (E_RNA)
where:
Base-Base interactions energy: -23.406
where: short stacking energy: -17.725
Base-Backbone interact. energy: 0.677
local terms energy: -42.300522
where:
bonds (distance) C4'-P energy: -9.140
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -7.184
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -4.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -70.609828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.609828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.609828 (E_RNA)
where:
Base-Base interactions energy: -29.561
where: short stacking energy: -19.626
Base-Backbone interact. energy: -0.017
local terms energy: -41.031863
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -11.164
flat angles C4'-P-C4' energy: -7.611
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -2.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -57.153550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.153550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.153550 (E_RNA)
where:
Base-Base interactions energy: -17.987
where: short stacking energy: -16.063
Base-Backbone interact. energy: 0.325
local terms energy: -39.492010
where:
bonds (distance) C4'-P energy: -9.738
bonds (distance) P-C4' energy: -11.162
flat angles C4'-P-C4' energy: -10.468
flat angles P-C4'-P energy: -7.261
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: 2
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -59.949102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.949102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.949102 (E_RNA)
where:
Base-Base interactions energy: -18.080
where: short stacking energy: -13.531
Base-Backbone interact. energy: -0.762
local terms energy: -41.106642
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -12.010
flat angles C4'-P-C4' energy: -7.387
flat angles P-C4'-P energy: -6.201
tors. eta vs tors. theta energy: -3.019
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: 10, replica: 5
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -56.882182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.882182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.882182 (E_RNA)
where:
Base-Base interactions energy: -22.586
where: short stacking energy: -21.826
Base-Backbone interact. energy: -0.201
local terms energy: -34.095352
where:
bonds (distance) C4'-P energy: -3.957
bonds (distance) P-C4' energy: -7.164
flat angles C4'-P-C4' energy: -12.236
flat angles P-C4'-P energy: -5.154
tors. eta vs tors. theta energy: -5.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -161.853182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.853182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.853182 (E_RNA)
where:
Base-Base interactions energy: -109.930
where: short stacking energy: -42.932
Base-Backbone interact. energy: -0.071
local terms energy: -51.852216
where:
bonds (distance) C4'-P energy: -9.510
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -10.342
flat angles P-C4'-P energy: -6.914
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: 2, replica: 6
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -151.169412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.169412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.169412 (E_RNA)
where:
Base-Base interactions energy: -97.375
where: short stacking energy: -40.597
Base-Backbone interact. energy: -0.222
local terms energy: -53.572962
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -11.235
flat angles C4'-P-C4' energy: -12.331
flat angles P-C4'-P energy: -8.887
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: 3, replica: 8
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -144.464764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.464764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.464764 (E_RNA)
where:
Base-Base interactions energy: -95.949
where: short stacking energy: -38.225
Base-Backbone interact. energy: -0.142
local terms energy: -48.374083
where:
bonds (distance) C4'-P energy: -7.209
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -1.697
tors. eta vs tors. theta energy: -11.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -142.465279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.465279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.465279 (E_RNA)
where:
Base-Base interactions energy: -83.180
where: short stacking energy: -40.967
Base-Backbone interact. energy: -0.001
local terms energy: -59.284636
where:
bonds (distance) C4'-P energy: -9.158
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: -14.997
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: 4
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -111.861953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.861953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.861953 (E_RNA)
where:
Base-Base interactions energy: -66.327
where: short stacking energy: -25.921
Base-Backbone interact. energy: -0.013
local terms energy: -45.521844
where:
bonds (distance) C4'-P energy: -8.247
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -10.240
flat angles P-C4'-P energy: -6.456
tors. eta vs tors. theta energy: -7.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -71.030917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.030917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.030917 (E_RNA)
where:
Base-Base interactions energy: -33.690
where: short stacking energy: -22.318
Base-Backbone interact. energy: -0.059
local terms energy: -37.281840
where:
bonds (distance) C4'-P energy: -11.902
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -5.298
flat angles P-C4'-P energy: -3.203
tors. eta vs tors. theta energy: -3.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -65.507636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.507636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.507636 (E_RNA)
where:
Base-Base interactions energy: -23.048
where: short stacking energy: -23.048
Base-Backbone interact. energy: 0.203
local terms energy: -42.662876
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -8.708
flat angles P-C4'-P energy: -4.785
tors. eta vs tors. theta energy: -3.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -66.452791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.452791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.452791 (E_RNA)
where:
Base-Base interactions energy: -22.762
where: short stacking energy: -18.072
Base-Backbone interact. energy: -0.013
local terms energy: -43.677908
where:
bonds (distance) C4'-P energy: -11.302
bonds (distance) P-C4' energy: -9.724
flat angles C4'-P-C4' energy: -9.796
flat angles P-C4'-P energy: -6.778
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: 5
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -62.245063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.245063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.245063 (E_RNA)
where:
Base-Base interactions energy: -26.787
where: short stacking energy: -21.203
Base-Backbone interact. energy: 0.849
local terms energy: -36.307903
where:
bonds (distance) C4'-P energy: -10.396
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -7.495
flat angles P-C4'-P energy: -3.217
tors. eta vs tors. theta energy: -0.988
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: 2
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -59.189911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.189911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.189911 (E_RNA)
where:
Base-Base interactions energy: -21.871
where: short stacking energy: -8.081
Base-Backbone interact. energy: -0.209
local terms energy: -37.109623
where:
bonds (distance) C4'-P energy: -9.178
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -10.140
flat angles P-C4'-P energy: -4.195
tors. eta vs tors. theta energy: -0.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -147.168592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.168592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.168592 (E_RNA)
where:
Base-Base interactions energy: -88.088
where: short stacking energy: -42.834
Base-Backbone interact. energy: -0.082
local terms energy: -58.998569
where:
bonds (distance) C4'-P energy: -10.616
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -7.076
tors. eta vs tors. theta energy: -14.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -158.897228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.897228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.897228 (E_RNA)
where:
Base-Base interactions energy: -107.626
where: short stacking energy: -37.782
Base-Backbone interact. energy: 0.288
local terms energy: -51.559225
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -4.551
tors. eta vs tors. theta energy: -10.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -141.979954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.979954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.979954 (E_RNA)
where:
Base-Base interactions energy: -85.385
where: short stacking energy: -33.171
Base-Backbone interact. energy: -0.184
local terms energy: -56.410915
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -11.739
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -11.638
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: 1
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -137.685962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.685962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.685962 (E_RNA)
where:
Base-Base interactions energy: -85.513
where: short stacking energy: -28.397
Base-Backbone interact. energy: -0.471
local terms energy: -51.702630
where:
bonds (distance) C4'-P energy: -11.459
bonds (distance) P-C4' energy: -9.482
flat angles C4'-P-C4' energy: -11.555
flat angles P-C4'-P energy: -8.099
tors. eta vs tors. theta energy: -11.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -108.584123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.584123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.584123 (E_RNA)
where:
Base-Base interactions energy: -61.567
where: short stacking energy: -29.746
Base-Backbone interact. energy: -0.134
local terms energy: -46.883115
where:
bonds (distance) C4'-P energy: -10.901
bonds (distance) P-C4' energy: -11.973
flat angles C4'-P-C4' energy: -10.530
flat angles P-C4'-P energy: -4.407
tors. eta vs tors. theta energy: -9.072
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: 6, replica: 3
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -67.624166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.624166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.624166 (E_RNA)
where:
Base-Base interactions energy: -24.421
where: short stacking energy: -16.936
Base-Backbone interact. energy: -0.050
local terms energy: -43.153056
where:
bonds (distance) C4'-P energy: -12.383
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -11.064
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: 1.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -75.029863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.029863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.029863 (E_RNA)
where:
Base-Base interactions energy: -29.976
where: short stacking energy: -17.518
Base-Backbone interact. energy: -0.089
local terms energy: -44.965111
where:
bonds (distance) C4'-P energy: -11.054
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -3.440
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: 8, replica: 5
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -68.105085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.105085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.105085 (E_RNA)
where:
Base-Base interactions energy: -26.257
where: short stacking energy: -26.257
Base-Backbone interact. energy: -0.023
local terms energy: -41.825550
where:
bonds (distance) C4'-P energy: -9.668
bonds (distance) P-C4' energy: -6.584
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -6.653
tors. eta vs tors. theta energy: -6.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -56.085773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.085773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.085773 (E_RNA)
where:
Base-Base interactions energy: -29.647
where: short stacking energy: -9.538
Base-Backbone interact. energy: -0.123
local terms energy: -26.315564
where:
bonds (distance) C4'-P energy: -9.323
bonds (distance) P-C4' energy: -10.201
flat angles C4'-P-C4' energy: -7.655
flat angles P-C4'-P energy: -2.398
tors. eta vs tors. theta energy: 3.261
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: 2
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -61.298466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.298466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.298466 (E_RNA)
where:
Base-Base interactions energy: -17.610
where: short stacking energy: -17.610
Base-Backbone interact. energy: -0.136
local terms energy: -43.551858
where:
bonds (distance) C4'-P energy: -7.339
bonds (distance) P-C4' energy: -10.286
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -4.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -160.214697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.214697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.214697 (E_RNA)
where:
Base-Base interactions energy: -104.006
where: short stacking energy: -36.083
Base-Backbone interact. energy: -0.178
local terms energy: -56.031076
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -11.045
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -10.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -142.676699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.676699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.676699 (E_RNA)
where:
Base-Base interactions energy: -90.890
where: short stacking energy: -41.332
Base-Backbone interact. energy: -0.067
local terms energy: -51.719824
where:
bonds (distance) C4'-P energy: -12.366
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -10.038
flat angles P-C4'-P energy: -3.077
tors. eta vs tors. theta energy: -12.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -128.609145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.609145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.609145 (E_RNA)
where:
Base-Base interactions energy: -81.537
where: short stacking energy: -28.259
Base-Backbone interact. energy: -0.464
local terms energy: -46.607755
where:
bonds (distance) C4'-P energy: -10.504
bonds (distance) P-C4' energy: -11.707
flat angles C4'-P-C4' energy: -11.419
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -3.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -128.193678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.193678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.193678 (E_RNA)
where:
Base-Base interactions energy: -79.942
where: short stacking energy: -35.092
Base-Backbone interact. energy: -0.011
local terms energy: -48.240850
where:
bonds (distance) C4'-P energy: -8.441
bonds (distance) P-C4' energy: -10.948
flat angles C4'-P-C4' energy: -10.630
flat angles P-C4'-P energy: -7.461
tors. eta vs tors. theta energy: -10.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -101.116965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.116965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.116965 (E_RNA)
where:
Base-Base interactions energy: -66.736
where: short stacking energy: -20.482
Base-Backbone interact. energy: -0.163
local terms energy: -34.217761
where:
bonds (distance) C4'-P energy: -11.343
bonds (distance) P-C4' energy: -11.735
flat angles C4'-P-C4' energy: -7.157
flat angles P-C4'-P energy: -1.697
tors. eta vs tors. theta energy: -2.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -75.231320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.231320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.231320 (E_RNA)
where:
Base-Base interactions energy: -26.147
where: short stacking energy: -25.465
Base-Backbone interact. energy: -0.134
local terms energy: -48.950985
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -10.972
flat angles P-C4'-P energy: -8.520
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: 7, replica: 5
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -74.660802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.660802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.660802 (E_RNA)
where:
Base-Base interactions energy: -36.221
where: short stacking energy: -14.949
Base-Backbone interact. energy: -0.705
local terms energy: -37.734640
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -10.697
flat angles C4'-P-C4' energy: -8.535
flat angles P-C4'-P energy: -6.081
tors. eta vs tors. theta energy: -0.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -70.132181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.132181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.132181 (E_RNA)
where:
Base-Base interactions energy: -23.527
where: short stacking energy: -22.963
Base-Backbone interact. energy: 0.409
local terms energy: -47.014046
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -9.703
flat angles C4'-P-C4' energy: -11.553
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -4.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -68.231291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.231291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.231291 (E_RNA)
where:
Base-Base interactions energy: -32.956
where: short stacking energy: -14.993
Base-Backbone interact. energy: -0.074
local terms energy: -35.201711
where:
bonds (distance) C4'-P energy: -10.254
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -7.194
flat angles P-C4'-P energy: -5.544
tors. eta vs tors. theta energy: -0.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -58.261733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.261733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.261733 (E_RNA)
where:
Base-Base interactions energy: -24.636
where: short stacking energy: -11.543
Base-Backbone interact. energy: -0.058
local terms energy: -33.567946
where:
bonds (distance) C4'-P energy: -4.911
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -3.392
tors. eta vs tors. theta energy: -0.716
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: 83
Temperature: 0.900000
Total energy: -161.758733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.758733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.758733 (E_RNA)
where:
Base-Base interactions energy: -111.528
where: short stacking energy: -40.651
Base-Backbone interact. energy: -0.209
local terms energy: -50.021932
where:
bonds (distance) C4'-P energy: -8.504
bonds (distance) P-C4' energy: -7.940
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -6.670
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: 2, replica: 8
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -128.881227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.881227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.881227 (E_RNA)
where:
Base-Base interactions energy: -81.533
where: short stacking energy: -31.151
Base-Backbone interact. energy: -0.194
local terms energy: -47.153949
where:
bonds (distance) C4'-P energy: -10.831
bonds (distance) P-C4' energy: -11.710
flat angles C4'-P-C4' energy: -8.394
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: -8.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -139.766515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.766515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.766515 (E_RNA)
where:
Base-Base interactions energy: -87.112
where: short stacking energy: -31.580
Base-Backbone interact. energy: -0.008
local terms energy: -52.646904
where:
bonds (distance) C4'-P energy: -10.905
bonds (distance) P-C4' energy: -12.213
flat angles C4'-P-C4' energy: -7.748
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -12.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -132.546101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.546101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.546101 (E_RNA)
where:
Base-Base interactions energy: -84.371
where: short stacking energy: -28.308
Base-Backbone interact. energy: -0.059
local terms energy: -48.115753
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -10.968
flat angles P-C4'-P energy: -6.515
tors. eta vs tors. theta energy: -7.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -132.445405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.445405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.445405 (E_RNA)
where:
Base-Base interactions energy: -85.049
where: short stacking energy: -32.800
Base-Backbone interact. energy: -0.097
local terms energy: -47.299062
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -6.970
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -7.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -81.030505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.030505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.030505 (E_RNA)
where:
Base-Base interactions energy: -38.931
where: short stacking energy: -29.452
Base-Backbone interact. energy: -0.695
local terms energy: -41.404479
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -5.307
flat angles C4'-P-C4' energy: -9.166
flat angles P-C4'-P energy: -6.912
tors. eta vs tors. theta energy: -6.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -71.722002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.722002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.722002 (E_RNA)
where:
Base-Base interactions energy: -31.385
where: short stacking energy: -23.634
Base-Backbone interact. energy: -0.157
local terms energy: -40.179727
where:
bonds (distance) C4'-P energy: -8.798
bonds (distance) P-C4' energy: -12.601
flat angles C4'-P-C4' energy: -11.478
flat angles P-C4'-P energy: -1.829
tors. eta vs tors. theta energy: -5.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -66.266622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.266622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.266622 (E_RNA)
where:
Base-Base interactions energy: -33.414
where: short stacking energy: -23.872
Base-Backbone interact. energy: -0.203
local terms energy: -32.649765
where:
bonds (distance) C4'-P energy: -11.286
bonds (distance) P-C4' energy: -5.864
flat angles C4'-P-C4' energy: -7.669
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: 0.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -58.137158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.137158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.137158 (E_RNA)
where:
Base-Base interactions energy: -17.401
where: short stacking energy: -13.695
Base-Backbone interact. energy: -0.210
local terms energy: -40.526176
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -11.736
flat angles C4'-P-C4' energy: -9.267
flat angles P-C4'-P energy: -6.039
tors. eta vs tors. theta energy: -0.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -79.964621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.964621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.964621 (E_RNA)
where:
Base-Base interactions energy: -28.590
where: short stacking energy: -21.615
Base-Backbone interact. energy: -0.074
local terms energy: -51.300825
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -9.512
flat angles P-C4'-P energy: -6.600
tors. eta vs tors. theta energy: -8.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -150.358053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.358053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.358053 (E_RNA)
where:
Base-Base interactions energy: -92.376
where: short stacking energy: -41.652
Base-Backbone interact. energy: 0.079
local terms energy: -58.061906
where:
bonds (distance) C4'-P energy: -11.716
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -11.028
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -12.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -140.551472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.551472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.551472 (E_RNA)
where:
Base-Base interactions energy: -88.068
where: short stacking energy: -35.482
Base-Backbone interact. energy: -0.019
local terms energy: -52.463797
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -4.697
tors. eta vs tors. theta energy: -11.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -135.456944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.456944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.456944 (E_RNA)
where:
Base-Base interactions energy: -84.144
where: short stacking energy: -39.167
Base-Backbone interact. energy: -0.051
local terms energy: -51.262261
where:
bonds (distance) C4'-P energy: -9.099
bonds (distance) P-C4' energy: -14.901
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -1.863
tors. eta vs tors. theta energy: -13.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -140.875650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.875650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.875650 (E_RNA)
where:
Base-Base interactions energy: -89.132
where: short stacking energy: -29.776
Base-Backbone interact. energy: -0.138
local terms energy: -51.606129
where:
bonds (distance) C4'-P energy: -12.010
bonds (distance) P-C4' energy: -12.660
flat angles C4'-P-C4' energy: -9.136
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -9.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -127.728219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.728219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.728219 (E_RNA)
where:
Base-Base interactions energy: -84.840
where: short stacking energy: -24.814
Base-Backbone interact. energy: -0.053
local terms energy: -42.835236
where:
bonds (distance) C4'-P energy: -11.588
bonds (distance) P-C4' energy: -9.349
flat angles C4'-P-C4' energy: -9.107
flat angles P-C4'-P energy: -6.762
tors. eta vs tors. theta energy: -6.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -72.310459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.310459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.310459 (E_RNA)
where:
Base-Base interactions energy: -28.562
where: short stacking energy: -24.869
Base-Backbone interact. energy: -0.174
local terms energy: -43.573854
where:
bonds (distance) C4'-P energy: -11.430
bonds (distance) P-C4' energy: -12.154
flat angles C4'-P-C4' energy: -8.801
flat angles P-C4'-P energy: -6.820
tors. eta vs tors. theta energy: -4.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -73.724127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.724127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.724127 (E_RNA)
where:
Base-Base interactions energy: -32.761
where: short stacking energy: -17.017
Base-Backbone interact. energy: -0.029
local terms energy: -40.934299
where:
bonds (distance) C4'-P energy: -11.289
bonds (distance) P-C4' energy: -8.150
flat angles C4'-P-C4' energy: -9.688
flat angles P-C4'-P energy: -7.503
tors. eta vs tors. theta energy: -4.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -72.490081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.490081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.490081 (E_RNA)
where:
Base-Base interactions energy: -26.966
where: short stacking energy: -26.966
Base-Backbone interact. energy: -0.030
local terms energy: -45.493726
where:
bonds (distance) C4'-P energy: -8.670
bonds (distance) P-C4' energy: -10.569
flat angles C4'-P-C4' energy: -10.119
flat angles P-C4'-P energy: -5.764
tors. eta vs tors. theta energy: -10.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -64.558017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.558017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.558017 (E_RNA)
where:
Base-Base interactions energy: -16.189
where: short stacking energy: -15.952
Base-Backbone interact. energy: -0.160
local terms energy: -48.209168
where:
bonds (distance) C4'-P energy: -9.423
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -8.449
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: 9
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -54.911330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.911330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.911330 (E_RNA)
where:
Base-Base interactions energy: -22.072
where: short stacking energy: -6.184
Base-Backbone interact. energy: -0.141
local terms energy: -32.697493
where:
bonds (distance) C4'-P energy: -7.124
bonds (distance) P-C4' energy: -9.137
flat angles C4'-P-C4' energy: -10.597
flat angles P-C4'-P energy: -5.098
tors. eta vs tors. theta energy: -0.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -157.946647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.946647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.946647 (E_RNA)
where:
Base-Base interactions energy: -102.601
where: short stacking energy: -40.215
Base-Backbone interact. energy: -0.010
local terms energy: -55.335663
where:
bonds (distance) C4'-P energy: -13.111
bonds (distance) P-C4' energy: -11.503
flat angles C4'-P-C4' energy: -10.914
flat angles P-C4'-P energy: -6.142
tors. eta vs tors. theta energy: -13.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -153.037380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.037380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.037380 (E_RNA)
where:
Base-Base interactions energy: -99.330
where: short stacking energy: -34.727
Base-Backbone interact. energy: -0.032
local terms energy: -53.675261
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -10.634
flat angles C4'-P-C4' energy: -9.855
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -12.020
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: 3, replica: 10
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -136.157694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.157694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.157694 (E_RNA)
where:
Base-Base interactions energy: -84.482
where: short stacking energy: -33.687
Base-Backbone interact. energy: -0.171
local terms energy: -51.504502
where:
bonds (distance) C4'-P energy: -12.329
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -5.270
tors. eta vs tors. theta energy: -7.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -136.597511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.597511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.597511 (E_RNA)
where:
Base-Base interactions energy: -83.455
where: short stacking energy: -30.394
Base-Backbone interact. energy: -0.093
local terms energy: -53.049073
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -12.153
flat angles P-C4'-P energy: -5.070
tors. eta vs tors. theta energy: -10.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -135.591950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.591950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.591950 (E_RNA)
where:
Base-Base interactions energy: -86.041
where: short stacking energy: -24.347
Base-Backbone interact. energy: -0.280
local terms energy: -49.271805
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -6.447
flat angles P-C4'-P energy: -6.592
tors. eta vs tors. theta energy: -10.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -77.813388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.813388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.813388 (E_RNA)
where:
Base-Base interactions energy: -33.153
where: short stacking energy: -33.153
Base-Backbone interact. energy: -0.147
local terms energy: -44.513225
where:
bonds (distance) C4'-P energy: -11.903
bonds (distance) P-C4' energy: -7.885
flat angles C4'-P-C4' energy: -6.234
flat angles P-C4'-P energy: -7.565
tors. eta vs tors. theta energy: -10.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -66.851844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.851844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.851844 (E_RNA)
where:
Base-Base interactions energy: -26.112
where: short stacking energy: -8.414
Base-Backbone interact. energy: -0.197
local terms energy: -40.543262
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: 3.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -62.537026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.537026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.537026 (E_RNA)
where:
Base-Base interactions energy: -30.886
where: short stacking energy: -25.472
Base-Backbone interact. energy: -0.211
local terms energy: -31.440341
where:
bonds (distance) C4'-P energy: -8.457
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -5.695
flat angles P-C4'-P energy: -1.618
tors. eta vs tors. theta energy: -2.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -72.643200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.643200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.643200 (E_RNA)
where:
Base-Base interactions energy: -34.631
where: short stacking energy: -17.611
Base-Backbone interact. energy: 0.127
local terms energy: -38.138632
where:
bonds (distance) C4'-P energy: -10.678
bonds (distance) P-C4' energy: -11.207
flat angles C4'-P-C4' energy: -9.940
flat angles P-C4'-P energy: -4.931
tors. eta vs tors. theta energy: -1.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -58.421575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.421575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.421575 (E_RNA)
where:
Base-Base interactions energy: -18.263
where: short stacking energy: -18.263
Base-Backbone interact. energy: -0.006
local terms energy: -40.152973
where:
bonds (distance) C4'-P energy: -12.167
bonds (distance) P-C4' energy: -10.715
flat angles C4'-P-C4' energy: -10.066
flat angles P-C4'-P energy: -6.929
tors. eta vs tors. theta energy: -0.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -157.888012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.888012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.888012 (E_RNA)
where:
Base-Base interactions energy: -104.112
where: short stacking energy: -35.937
Base-Backbone interact. energy: -0.082
local terms energy: -53.694615
where:
bonds (distance) C4'-P energy: -10.818
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -10.497
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: -11.896
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: 86
Temperature: 0.950000
Total energy: -149.657572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.657572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.657572 (E_RNA)
where:
Base-Base interactions energy: -92.774
where: short stacking energy: -46.790
Base-Backbone interact. energy: -0.082
local terms energy: -56.801108
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -11.721
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -7.531
tors. eta vs tors. theta energy: -11.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -137.769298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.769298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.769298 (E_RNA)
where:
Base-Base interactions energy: -85.436
where: short stacking energy: -31.177
Base-Backbone interact. energy: -0.632
local terms energy: -51.701736
where:
bonds (distance) C4'-P energy: -9.092
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -10.709
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: -10.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -144.601054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.601054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.601054 (E_RNA)
where:
Base-Base interactions energy: -93.956
where: short stacking energy: -35.167
Base-Backbone interact. energy: -0.003
local terms energy: -50.642902
where:
bonds (distance) C4'-P energy: -11.588
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -4.393
tors. eta vs tors. theta energy: -10.832
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: 2
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -83.947277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.947277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.947277 (E_RNA)
where:
Base-Base interactions energy: -37.008
where: short stacking energy: -18.210
Base-Backbone interact. energy: -0.170
local terms energy: -46.769672
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -10.418
flat angles P-C4'-P energy: -7.079
tors. eta vs tors. theta energy: -3.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -100.112742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.112742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.112742 (E_RNA)
where:
Base-Base interactions energy: -57.379
where: short stacking energy: -24.652
Base-Backbone interact. energy: -0.843
local terms energy: -41.890741
where:
bonds (distance) C4'-P energy: -12.448
bonds (distance) P-C4' energy: -7.745
flat angles C4'-P-C4' energy: -10.390
flat angles P-C4'-P energy: -6.192
tors. eta vs tors. theta energy: -5.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -71.621647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.621647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.621647 (E_RNA)
where:
Base-Base interactions energy: -30.681
where: short stacking energy: -25.931
Base-Backbone interact. energy: -0.017
local terms energy: -40.923719
where:
bonds (distance) C4'-P energy: -10.268
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -6.496
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -1.676
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: 8, replica: 5
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -66.672793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.672793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.672793 (E_RNA)
where:
Base-Base interactions energy: -20.132
where: short stacking energy: -8.891
Base-Backbone interact. energy: -0.551
local terms energy: -45.990133
where:
bonds (distance) C4'-P energy: -12.945
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -11.045
flat angles P-C4'-P energy: -6.349
tors. eta vs tors. theta energy: -3.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -60.816880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.816880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.816880 (E_RNA)
where:
Base-Base interactions energy: -25.650
where: short stacking energy: -25.650
Base-Backbone interact. energy: -0.071
local terms energy: -35.095296
where:
bonds (distance) C4'-P energy: -8.777
bonds (distance) P-C4' energy: -11.321
flat angles C4'-P-C4' energy: -7.414
flat angles P-C4'-P energy: -2.310
tors. eta vs tors. theta energy: -5.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -57.610359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.610359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.610359 (E_RNA)
where:
Base-Base interactions energy: -22.937
where: short stacking energy: -21.787
Base-Backbone interact. energy: -0.019
local terms energy: -34.654676
where:
bonds (distance) C4'-P energy: -8.267
bonds (distance) P-C4' energy: -8.808
flat angles C4'-P-C4' energy: -6.324
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -3.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -147.493051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.493051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.493051 (E_RNA)
where:
Base-Base interactions energy: -93.394
where: short stacking energy: -40.552
Base-Backbone interact. energy: -0.013
local terms energy: -54.085874
where:
bonds (distance) C4'-P energy: -9.389
bonds (distance) P-C4' energy: -12.274
flat angles C4'-P-C4' energy: -11.573
flat angles P-C4'-P energy: -7.954
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: 2, replica: 8
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -157.558625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.558625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.558625 (E_RNA)
where:
Base-Base interactions energy: -104.442
where: short stacking energy: -37.615
Base-Backbone interact. energy: -0.191
local terms energy: -52.925715
where:
bonds (distance) C4'-P energy: -11.807
bonds (distance) P-C4' energy: -10.074
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -8.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -139.343860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.343860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.343860 (E_RNA)
where:
Base-Base interactions energy: -89.176
where: short stacking energy: -34.486
Base-Backbone interact. energy: -0.003
local terms energy: -50.164676
where:
bonds (distance) C4'-P energy: -10.321
bonds (distance) P-C4' energy: -11.215
flat angles C4'-P-C4' energy: -8.760
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -10.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -134.779834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.779834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.779834 (E_RNA)
where:
Base-Base interactions energy: -89.288
where: short stacking energy: -38.152
Base-Backbone interact. energy: -0.021
local terms energy: -45.471010
where:
bonds (distance) C4'-P energy: -10.908
bonds (distance) P-C4' energy: -9.355
flat angles C4'-P-C4' energy: -10.578
flat angles P-C4'-P energy: -5.604
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: 5, replica: 2
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -67.692696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.692696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.692696 (E_RNA)
where:
Base-Base interactions energy: -19.470
where: short stacking energy: -19.470
Base-Backbone interact. energy: -0.004
local terms energy: -48.218489
where:
bonds (distance) C4'-P energy: -11.840
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -9.053
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -2.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -105.090933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.090933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.090933 (E_RNA)
where:
Base-Base interactions energy: -62.548
where: short stacking energy: -23.003
Base-Backbone interact. energy: -0.176
local terms energy: -42.367000
where:
bonds (distance) C4'-P energy: -7.662
bonds (distance) P-C4' energy: -11.337
flat angles C4'-P-C4' energy: -10.277
flat angles P-C4'-P energy: -8.231
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: 7, replica: 7
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -79.739734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.739734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.739734 (E_RNA)
where:
Base-Base interactions energy: -36.238
where: short stacking energy: -8.617
Base-Backbone interact. energy: 0.401
local terms energy: -43.903279
where:
bonds (distance) C4'-P energy: -9.853
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -10.201
flat angles P-C4'-P energy: -6.475
tors. eta vs tors. theta energy: -3.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -66.106066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.106066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.106066 (E_RNA)
where:
Base-Base interactions energy: -25.368
where: short stacking energy: -25.002
Base-Backbone interact. energy: 0.969
local terms energy: -41.707398
where:
bonds (distance) C4'-P energy: -6.526
bonds (distance) P-C4' energy: -9.007
flat angles C4'-P-C4' energy: -9.124
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -8.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -53.472125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.472125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.472125 (E_RNA)
where:
Base-Base interactions energy: -16.853
where: short stacking energy: -11.132
Base-Backbone interact. energy: 0.294
local terms energy: -36.912971
where:
bonds (distance) C4'-P energy: -10.325
bonds (distance) P-C4' energy: -11.092
flat angles C4'-P-C4' energy: -11.019
flat angles P-C4'-P energy: -3.595
tors. eta vs tors. theta energy: -0.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -64.080070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.080070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.080070 (E_RNA)
where:
Base-Base interactions energy: -26.267
where: short stacking energy: -20.181
Base-Backbone interact. energy: 0.439
local terms energy: -38.252800
where:
bonds (distance) C4'-P energy: -9.121
bonds (distance) P-C4' energy: -9.842
flat angles C4'-P-C4' energy: -10.145
flat angles P-C4'-P energy: -5.569
tors. eta vs tors. theta energy: -3.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -142.863482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.863482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.863482 (E_RNA)
where:
Base-Base interactions energy: -95.931
where: short stacking energy: -35.161
Base-Backbone interact. energy: 0.808
local terms energy: -47.740593
where:
bonds (distance) C4'-P energy: -8.843
bonds (distance) P-C4' energy: -13.892
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -3.531
tors. eta vs tors. theta energy: -7.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -142.884782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.884782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.884782 (E_RNA)
where:
Base-Base interactions energy: -87.449
where: short stacking energy: -39.689
Base-Backbone interact. energy: -0.884
local terms energy: -54.551890
where:
bonds (distance) C4'-P energy: -9.878
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -10.270
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: -12.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -136.718495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.718495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.718495 (E_RNA)
where:
Base-Base interactions energy: -95.214
where: short stacking energy: -30.279
Base-Backbone interact. energy: -0.150
local terms energy: -41.354879
where:
bonds (distance) C4'-P energy: -8.240
bonds (distance) P-C4' energy: -10.489
flat angles C4'-P-C4' energy: -6.806
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -7.572
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: 1
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -137.503067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.503067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.503067 (E_RNA)
where:
Base-Base interactions energy: -83.794
where: short stacking energy: -30.231
Base-Backbone interact. energy: -1.201
local terms energy: -52.507623
where:
bonds (distance) C4'-P energy: -11.745
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -9.189
flat angles P-C4'-P energy: -7.655
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: 5, replica: 4
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -91.565037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.565037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.565037 (E_RNA)
where:
Base-Base interactions energy: -48.134
where: short stacking energy: -21.782
Base-Backbone interact. energy: -0.073
local terms energy: -43.358566
where:
bonds (distance) C4'-P energy: -8.914
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: -0.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -64.606792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.606792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.606792 (E_RNA)
where:
Base-Base interactions energy: -33.509
where: short stacking energy: -27.698
Base-Backbone interact. energy: -0.018
local terms energy: -31.079500
where:
bonds (distance) C4'-P energy: -6.798
bonds (distance) P-C4' energy: -9.899
flat angles C4'-P-C4' energy: -6.102
flat angles P-C4'-P energy: -5.224
tors. eta vs tors. theta energy: -3.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -65.058285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.058285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.058285 (E_RNA)
where:
Base-Base interactions energy: -28.164
where: short stacking energy: -24.050
Base-Backbone interact. energy: -0.051
local terms energy: -36.842726
where:
bonds (distance) C4'-P energy: -11.174
bonds (distance) P-C4' energy: -8.764
flat angles C4'-P-C4' energy: -4.566
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -4.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -70.220077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.220077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.220077 (E_RNA)
where:
Base-Base interactions energy: -30.250
where: short stacking energy: -8.754
Base-Backbone interact. energy: -0.588
local terms energy: -39.381844
where:
bonds (distance) C4'-P energy: -5.195
bonds (distance) P-C4' energy: -11.454
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -4.571
tors. eta vs tors. theta energy: -5.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -70.024391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.024391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.024391 (E_RNA)
where:
Base-Base interactions energy: -33.166
where: short stacking energy: -16.173
Base-Backbone interact. energy: -0.127
local terms energy: -36.731622
where:
bonds (distance) C4'-P energy: -9.063
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -6.313
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -1.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -54.747548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.747548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.747548 (E_RNA)
where:
Base-Base interactions energy: -21.369
where: short stacking energy: -17.071
Base-Backbone interact. energy: -0.485
local terms energy: -32.893337
where:
bonds (distance) C4'-P energy: -7.997
bonds (distance) P-C4' energy: -8.513
flat angles C4'-P-C4' energy: -7.341
flat angles P-C4'-P energy: -8.899
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: 8
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -159.251804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.251804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.251804 (E_RNA)
where:
Base-Base interactions energy: -104.217
where: short stacking energy: -45.468
Base-Backbone interact. energy: -0.004
local terms energy: -55.031591
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -9.029
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -10.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -142.801410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.801410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.801410 (E_RNA)
where:
Base-Base interactions energy: -88.849
where: short stacking energy: -32.575
Base-Backbone interact. energy: -0.143
local terms energy: -53.809519
where:
bonds (distance) C4'-P energy: -12.809
bonds (distance) P-C4' energy: -11.492
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -5.907
tors. eta vs tors. theta energy: -10.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -130.427839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.427839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.427839 (E_RNA)
where:
Base-Base interactions energy: -76.627
where: short stacking energy: -38.486
Base-Backbone interact. energy: -0.276
local terms energy: -53.525231
where:
bonds (distance) C4'-P energy: -12.937
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -11.887
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -8.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -134.628217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.628217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.628217 (E_RNA)
where:
Base-Base interactions energy: -82.035
where: short stacking energy: -35.860
Base-Backbone interact. energy: -0.080
local terms energy: -52.512354
where:
bonds (distance) C4'-P energy: -9.713
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -10.850
flat angles P-C4'-P energy: -6.961
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: 5, replica: 4
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -77.427209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.427209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.427209 (E_RNA)
where:
Base-Base interactions energy: -36.938
where: short stacking energy: -20.965
Base-Backbone interact. energy: -0.290
local terms energy: -40.198492
where:
bonds (distance) C4'-P energy: -5.186
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -9.047
flat angles P-C4'-P energy: -8.825
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: 6, replica: 9
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -75.672057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.672057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.672057 (E_RNA)
where:
Base-Base interactions energy: -33.059
where: short stacking energy: -24.924
Base-Backbone interact. energy: -0.085
local terms energy: -42.528529
where:
bonds (distance) C4'-P energy: -9.950
bonds (distance) P-C4' energy: -8.293
flat angles C4'-P-C4' energy: -10.636
flat angles P-C4'-P energy: -5.744
tors. eta vs tors. theta energy: -7.905
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: 2
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -67.399407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.399407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.399407 (E_RNA)
where:
Base-Base interactions energy: -24.491
where: short stacking energy: -11.233
Base-Backbone interact. energy: -0.278
local terms energy: -42.630342
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -12.131
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -5.627
tors. eta vs tors. theta energy: 0.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -72.825311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.825311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.825311 (E_RNA)
where:
Base-Base interactions energy: -42.194
where: short stacking energy: -16.175
Base-Backbone interact. energy: -0.152
local terms energy: -30.479484
where:
bonds (distance) C4'-P energy: -5.535
bonds (distance) P-C4' energy: -11.307
flat angles C4'-P-C4' energy: -9.487
flat angles P-C4'-P energy: -6.746
tors. eta vs tors. theta energy: 2.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -72.987640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.987640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.987640 (E_RNA)
where:
Base-Base interactions energy: -37.638
where: short stacking energy: -15.842
Base-Backbone interact. energy: -0.661
local terms energy: -34.688154
where:
bonds (distance) C4'-P energy: -8.470
bonds (distance) P-C4' energy: -10.233
flat angles C4'-P-C4' energy: -8.665
flat angles P-C4'-P energy: -6.819
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: 10, replica: 5
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -58.065129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.065129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.065129 (E_RNA)
where:
Base-Base interactions energy: -21.595
where: short stacking energy: -13.113
Base-Backbone interact. energy: -0.060
local terms energy: -36.409855
where:
bonds (distance) C4'-P energy: -11.315
bonds (distance) P-C4' energy: -8.848
flat angles C4'-P-C4' energy: -5.051
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -2.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -158.056990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.056990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.056990 (E_RNA)
where:
Base-Base interactions energy: -99.820
where: short stacking energy: -42.562
Base-Backbone interact. energy: -0.004
local terms energy: -58.233130
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -8.206
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: 2, replica: 10
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -141.947565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.947565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.947565 (E_RNA)
where:
Base-Base interactions energy: -94.480
where: short stacking energy: -38.392
Base-Backbone interact. energy: -0.006
local terms energy: -47.460973
where:
bonds (distance) C4'-P energy: -12.171
bonds (distance) P-C4' energy: -11.228
flat angles C4'-P-C4' energy: -10.662
flat angles P-C4'-P energy: -4.950
tors. eta vs tors. theta energy: -8.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -135.286627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.286627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.286627 (E_RNA)
where:
Base-Base interactions energy: -85.760
where: short stacking energy: -33.243
Base-Backbone interact. energy: -0.747
local terms energy: -48.779505
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -12.135
flat angles C4'-P-C4' energy: -8.011
flat angles P-C4'-P energy: -7.837
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: 4, replica: 1
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -146.175098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.175098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.175098 (E_RNA)
where:
Base-Base interactions energy: -93.906
where: short stacking energy: -39.290
Base-Backbone interact. energy: -0.100
local terms energy: -52.168812
where:
bonds (distance) C4'-P energy: -12.515
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -4.220
tors. eta vs tors. theta energy: -10.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -101.048817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.048817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.048817 (E_RNA)
where:
Base-Base interactions energy: -51.264
where: short stacking energy: -28.179
Base-Backbone interact. energy: -0.010
local terms energy: -49.774479
where:
bonds (distance) C4'-P energy: -10.850
bonds (distance) P-C4' energy: -11.460
flat angles C4'-P-C4' energy: -10.726
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -8.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -116.968542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.968542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.968542 (E_RNA)
where:
Base-Base interactions energy: -65.739
where: short stacking energy: -31.477
Base-Backbone interact. energy: -0.128
local terms energy: -51.101249
where:
bonds (distance) C4'-P energy: -10.412
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -10.617
flat angles P-C4'-P energy: -4.184
tors. eta vs tors. theta energy: -12.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -67.678641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.678641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.678641 (E_RNA)
where:
Base-Base interactions energy: -22.973
where: short stacking energy: -22.323
Base-Backbone interact. energy: -0.093
local terms energy: -44.613085
where:
bonds (distance) C4'-P energy: -10.751
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: -11.768
flat angles P-C4'-P energy: -6.764
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: 8, replica: 2
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -55.866767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.866767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.866767 (E_RNA)
where:
Base-Base interactions energy: -13.049
where: short stacking energy: -13.049
Base-Backbone interact. energy: -0.146
local terms energy: -42.672018
where:
bonds (distance) C4'-P energy: -10.627
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -10.121
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -0.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -65.994589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.994589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.994589 (E_RNA)
where:
Base-Base interactions energy: -31.810
where: short stacking energy: -16.035
Base-Backbone interact. energy: 0.935
local terms energy: -35.119008
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -12.295
flat angles C4'-P-C4' energy: -9.277
flat angles P-C4'-P energy: -4.578
tors. eta vs tors. theta energy: 2.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -78.551354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.551354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.551354 (E_RNA)
where:
Base-Base interactions energy: -42.113
where: short stacking energy: -13.147
Base-Backbone interact. energy: -0.052
local terms energy: -36.386784
where:
bonds (distance) C4'-P energy: -10.074
bonds (distance) P-C4' energy: -11.749
flat angles C4'-P-C4' energy: -5.637
flat angles P-C4'-P energy: -6.390
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: 8
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -155.751416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.751416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.751416 (E_RNA)
where:
Base-Base interactions energy: -94.877
where: short stacking energy: -40.701
Base-Backbone interact. energy: -0.002
local terms energy: -60.872006
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -14.217
flat angles C4'-P-C4' energy: -10.953
flat angles P-C4'-P energy: -8.328
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: 2, replica: 10
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -146.455904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.455904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.455904 (E_RNA)
where:
Base-Base interactions energy: -92.655
where: short stacking energy: -33.621
Base-Backbone interact. energy: -1.085
local terms energy: -52.715751
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -9.745
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -9.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -128.511983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.511983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.511983 (E_RNA)
where:
Base-Base interactions energy: -80.776
where: short stacking energy: -27.967
Base-Backbone interact. energy: -0.043
local terms energy: -47.693671
where:
bonds (distance) C4'-P energy: -9.559
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -12.693
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -4.762
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: 1
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -152.362536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.362536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.362536 (E_RNA)
where:
Base-Base interactions energy: -94.077
where: short stacking energy: -35.646
Base-Backbone interact. energy: -0.025
local terms energy: -58.260915
where:
bonds (distance) C4'-P energy: -12.357
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -11.198
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -11.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -124.259574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.259574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.259574 (E_RNA)
where:
Base-Base interactions energy: -76.155
where: short stacking energy: -37.247
Base-Backbone interact. energy: -0.550
local terms energy: -47.554984
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -8.641
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -5.217
tors. eta vs tors. theta energy: -7.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -120.374688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.374688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.374688 (E_RNA)
where:
Base-Base interactions energy: -75.972
where: short stacking energy: -24.264
Base-Backbone interact. energy: -0.129
local terms energy: -44.272930
where:
bonds (distance) C4'-P energy: -9.571
bonds (distance) P-C4' energy: -11.883
flat angles C4'-P-C4' energy: -8.869
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -4.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -67.949910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.949910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.949910 (E_RNA)
where:
Base-Base interactions energy: -26.755
where: short stacking energy: -19.705
Base-Backbone interact. energy: -0.124
local terms energy: -41.071205
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -2.523
flat angles P-C4'-P energy: -7.349
tors. eta vs tors. theta energy: -5.425
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: 5
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -64.081275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.081275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.081275 (E_RNA)
where:
Base-Base interactions energy: -19.265
where: short stacking energy: -11.886
Base-Backbone interact. energy: -0.194
local terms energy: -44.622250
where:
bonds (distance) C4'-P energy: -11.862
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -5.490
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: 9, replica: 2
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -63.033199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.033199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.033199 (E_RNA)
where:
Base-Base interactions energy: -19.725
where: short stacking energy: -19.725
Base-Backbone interact. energy: -0.010
local terms energy: -43.298219
where:
bonds (distance) C4'-P energy: -7.903
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -5.518
flat angles P-C4'-P energy: -7.763
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: 10, replica: 7
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -91.285060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.285060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.285060 (E_RNA)
where:
Base-Base interactions energy: -55.550
where: short stacking energy: -17.801
Base-Backbone interact. energy: 0.443
local terms energy: -36.178488
where:
bonds (distance) C4'-P energy: -7.348
bonds (distance) P-C4' energy: -11.710
flat angles C4'-P-C4' energy: -10.756
flat angles P-C4'-P energy: -2.600
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: 1, replica: 10
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -139.250398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.250398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.250398 (E_RNA)
where:
Base-Base interactions energy: -87.486
where: short stacking energy: -31.783
Base-Backbone interact. energy: -0.523
local terms energy: -51.241044
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -5.644
tors. eta vs tors. theta energy: -8.149
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: 8
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -156.388062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.388062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.388062 (E_RNA)
where:
Base-Base interactions energy: -104.887
where: short stacking energy: -38.548
Base-Backbone interact. energy: -0.069
local terms energy: -51.432288
where:
bonds (distance) C4'-P energy: -9.691
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -11.405
flat angles P-C4'-P energy: -7.436
tors. eta vs tors. theta energy: -9.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -134.172643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.172643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.172643 (E_RNA)
where:
Base-Base interactions energy: -83.925
where: short stacking energy: -34.189
Base-Backbone interact. energy: -0.006
local terms energy: -50.242275
where:
bonds (distance) C4'-P energy: -10.023
bonds (distance) P-C4' energy: -9.989
flat angles C4'-P-C4' energy: -9.936
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -10.455
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: 92
Temperature: 1.050000
Total energy: -131.696598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.696598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.696598 (E_RNA)
where:
Base-Base interactions energy: -84.584
where: short stacking energy: -37.953
Base-Backbone interact. energy: -0.206
local terms energy: -46.906531
where:
bonds (distance) C4'-P energy: -8.574
bonds (distance) P-C4' energy: -8.479
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -6.784
tors. eta vs tors. theta energy: -11.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -127.310355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.310355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.310355 (E_RNA)
where:
Base-Base interactions energy: -80.859
where: short stacking energy: -32.641
Base-Backbone interact. energy: 0.771
local terms energy: -47.222202
where:
bonds (distance) C4'-P energy: -11.808
bonds (distance) P-C4' energy: -9.940
flat angles C4'-P-C4' energy: -5.348
flat angles P-C4'-P energy: -8.226
tors. eta vs tors. theta energy: -11.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -118.082529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.082529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.082529 (E_RNA)
where:
Base-Base interactions energy: -68.123
where: short stacking energy: -21.894
Base-Backbone interact. energy: -0.158
local terms energy: -49.801453
where:
bonds (distance) C4'-P energy: -10.332
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -12.048
flat angles P-C4'-P energy: -8.830
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: 5
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -66.646876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.646876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.646876 (E_RNA)
where:
Base-Base interactions energy: -22.632
where: short stacking energy: -21.607
Base-Backbone interact. energy: -0.003
local terms energy: -44.011548
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -9.150
flat angles C4'-P-C4' energy: -8.541
flat angles P-C4'-P energy: -6.751
tors. eta vs tors. theta energy: -6.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -59.076921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.076921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.076921 (E_RNA)
where:
Base-Base interactions energy: -14.074
where: short stacking energy: -13.789
Base-Backbone interact. energy: -0.043
local terms energy: -44.959018
where:
bonds (distance) C4'-P energy: -12.296
bonds (distance) P-C4' energy: -11.493
flat angles C4'-P-C4' energy: -10.563
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -1.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -59.859705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.859705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.859705 (E_RNA)
where:
Base-Base interactions energy: -22.593
where: short stacking energy: -22.593
Base-Backbone interact. energy: 0.367
local terms energy: -37.634080
where:
bonds (distance) C4'-P energy: -8.546
bonds (distance) P-C4' energy: -10.013
flat angles C4'-P-C4' energy: -10.006
flat angles P-C4'-P energy: -5.716
tors. eta vs tors. theta energy: -3.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -58.810534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.810534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.810534 (E_RNA)
where:
Base-Base interactions energy: -19.881
where: short stacking energy: -18.232
Base-Backbone interact. energy: -0.067
local terms energy: -38.862735
where:
bonds (distance) C4'-P energy: -5.944
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -6.036
tors. eta vs tors. theta energy: -3.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -160.964126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.964126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.964126 (E_RNA)
where:
Base-Base interactions energy: -108.558
where: short stacking energy: -36.499
Base-Backbone interact. energy: -0.080
local terms energy: -52.326691
where:
bonds (distance) C4'-P energy: -12.093
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -10.182
flat angles P-C4'-P energy: -4.591
tors. eta vs tors. theta energy: -12.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -160.220702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.220702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.220702 (E_RNA)
where:
Base-Base interactions energy: -100.056
where: short stacking energy: -40.748
Base-Backbone interact. energy: -0.200
local terms energy: -59.964949
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -9.198
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: 3, replica: 1
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -137.879188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.879188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.879188 (E_RNA)
where:
Base-Base interactions energy: -92.505
where: short stacking energy: -25.667
Base-Backbone interact. energy: -0.138
local terms energy: -45.235843
where:
bonds (distance) C4'-P energy: -11.058
bonds (distance) P-C4' energy: -10.667
flat angles C4'-P-C4' energy: -9.142
flat angles P-C4'-P energy: -6.549
tors. eta vs tors. theta energy: -7.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -127.517471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.517471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.517471 (E_RNA)
where:
Base-Base interactions energy: -80.788
where: short stacking energy: -34.927
Base-Backbone interact. energy: -0.110
local terms energy: -46.619362
where:
bonds (distance) C4'-P energy: -7.406
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -9.742
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -6.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -123.828194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.828194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.828194 (E_RNA)
where:
Base-Base interactions energy: -75.845
where: short stacking energy: -35.911
Base-Backbone interact. energy: -0.101
local terms energy: -47.882682
where:
bonds (distance) C4'-P energy: -10.379
bonds (distance) P-C4' energy: -7.071
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -8.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -100.391695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.391695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.391695 (E_RNA)
where:
Base-Base interactions energy: -58.972
where: short stacking energy: -21.877
Base-Backbone interact. energy: -0.169
local terms energy: -41.250813
where:
bonds (distance) C4'-P energy: -7.609
bonds (distance) P-C4' energy: -10.708
flat angles C4'-P-C4' energy: -7.194
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -7.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -114.470269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.470269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.470269 (E_RNA)
where:
Base-Base interactions energy: -68.558
where: short stacking energy: -30.126
Base-Backbone interact. energy: -0.195
local terms energy: -45.717204
where:
bonds (distance) C4'-P energy: -11.852
bonds (distance) P-C4' energy: -10.996
flat angles C4'-P-C4' energy: -9.706
flat angles P-C4'-P energy: -5.628
tors. eta vs tors. theta energy: -7.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -62.061418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.061418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.061418 (E_RNA)
where:
Base-Base interactions energy: -23.136
where: short stacking energy: -18.638
Base-Backbone interact. energy: -0.229
local terms energy: -38.696634
where:
bonds (distance) C4'-P energy: -10.209
bonds (distance) P-C4' energy: -9.905
flat angles C4'-P-C4' energy: -11.657
flat angles P-C4'-P energy: -6.036
tors. eta vs tors. theta energy: -0.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -55.247280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.247280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.247280 (E_RNA)
where:
Base-Base interactions energy: -21.119
where: short stacking energy: -21.119
Base-Backbone interact. energy: -0.100
local terms energy: -34.028349
where:
bonds (distance) C4'-P energy: -9.196
bonds (distance) P-C4' energy: -6.244
flat angles C4'-P-C4' energy: -10.133
flat angles P-C4'-P energy: -4.182
tors. eta vs tors. theta energy: -4.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -57.998106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.998106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.998106 (E_RNA)
where:
Base-Base interactions energy: -24.243
where: short stacking energy: -19.971
Base-Backbone interact. energy: -0.004
local terms energy: -33.752015
where:
bonds (distance) C4'-P energy: -10.859
bonds (distance) P-C4' energy: -11.190
flat angles C4'-P-C4' energy: -6.974
flat angles P-C4'-P energy: -4.667
tors. eta vs tors. theta energy: -0.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -166.402159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.402159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.402159 (E_RNA)
where:
Base-Base interactions energy: -109.881
where: short stacking energy: -45.260
Base-Backbone interact. energy: -0.001
local terms energy: -56.520265
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -11.128
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: 10
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -149.128824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.128824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.128824 (E_RNA)
where:
Base-Base interactions energy: -93.450
where: short stacking energy: -36.821
Base-Backbone interact. energy: 0.676
local terms energy: -56.354299
where:
bonds (distance) C4'-P energy: -10.851
bonds (distance) P-C4' energy: -12.706
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -5.937
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: 3, replica: 4
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -138.116720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.116720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.116720 (E_RNA)
where:
Base-Base interactions energy: -98.904
where: short stacking energy: -32.720
Base-Backbone interact. energy: 0.367
local terms energy: -39.579823
where:
bonds (distance) C4'-P energy: -6.836
bonds (distance) P-C4' energy: -8.123
flat angles C4'-P-C4' energy: -10.132
flat angles P-C4'-P energy: -5.844
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: 4, replica: 1
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -134.748305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.748305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.748305 (E_RNA)
where:
Base-Base interactions energy: -90.937
where: short stacking energy: -41.027
Base-Backbone interact. energy: -0.068
local terms energy: -43.742403
where:
bonds (distance) C4'-P energy: -7.349
bonds (distance) P-C4' energy: -8.184
flat angles C4'-P-C4' energy: -8.405
flat angles P-C4'-P energy: -5.071
tors. eta vs tors. theta energy: -14.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -88.746105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.746105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.746105 (E_RNA)
where:
Base-Base interactions energy: -45.179
where: short stacking energy: -25.370
Base-Backbone interact. energy: -0.026
local terms energy: -43.540506
where:
bonds (distance) C4'-P energy: -8.992
bonds (distance) P-C4' energy: -11.586
flat angles C4'-P-C4' energy: -9.305
flat angles P-C4'-P energy: -8.046
tors. eta vs tors. theta energy: -5.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -133.048601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.048601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.048601 (E_RNA)
where:
Base-Base interactions energy: -83.729
where: short stacking energy: -37.474
Base-Backbone interact. energy: -0.090
local terms energy: -49.230434
where:
bonds (distance) C4'-P energy: -11.054
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -12.497
flat angles P-C4'-P energy: -5.237
tors. eta vs tors. theta energy: -7.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -75.430890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.430890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.430890 (E_RNA)
where:
Base-Base interactions energy: -52.205
where: short stacking energy: -22.709
Base-Backbone interact. energy: -0.185
local terms energy: -23.041237
where:
bonds (distance) C4'-P energy: -9.994
bonds (distance) P-C4' energy: -9.283
flat angles C4'-P-C4' energy: -2.846
flat angles P-C4'-P energy: -1.265
tors. eta vs tors. theta energy: 0.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -82.006758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.006758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.006758 (E_RNA)
where:
Base-Base interactions energy: -45.676
where: short stacking energy: -15.814
Base-Backbone interact. energy: 0.303
local terms energy: -36.633391
where:
bonds (distance) C4'-P energy: -9.882
bonds (distance) P-C4' energy: -9.980
flat angles C4'-P-C4' energy: -11.177
flat angles P-C4'-P energy: -2.157
tors. eta vs tors. theta energy: -3.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -61.507308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.507308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.507308 (E_RNA)
where:
Base-Base interactions energy: -27.726
where: short stacking energy: -21.028
Base-Backbone interact. energy: -0.011
local terms energy: -33.770493
where:
bonds (distance) C4'-P energy: -8.760
bonds (distance) P-C4' energy: -7.717
flat angles C4'-P-C4' energy: -7.110
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -2.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -61.076668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.076668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.076668 (E_RNA)
where:
Base-Base interactions energy: -18.767
where: short stacking energy: -18.767
Base-Backbone interact. energy: -0.016
local terms energy: -42.293973
where:
bonds (distance) C4'-P energy: -8.266
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -10.154
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: -1.688
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: 8
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -158.438110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.438110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.438110 (E_RNA)
where:
Base-Base interactions energy: -107.966
where: short stacking energy: -36.388
Base-Backbone interact. energy: -0.076
local terms energy: -50.396059
where:
bonds (distance) C4'-P energy: -10.867
bonds (distance) P-C4' energy: -10.545
flat angles C4'-P-C4' energy: -11.177
flat angles P-C4'-P energy: -6.780
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: 2, replica: 4
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -149.486902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.486902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.486902 (E_RNA)
where:
Base-Base interactions energy: -95.709
where: short stacking energy: -37.869
Base-Backbone interact. energy: -0.136
local terms energy: -53.642034
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -12.255
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -3.627
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: 3, replica: 10
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -145.323511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.323511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.323511 (E_RNA)
where:
Base-Base interactions energy: -89.096
where: short stacking energy: -34.964
Base-Backbone interact. energy: -0.017
local terms energy: -56.210333
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -4.471
tors. eta vs tors. theta energy: -12.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -128.619292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.619292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.619292 (E_RNA)
where:
Base-Base interactions energy: -72.080
where: short stacking energy: -31.555
Base-Backbone interact. energy: -0.133
local terms energy: -56.406968
where:
bonds (distance) C4'-P energy: -10.686
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -11.230
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -11.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -98.026338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.026338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.026338 (E_RNA)
where:
Base-Base interactions energy: -53.545
where: short stacking energy: -14.300
Base-Backbone interact. energy: -0.028
local terms energy: -44.453042
where:
bonds (distance) C4'-P energy: -11.141
bonds (distance) P-C4' energy: -11.077
flat angles C4'-P-C4' energy: -11.372
flat angles P-C4'-P energy: -3.950
tors. eta vs tors. theta energy: -6.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -131.207644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.207644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.207644 (E_RNA)
where:
Base-Base interactions energy: -84.787
where: short stacking energy: -32.185
Base-Backbone interact. energy: -0.008
local terms energy: -46.412095
where:
bonds (distance) C4'-P energy: -10.732
bonds (distance) P-C4' energy: -8.720
flat angles C4'-P-C4' energy: -8.962
flat angles P-C4'-P energy: -5.375
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: 9
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -63.560567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.560567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.560567 (E_RNA)
where:
Base-Base interactions energy: -21.853
where: short stacking energy: -16.238
Base-Backbone interact. energy: -0.202
local terms energy: -41.504983
where:
bonds (distance) C4'-P energy: -10.789
bonds (distance) P-C4' energy: -10.096
flat angles C4'-P-C4' energy: -9.328
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -2.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -65.990469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.990469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.990469 (E_RNA)
where:
Base-Base interactions energy: -31.548
where: short stacking energy: -17.641
Base-Backbone interact. energy: -0.165
local terms energy: -34.278129
where:
bonds (distance) C4'-P energy: -8.404
bonds (distance) P-C4' energy: -10.579
flat angles C4'-P-C4' energy: -11.881
flat angles P-C4'-P energy: 0.504
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: 9, replica: 7
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -57.583105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.583105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.583105 (E_RNA)
where:
Base-Base interactions energy: -20.216
where: short stacking energy: -10.937
Base-Backbone interact. energy: -0.197
local terms energy: -37.170492
where:
bonds (distance) C4'-P energy: -8.174
bonds (distance) P-C4' energy: -10.168
flat angles C4'-P-C4' energy: -10.959
flat angles P-C4'-P energy: -6.384
tors. eta vs tors. theta energy: -1.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -50.962704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.962704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.962704 (E_RNA)
where:
Base-Base interactions energy: -14.682
where: short stacking energy: -9.630
Base-Backbone interact. energy: -0.264
local terms energy: -36.016776
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -10.363
flat angles C4'-P-C4' energy: -11.290
flat angles P-C4'-P energy: -1.051
tors. eta vs tors. theta energy: -0.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -151.391070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.391070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.391070 (E_RNA)
where:
Base-Base interactions energy: -97.840
where: short stacking energy: -38.592
Base-Backbone interact. energy: -0.125
local terms energy: -53.426111
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -9.980
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -5.874
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: 2, replica: 4
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -145.393024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.393024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.393024 (E_RNA)
where:
Base-Base interactions energy: -96.794
where: short stacking energy: -34.181
Base-Backbone interact. energy: -0.078
local terms energy: -48.520315
where:
bonds (distance) C4'-P energy: -8.541
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -1.798
tors. eta vs tors. theta energy: -10.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -154.291500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.291500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.291500 (E_RNA)
where:
Base-Base interactions energy: -106.691
where: short stacking energy: -43.228
Base-Backbone interact. energy: -0.003
local terms energy: -47.597119
where:
bonds (distance) C4'-P energy: -10.644
bonds (distance) P-C4' energy: -7.719
flat angles C4'-P-C4' energy: -9.765
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -10.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -131.767234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.767234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.767234 (E_RNA)
where:
Base-Base interactions energy: -91.028
where: short stacking energy: -34.356
Base-Backbone interact. energy: -0.028
local terms energy: -40.711322
where:
bonds (distance) C4'-P energy: -8.159
bonds (distance) P-C4' energy: -9.720
flat angles C4'-P-C4' energy: -11.601
flat angles P-C4'-P energy: -6.667
tors. eta vs tors. theta energy: -4.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -125.586778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.586778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.586778 (E_RNA)
where:
Base-Base interactions energy: -76.065
where: short stacking energy: -28.980
Base-Backbone interact. energy: -0.071
local terms energy: -49.451402
where:
bonds (distance) C4'-P energy: -10.701
bonds (distance) P-C4' energy: -12.071
flat angles C4'-P-C4' energy: -9.031
flat angles P-C4'-P energy: -7.043
tors. eta vs tors. theta energy: -10.605
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: 6, replica: 5
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -94.854115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.854115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.854115 (E_RNA)
where:
Base-Base interactions energy: -47.146
where: short stacking energy: -30.300
Base-Backbone interact. energy: -1.153
local terms energy: -46.554314
where:
bonds (distance) C4'-P energy: -11.435
bonds (distance) P-C4' energy: -7.761
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -3.289
tors. eta vs tors. theta energy: -10.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -66.236386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.236386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.236386 (E_RNA)
where:
Base-Base interactions energy: -29.247
where: short stacking energy: -18.319
Base-Backbone interact. energy: 3.168
local terms energy: -40.157167
where:
bonds (distance) C4'-P energy: -8.119
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -9.084
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -2.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -69.126437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.126437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.126437 (E_RNA)
where:
Base-Base interactions energy: -31.581
where: short stacking energy: -15.500
Base-Backbone interact. energy: -0.630
local terms energy: -36.915844
where:
bonds (distance) C4'-P energy: -7.358
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -9.825
flat angles P-C4'-P energy: -6.129
tors. eta vs tors. theta energy: -2.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -61.912007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.912007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.912007 (E_RNA)
where:
Base-Base interactions energy: -34.176
where: short stacking energy: -24.001
Base-Backbone interact. energy: -0.386
local terms energy: -27.349910
where:
bonds (distance) C4'-P energy: -8.509
bonds (distance) P-C4' energy: -8.651
flat angles C4'-P-C4' energy: -6.027
flat angles P-C4'-P energy: -4.728
tors. eta vs tors. theta energy: 0.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -62.884508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.884508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.884508 (E_RNA)
where:
Base-Base interactions energy: -23.202
where: short stacking energy: -16.187
Base-Backbone interact. energy: -0.407
local terms energy: -39.276283
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -6.231
flat angles P-C4'-P energy: -6.472
tors. eta vs tors. theta energy: 0.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -147.319105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.319105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.319105 (E_RNA)
where:
Base-Base interactions energy: -88.464
where: short stacking energy: -41.964
Base-Backbone interact. energy: -0.001
local terms energy: -58.853596
where:
bonds (distance) C4'-P energy: -12.751
bonds (distance) P-C4' energy: -10.579
flat angles C4'-P-C4' energy: -12.015
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -13.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -158.988143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.988143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.988143 (E_RNA)
where:
Base-Base interactions energy: -102.214
where: short stacking energy: -33.481
Base-Backbone interact. energy: -0.577
local terms energy: -56.197306
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -14.239
flat angles C4'-P-C4' energy: -10.459
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -11.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -135.378671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.378671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.378671 (E_RNA)
where:
Base-Base interactions energy: -86.883
where: short stacking energy: -28.677
Base-Backbone interact. energy: -0.066
local terms energy: -48.429047
where:
bonds (distance) C4'-P energy: -10.829
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -4.520
tors. eta vs tors. theta energy: -6.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -154.699465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.699465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.699465 (E_RNA)
where:
Base-Base interactions energy: -110.177
where: short stacking energy: -42.087
Base-Backbone interact. energy: -0.878
local terms energy: -43.644814
where:
bonds (distance) C4'-P energy: -8.822
bonds (distance) P-C4' energy: -7.592
flat angles C4'-P-C4' energy: -10.785
flat angles P-C4'-P energy: -6.859
tors. eta vs tors. theta energy: -9.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -130.284801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.284801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.284801 (E_RNA)
where:
Base-Base interactions energy: -81.146
where: short stacking energy: -33.009
Base-Backbone interact. energy: -0.342
local terms energy: -48.796859
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -10.648
flat angles C4'-P-C4' energy: -8.159
flat angles P-C4'-P energy: -5.164
tors. eta vs tors. theta energy: -12.672
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: 6, replica: 5
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -114.581309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.581309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.581309 (E_RNA)
where:
Base-Base interactions energy: -72.450
where: short stacking energy: -24.300
Base-Backbone interact. energy: -0.107
local terms energy: -42.024696
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -3.665
flat angles P-C4'-P energy: -2.235
tors. eta vs tors. theta energy: -11.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -74.871451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.871451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.871451 (E_RNA)
where:
Base-Base interactions energy: -50.256
where: short stacking energy: -11.574
Base-Backbone interact. energy: -0.172
local terms energy: -24.443122
where:
bonds (distance) C4'-P energy: -7.920
bonds (distance) P-C4' energy: -10.135
flat angles C4'-P-C4' energy: -6.673
flat angles P-C4'-P energy: -0.637
tors. eta vs tors. theta energy: 0.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -65.544128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.544128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.544128 (E_RNA)
where:
Base-Base interactions energy: -23.956
where: short stacking energy: -23.956
Base-Backbone interact. energy: -0.019
local terms energy: -41.569311
where:
bonds (distance) C4'-P energy: -12.035
bonds (distance) P-C4' energy: -12.522
flat angles C4'-P-C4' energy: -7.161
flat angles P-C4'-P energy: -5.095
tors. eta vs tors. theta energy: -4.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -60.622853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.622853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.622853 (E_RNA)
where:
Base-Base interactions energy: -19.099
where: short stacking energy: -19.099
Base-Backbone interact. energy: -0.176
local terms energy: -41.347430
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -8.465
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -0.318
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: 7
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -58.464070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.464070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.464070 (E_RNA)
where:
Base-Base interactions energy: -22.800
where: short stacking energy: -16.274
Base-Backbone interact. energy: -0.240
local terms energy: -35.424663
where:
bonds (distance) C4'-P energy: -10.139
bonds (distance) P-C4' energy: -10.424
flat angles C4'-P-C4' energy: -11.126
flat angles P-C4'-P energy: -5.633
tors. eta vs tors. theta energy: 1.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -156.535880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.535880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.535880 (E_RNA)
where:
Base-Base interactions energy: -96.831
where: short stacking energy: -48.520
Base-Backbone interact. energy: -0.007
local terms energy: -59.698341
where:
bonds (distance) C4'-P energy: -11.654
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -11.684
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -15.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -152.301294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.301294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.301294 (E_RNA)
where:
Base-Base interactions energy: -97.912
where: short stacking energy: -39.636
Base-Backbone interact. energy: 2.707
local terms energy: -57.096288
where:
bonds (distance) C4'-P energy: -12.263
bonds (distance) P-C4' energy: -12.176
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -6.591
tors. eta vs tors. theta energy: -12.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -141.066783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.066783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.066783 (E_RNA)
where:
Base-Base interactions energy: -87.413
where: short stacking energy: -45.601
Base-Backbone interact. energy: -0.002
local terms energy: -53.651754
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -9.213
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -12.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -146.936176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.936176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.936176 (E_RNA)
where:
Base-Base interactions energy: -93.861
where: short stacking energy: -41.880
Base-Backbone interact. energy: 0.864
local terms energy: -53.939445
where:
bonds (distance) C4'-P energy: -9.360
bonds (distance) P-C4' energy: -10.402
flat angles C4'-P-C4' energy: -11.226
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -11.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -144.176387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.176387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.176387 (E_RNA)
where:
Base-Base interactions energy: -100.644
where: short stacking energy: -35.441
Base-Backbone interact. energy: -0.025
local terms energy: -43.507508
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -11.196
flat angles C4'-P-C4' energy: -7.552
flat angles P-C4'-P energy: -5.275
tors. eta vs tors. theta energy: -8.282
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: 5
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -75.089869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.089869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.089869 (E_RNA)
where:
Base-Base interactions energy: -27.155
where: short stacking energy: -19.087
Base-Backbone interact. energy: -0.318
local terms energy: -47.616675
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -11.606
flat angles C4'-P-C4' energy: -9.272
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -4.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -68.682238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.682238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.682238 (E_RNA)
where:
Base-Base interactions energy: -23.433
where: short stacking energy: -19.978
Base-Backbone interact. energy: -0.019
local terms energy: -45.229459
where:
bonds (distance) C4'-P energy: -9.620
bonds (distance) P-C4' energy: -10.966
flat angles C4'-P-C4' energy: -11.157
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -5.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -67.935551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.935551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.935551 (E_RNA)
where:
Base-Base interactions energy: -32.861
where: short stacking energy: -24.659
Base-Backbone interact. energy: -0.143
local terms energy: -34.931060
where:
bonds (distance) C4'-P energy: -8.405
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -3.386
flat angles P-C4'-P energy: -6.184
tors. eta vs tors. theta energy: -4.502
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: 7
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -60.472106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.472106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.472106 (E_RNA)
where:
Base-Base interactions energy: -20.881
where: short stacking energy: -8.139
Base-Backbone interact. energy: -0.148
local terms energy: -39.442744
where:
bonds (distance) C4'-P energy: -9.428
bonds (distance) P-C4' energy: -10.765
flat angles C4'-P-C4' energy: -7.584
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -2.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -61.963713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.963713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.963713 (E_RNA)
where:
Base-Base interactions energy: -23.168
where: short stacking energy: -18.145
Base-Backbone interact. energy: -0.055
local terms energy: -38.740732
where:
bonds (distance) C4'-P energy: -13.430
bonds (distance) P-C4' energy: -11.339
flat angles C4'-P-C4' energy: -5.997
flat angles P-C4'-P energy: -2.878
tors. eta vs tors. theta energy: -5.097
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: 99
Temperature: 0.900000
Total energy: -146.884805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.884805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.884805 (E_RNA)
where:
Base-Base interactions energy: -95.267
where: short stacking energy: -41.991
Base-Backbone interact. energy: -0.016
local terms energy: -51.601840
where:
bonds (distance) C4'-P energy: -11.282
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -9.039
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -10.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -149.601414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.601414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.601414 (E_RNA)
where:
Base-Base interactions energy: -98.172
where: short stacking energy: -47.176
Base-Backbone interact. energy: -0.013
local terms energy: -51.416594
where:
bonds (distance) C4'-P energy: -12.067
bonds (distance) P-C4' energy: -8.842
flat angles C4'-P-C4' energy: -8.304
flat angles P-C4'-P energy: -9.549
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: 3, replica: 6
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -139.016394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.016394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.016394 (E_RNA)
where:
Base-Base interactions energy: -83.547
where: short stacking energy: -37.543
Base-Backbone interact. energy: -0.100
local terms energy: -55.369190
where:
bonds (distance) C4'-P energy: -12.809
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -9.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -137.615031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.615031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.615031 (E_RNA)
where:
Base-Base interactions energy: -91.741
where: short stacking energy: -33.069
Base-Backbone interact. energy: -0.275
local terms energy: -45.598694
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -9.307
flat angles P-C4'-P energy: -4.846
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: 5, replica: 4
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -130.778641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.778641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.778641 (E_RNA)
where:
Base-Base interactions energy: -86.776
where: short stacking energy: -33.853
Base-Backbone interact. energy: -0.108
local terms energy: -43.894592
where:
bonds (distance) C4'-P energy: -7.696
bonds (distance) P-C4' energy: -10.078
flat angles C4'-P-C4' energy: -7.650
flat angles P-C4'-P energy: -6.697
tors. eta vs tors. theta energy: -11.774
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: 6, replica: 3
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -65.569716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.569716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.569716 (E_RNA)
where:
Base-Base interactions energy: -19.780
where: short stacking energy: -17.531
Base-Backbone interact. energy: -0.111
local terms energy: -45.678103
where:
bonds (distance) C4'-P energy: -12.063
bonds (distance) P-C4' energy: -11.337
flat angles C4'-P-C4' energy: -10.292
flat angles P-C4'-P energy: -7.162
tors. eta vs tors. theta energy: -4.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -66.565007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.565007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.565007 (E_RNA)
where:
Base-Base interactions energy: -25.735
where: short stacking energy: -22.280
Base-Backbone interact. energy: -0.177
local terms energy: -40.652500
where:
bonds (distance) C4'-P energy: -9.559
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: -8.113
flat angles P-C4'-P energy: -6.009
tors. eta vs tors. theta energy: -5.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -64.686031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.686031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.686031 (E_RNA)
where:
Base-Base interactions energy: -22.856
where: short stacking energy: -18.873
Base-Backbone interact. energy: -0.120
local terms energy: -41.710100
where:
bonds (distance) C4'-P energy: -10.784
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -9.263
flat angles P-C4'-P energy: -5.166
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: 9
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -58.774204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.774204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.774204 (E_RNA)
where:
Base-Base interactions energy: -22.482
where: short stacking energy: -16.064
Base-Backbone interact. energy: -0.254
local terms energy: -36.038783
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -9.687
flat angles C4'-P-C4' energy: -10.937
flat angles P-C4'-P energy: -4.324
tors. eta vs tors. theta energy: 0.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -52.247334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.247334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.247334 (E_RNA)
where:
Base-Base interactions energy: -17.161
where: short stacking energy: -12.642
Base-Backbone interact. energy: -0.183
local terms energy: -34.903518
where:
bonds (distance) C4'-P energy: -3.332
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -9.069
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -0.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -160.117394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.117394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.117394 (E_RNA)
where:
Base-Base interactions energy: -103.032
where: short stacking energy: -41.647
Base-Backbone interact. energy: -0.134
local terms energy: -56.951351
where:
bonds (distance) C4'-P energy: -11.555
bonds (distance) P-C4' energy: -11.060
flat angles C4'-P-C4' energy: -11.114
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -12.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -154.864356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.864356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.864356 (E_RNA)
where:
Base-Base interactions energy: -101.753
where: short stacking energy: -43.177
Base-Backbone interact. energy: -0.107
local terms energy: -53.004464
where:
bonds (distance) C4'-P energy: -11.210
bonds (distance) P-C4' energy: -10.203
flat angles C4'-P-C4' energy: -9.712
flat angles P-C4'-P energy: -4.735
tors. eta vs tors. theta energy: -17.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -147.458906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.458906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.458906 (E_RNA)
where:
Base-Base interactions energy: -93.339
where: short stacking energy: -38.004
Base-Backbone interact. energy: -0.099
local terms energy: -54.020176
where:
bonds (distance) C4'-P energy: -11.356
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -9.130
flat angles P-C4'-P energy: -6.503
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: 4, replica: 1
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -140.022806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.022806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.022806 (E_RNA)
where:
Base-Base interactions energy: -85.009
where: short stacking energy: -32.817
Base-Backbone interact. energy: -0.005
local terms energy: -55.009465
where:
bonds (distance) C4'-P energy: -11.054
bonds (distance) P-C4' energy: -9.759
flat angles C4'-P-C4' energy: -10.944
flat angles P-C4'-P energy: -10.494
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: 4
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -137.463968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.463968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.463968 (E_RNA)
where:
Base-Base interactions energy: -83.940
where: short stacking energy: -37.512
Base-Backbone interact. energy: -0.027
local terms energy: -53.496433
where:
bonds (distance) C4'-P energy: -11.017
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -7.036
tors. eta vs tors. theta energy: -10.684
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: 3
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -69.325124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.325124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.325124 (E_RNA)
where:
Base-Base interactions energy: -23.143
where: short stacking energy: -23.143
Base-Backbone interact. energy: -0.026
local terms energy: -46.155998
where:
bonds (distance) C4'-P energy: -12.809
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -5.093
flat angles P-C4'-P energy: -6.814
tors. eta vs tors. theta energy: -7.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -70.783183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.783183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.783183 (E_RNA)
where:
Base-Base interactions energy: -30.256
where: short stacking energy: -28.406
Base-Backbone interact. energy: -0.088
local terms energy: -40.439271
where:
bonds (distance) C4'-P energy: -7.890
bonds (distance) P-C4' energy: -11.995
flat angles C4'-P-C4' energy: -8.400
flat angles P-C4'-P energy: -7.136
tors. eta vs tors. theta energy: -5.019
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: 5
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -78.085323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.085323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.085323 (E_RNA)
where:
Base-Base interactions energy: -32.645
where: short stacking energy: -17.532
Base-Backbone interact. energy: -0.573
local terms energy: -44.866904
where:
bonds (distance) C4'-P energy: -10.959
bonds (distance) P-C4' energy: -11.282
flat angles C4'-P-C4' energy: -9.073
flat angles P-C4'-P energy: -7.764
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: 2
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -58.710605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.710605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.710605 (E_RNA)
where:
Base-Base interactions energy: -20.509
where: short stacking energy: -20.509
Base-Backbone interact. energy: -0.104
local terms energy: -38.097190
where:
bonds (distance) C4'-P energy: -6.641
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -0.259
tors. eta vs tors. theta energy: -5.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -62.532764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.532764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.532764 (E_RNA)
where:
Base-Base interactions energy: -29.509
where: short stacking energy: -16.649
Base-Backbone interact. energy: 0.173
local terms energy: -33.196213
where:
bonds (distance) C4'-P energy: -9.223
bonds (distance) P-C4' energy: -7.859
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -5.442
tors. eta vs tors. theta energy: 1.492
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: 1, replica: 8
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -154.976988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.976988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.976988 (E_RNA)
where:
Base-Base interactions energy: -95.293
where: short stacking energy: -39.140
Base-Backbone interact. energy: -0.013
local terms energy: -59.670999
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -8.103
tors. eta vs tors. theta energy: -13.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -157.607364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.607364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.607364 (E_RNA)
where:
Base-Base interactions energy: -103.138
where: short stacking energy: -37.933
Base-Backbone interact. energy: -0.067
local terms energy: -54.402197
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -0.709
tors. eta vs tors. theta energy: -13.376
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: 10
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -148.548504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.548504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.548504 (E_RNA)
where:
Base-Base interactions energy: -95.066
where: short stacking energy: -30.432
Base-Backbone interact. energy: 0.610
local terms energy: -54.092877
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -11.841
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: -7.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -137.238003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.238003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.238003 (E_RNA)
where:
Base-Base interactions energy: -85.955
where: short stacking energy: -37.304
Base-Backbone interact. energy: -0.027
local terms energy: -51.255844
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -12.102
flat angles C4'-P-C4' energy: -11.457
flat angles P-C4'-P energy: -6.874
tors. eta vs tors. theta energy: -8.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -133.550729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.550729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.550729 (E_RNA)
where:
Base-Base interactions energy: -85.115
where: short stacking energy: -30.373
Base-Backbone interact. energy: -0.095
local terms energy: -48.340515
where:
bonds (distance) C4'-P energy: -10.065
bonds (distance) P-C4' energy: -11.492
flat angles C4'-P-C4' energy: -6.155
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -11.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -77.166934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.166934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.166934 (E_RNA)
where:
Base-Base interactions energy: -35.372
where: short stacking energy: -26.570
Base-Backbone interact. energy: -0.130
local terms energy: -41.664595
where:
bonds (distance) C4'-P energy: -8.998
bonds (distance) P-C4' energy: -12.345
flat angles C4'-P-C4' energy: -8.211
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: -3.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -67.559471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.559471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.559471 (E_RNA)
where:
Base-Base interactions energy: -21.771
where: short stacking energy: -21.771
Base-Backbone interact. energy: -0.002
local terms energy: -45.787151
where:
bonds (distance) C4'-P energy: -9.440
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -9.411
flat angles P-C4'-P energy: -6.296
tors. eta vs tors. theta energy: -7.182
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: 5
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -66.239137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.239137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.239137 (E_RNA)
where:
Base-Base interactions energy: -39.798
where: short stacking energy: -11.839
Base-Backbone interact. energy: -0.138
local terms energy: -26.303743
where:
bonds (distance) C4'-P energy: -5.431
bonds (distance) P-C4' energy: -9.632
flat angles C4'-P-C4' energy: -6.898
flat angles P-C4'-P energy: -7.412
tors. eta vs tors. theta energy: 3.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -57.927659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.927659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.927659 (E_RNA)
where:
Base-Base interactions energy: -18.068
where: short stacking energy: -10.477
Base-Backbone interact. energy: -0.699
local terms energy: -39.161455
where:
bonds (distance) C4'-P energy: -11.305
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -8.021
flat angles P-C4'-P energy: -4.549
tors. eta vs tors. theta energy: -2.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -60.588982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.588982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.588982 (E_RNA)
where:
Base-Base interactions energy: -35.112
where: short stacking energy: -11.501
Base-Backbone interact. energy: -0.543
local terms energy: -24.934007
where:
bonds (distance) C4'-P energy: -6.753
bonds (distance) P-C4' energy: -1.850
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -4.149
tors. eta vs tors. theta energy: 0.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -150.967440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.967440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.967440 (E_RNA)
where:
Base-Base interactions energy: -89.595
where: short stacking energy: -38.638
Base-Backbone interact. energy: -0.000
local terms energy: -61.371684
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -12.317
flat angles P-C4'-P energy: -8.515
tors. eta vs tors. theta energy: -14.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -147.142114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.142114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.142114 (E_RNA)
where:
Base-Base interactions energy: -100.180
where: short stacking energy: -33.782
Base-Backbone interact. energy: -0.097
local terms energy: -46.865245
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -8.057
flat angles C4'-P-C4' energy: -10.863
flat angles P-C4'-P energy: -6.338
tors. eta vs tors. theta energy: -9.977
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: 3, replica: 10
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -140.819938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.819938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.819938 (E_RNA)
where:
Base-Base interactions energy: -89.774
where: short stacking energy: -42.415
Base-Backbone interact. energy: 0.245
local terms energy: -51.290858
where:
bonds (distance) C4'-P energy: -10.169
bonds (distance) P-C4' energy: -11.930
flat angles C4'-P-C4' energy: -11.334
flat angles P-C4'-P energy: -5.365
tors. eta vs tors. theta energy: -12.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -138.633582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.633582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.633582 (E_RNA)
where:
Base-Base interactions energy: -82.617
where: short stacking energy: -36.933
Base-Backbone interact. energy: -0.020
local terms energy: -55.996782
where:
bonds (distance) C4'-P energy: -11.318
bonds (distance) P-C4' energy: -9.042
flat angles C4'-P-C4' energy: -11.022
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -14.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -135.482925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.482925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.482925 (E_RNA)
where:
Base-Base interactions energy: -85.653
where: short stacking energy: -32.958
Base-Backbone interact. energy: -0.102
local terms energy: -49.728431
where:
bonds (distance) C4'-P energy: -9.431
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -10.376
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -7.941
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: 3
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -70.025000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.025000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.025000 (E_RNA)
where:
Base-Base interactions energy: -27.456
where: short stacking energy: -27.007
Base-Backbone interact. energy: -0.448
local terms energy: -42.120780
where:
bonds (distance) C4'-P energy: -10.793
bonds (distance) P-C4' energy: -10.982
flat angles C4'-P-C4' energy: -10.292
flat angles P-C4'-P energy: -7.027
tors. eta vs tors. theta energy: -3.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -81.879093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.879093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.879093 (E_RNA)
where:
Base-Base interactions energy: -40.190
where: short stacking energy: -15.041
Base-Backbone interact. energy: -0.130
local terms energy: -41.559238
where:
bonds (distance) C4'-P energy: -11.674
bonds (distance) P-C4' energy: -9.285
flat angles C4'-P-C4' energy: -9.920
flat angles P-C4'-P energy: -6.954
tors. eta vs tors. theta energy: -3.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -72.278969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.278969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.278969 (E_RNA)
where:
Base-Base interactions energy: -30.428
where: short stacking energy: -26.024
Base-Backbone interact. energy: -0.110
local terms energy: -41.740960
where:
bonds (distance) C4'-P energy: -7.257
bonds (distance) P-C4' energy: -11.519
flat angles C4'-P-C4' energy: -7.769
flat angles P-C4'-P energy: -5.337
tors. eta vs tors. theta energy: -9.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -59.080530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.080530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.080530 (E_RNA)
where:
Base-Base interactions energy: -20.419
where: short stacking energy: -9.838
Base-Backbone interact. energy: -0.290
local terms energy: -38.370864
where:
bonds (distance) C4'-P energy: -9.170
bonds (distance) P-C4' energy: -10.623
flat angles C4'-P-C4' energy: -7.199
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -2.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -50.214074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.214074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.214074 (E_RNA)
where:
Base-Base interactions energy: -18.951
where: short stacking energy: -11.193
Base-Backbone interact. energy: 0.096
local terms energy: -31.358884
where:
bonds (distance) C4'-P energy: -11.674
bonds (distance) P-C4' energy: -9.690
flat angles C4'-P-C4' energy: -4.755
flat angles P-C4'-P energy: -5.596
tors. eta vs tors. theta energy: 0.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -158.417847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.417847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.417847 (E_RNA)
where:
Base-Base interactions energy: -104.080
where: short stacking energy: -43.491
Base-Backbone interact. energy: -0.106
local terms energy: -54.232077
where:
bonds (distance) C4'-P energy: -10.411
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -5.879
tors. eta vs tors. theta energy: -13.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -154.188476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.188476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.188476 (E_RNA)
where:
Base-Base interactions energy: -98.524
where: short stacking energy: -41.554
Base-Backbone interact. energy: -0.284
local terms energy: -55.379963
where:
bonds (distance) C4'-P energy: -10.400
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -9.727
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -12.130
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: 10
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -148.965097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.965097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.965097 (E_RNA)
where:
Base-Base interactions energy: -97.136
where: short stacking energy: -33.617
Base-Backbone interact. energy: -0.108
local terms energy: -51.721606
where:
bonds (distance) C4'-P energy: -9.357
bonds (distance) P-C4' energy: -11.609
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -9.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -137.504497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.504497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.504497 (E_RNA)
where:
Base-Base interactions energy: -88.861
where: short stacking energy: -30.717
Base-Backbone interact. energy: -0.187
local terms energy: -48.456652
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -9.493
flat angles C4'-P-C4' energy: -11.741
flat angles P-C4'-P energy: -6.777
tors. eta vs tors. theta energy: -7.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -130.990790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.990790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.990790 (E_RNA)
where:
Base-Base interactions energy: -92.386
where: short stacking energy: -30.195
Base-Backbone interact. energy: -0.088
local terms energy: -38.516318
where:
bonds (distance) C4'-P energy: -9.638
bonds (distance) P-C4' energy: -11.373
flat angles C4'-P-C4' energy: -8.922
flat angles P-C4'-P energy: -4.510
tors. eta vs tors. theta energy: -4.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -105.141503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.141503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.141503 (E_RNA)
where:
Base-Base interactions energy: -65.204
where: short stacking energy: -29.291
Base-Backbone interact. energy: -0.083
local terms energy: -39.854119
where:
bonds (distance) C4'-P energy: -10.011
bonds (distance) P-C4' energy: -10.342
flat angles C4'-P-C4' energy: -8.268
flat angles P-C4'-P energy: -4.545
tors. eta vs tors. theta energy: -6.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -62.454542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.454542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.454542 (E_RNA)
where:
Base-Base interactions energy: -17.856
where: short stacking energy: -17.856
Base-Backbone interact. energy: -0.104
local terms energy: -44.494553
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -11.380
flat angles C4'-P-C4' energy: -7.070
flat angles P-C4'-P energy: -8.169
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: 8, replica: 9
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -65.372774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.372774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.372774 (E_RNA)
where:
Base-Base interactions energy: -22.016
where: short stacking energy: -22.016
Base-Backbone interact. energy: -0.081
local terms energy: -43.275935
where:
bonds (distance) C4'-P energy: -10.293
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -8.560
flat angles P-C4'-P energy: -6.567
tors. eta vs tors. theta energy: -5.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -66.881002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.881002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.881002 (E_RNA)
where:
Base-Base interactions energy: -33.843
where: short stacking energy: -12.504
Base-Backbone interact. energy: -0.128
local terms energy: -32.910489
where:
bonds (distance) C4'-P energy: -8.313
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -7.776
flat angles P-C4'-P energy: -6.807
tors. eta vs tors. theta energy: 2.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -52.674857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.674857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.674857 (E_RNA)
where:
Base-Base interactions energy: -14.586
where: short stacking energy: -11.653
Base-Backbone interact. energy: -0.027
local terms energy: -38.061903
where:
bonds (distance) C4'-P energy: -9.601
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -6.958
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -0.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -157.469462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.469462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.469462 (E_RNA)
where:
Base-Base interactions energy: -105.021
where: short stacking energy: -45.049
Base-Backbone interact. energy: -0.005
local terms energy: -52.442863
where:
bonds (distance) C4'-P energy: -10.744
bonds (distance) P-C4' energy: -5.452
flat angles C4'-P-C4' energy: -11.988
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -15.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -153.290871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.290871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.290871 (E_RNA)
where:
Base-Base interactions energy: -101.884
where: short stacking energy: -36.082
Base-Backbone interact. energy: -0.016
local terms energy: -51.391221
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -10.384
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -9.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -154.654085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.654085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.654085 (E_RNA)
where:
Base-Base interactions energy: -101.174
where: short stacking energy: -40.963
Base-Backbone interact. energy: -0.064
local terms energy: -53.415878
where:
bonds (distance) C4'-P energy: -10.560
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -9.488
flat angles P-C4'-P energy: -6.846
tors. eta vs tors. theta energy: -13.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -140.691953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.691953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.691953 (E_RNA)
where:
Base-Base interactions energy: -93.732
where: short stacking energy: -32.936
Base-Backbone interact. energy: -0.293
local terms energy: -46.666593
where:
bonds (distance) C4'-P energy: -8.524
bonds (distance) P-C4' energy: -9.340
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -5.825
tors. eta vs tors. theta energy: -10.668
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: 5
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -124.472577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.472577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.472577 (E_RNA)
where:
Base-Base interactions energy: -76.355
where: short stacking energy: -26.348
Base-Backbone interact. energy: -1.063
local terms energy: -47.054969
where:
bonds (distance) C4'-P energy: -8.954
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -12.215
flat angles P-C4'-P energy: -7.551
tors. eta vs tors. theta energy: -5.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -120.206684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.206684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.206684 (E_RNA)
where:
Base-Base interactions energy: -73.639
where: short stacking energy: -30.248
Base-Backbone interact. energy: -0.100
local terms energy: -46.468323
where:
bonds (distance) C4'-P energy: -12.590
bonds (distance) P-C4' energy: -10.433
flat angles C4'-P-C4' energy: -8.962
flat angles P-C4'-P energy: -7.282
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: 7, replica: 9
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -62.758727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.758727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.758727 (E_RNA)
where:
Base-Base interactions energy: -23.294
where: short stacking energy: -23.294
Base-Backbone interact. energy: 0.652
local terms energy: -40.116271
where:
bonds (distance) C4'-P energy: -8.470
bonds (distance) P-C4' energy: -11.586
flat angles C4'-P-C4' energy: -10.304
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -1.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -75.034199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.034199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.034199 (E_RNA)
where:
Base-Base interactions energy: -34.909
where: short stacking energy: -19.286
Base-Backbone interact. energy: -0.028
local terms energy: -40.097798
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -11.820
flat angles C4'-P-C4' energy: -8.784
flat angles P-C4'-P energy: -5.633
tors. eta vs tors. theta energy: 0.041
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: 2
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -86.568427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.568427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.568427 (E_RNA)
where:
Base-Base interactions energy: -37.771
where: short stacking energy: -20.809
Base-Backbone interact. energy: -0.003
local terms energy: -48.793791
where:
bonds (distance) C4'-P energy: -9.636
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -11.434
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -6.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -58.081874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.081874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.081874 (E_RNA)
where:
Base-Base interactions energy: -28.960
where: short stacking energy: -24.826
Base-Backbone interact. energy: -0.713
local terms energy: -28.408198
where:
bonds (distance) C4'-P energy: -8.905
bonds (distance) P-C4' energy: -1.224
flat angles C4'-P-C4' energy: -9.840
flat angles P-C4'-P energy: -2.705
tors. eta vs tors. theta energy: -5.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -153.441300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.441300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.441300 (E_RNA)
where:
Base-Base interactions energy: -93.742
where: short stacking energy: -46.161
Base-Backbone interact. energy: -0.103
local terms energy: -59.595531
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -11.686
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -13.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -144.201766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.201766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.201766 (E_RNA)
where:
Base-Base interactions energy: -84.818
where: short stacking energy: -40.980
Base-Backbone interact. energy: -1.008
local terms energy: -58.376013
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -9.964
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -6.124
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: 3, replica: 6
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -130.366454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.366454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.366454 (E_RNA)
where:
Base-Base interactions energy: -82.114
where: short stacking energy: -39.435
Base-Backbone interact. energy: -0.034
local terms energy: -48.218916
where:
bonds (distance) C4'-P energy: -9.216
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -10.310
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -7.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -136.566627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.566627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.566627 (E_RNA)
where:
Base-Base interactions energy: -82.822
where: short stacking energy: -27.520
Base-Backbone interact. energy: -0.232
local terms energy: -53.512467
where:
bonds (distance) C4'-P energy: -11.609
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -11.037
flat angles P-C4'-P energy: -7.518
tors. eta vs tors. theta energy: -10.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -120.416163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.416163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.416163 (E_RNA)
where:
Base-Base interactions energy: -77.923
where: short stacking energy: -24.996
Base-Backbone interact. energy: -0.493
local terms energy: -42.000223
where:
bonds (distance) C4'-P energy: -6.857
bonds (distance) P-C4' energy: -9.655
flat angles C4'-P-C4' energy: -12.091
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -4.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -118.828309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.828309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.828309 (E_RNA)
where:
Base-Base interactions energy: -72.672
where: short stacking energy: -29.633
Base-Backbone interact. energy: -0.014
local terms energy: -46.142787
where:
bonds (distance) C4'-P energy: -6.387
bonds (distance) P-C4' energy: -10.346
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -7.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -86.165579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.165579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.165579 (E_RNA)
where:
Base-Base interactions energy: -46.089
where: short stacking energy: -16.652
Base-Backbone interact. energy: -0.159
local terms energy: -39.918085
where:
bonds (distance) C4'-P energy: -8.822
bonds (distance) P-C4' energy: -10.641
flat angles C4'-P-C4' energy: -11.246
flat angles P-C4'-P energy: -7.747
tors. eta vs tors. theta energy: -1.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -79.366356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.366356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.366356 (E_RNA)
where:
Base-Base interactions energy: -39.864
where: short stacking energy: -12.601
Base-Backbone interact. energy: -0.262
local terms energy: -39.240456
where:
bonds (distance) C4'-P energy: -10.955
bonds (distance) P-C4' energy: -12.249
flat angles C4'-P-C4' energy: -10.158
flat angles P-C4'-P energy: -5.492
tors. eta vs tors. theta energy: -0.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -58.341333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.341333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.341333 (E_RNA)
where:
Base-Base interactions energy: -26.094
where: short stacking energy: -10.936
Base-Backbone interact. energy: -0.106
local terms energy: -32.141523
where:
bonds (distance) C4'-P energy: -10.723
bonds (distance) P-C4' energy: -11.292
flat angles C4'-P-C4' energy: -7.869
flat angles P-C4'-P energy: -5.630
tors. eta vs tors. theta energy: 3.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -60.845232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.845232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.845232 (E_RNA)
where:
Base-Base interactions energy: -22.035
where: short stacking energy: -19.472
Base-Backbone interact. energy: -0.002
local terms energy: -38.808192
where:
bonds (distance) C4'-P energy: -10.722
bonds (distance) P-C4' energy: -9.158
flat angles C4'-P-C4' energy: -10.756
flat angles P-C4'-P energy: -9.685
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: 1, replica: 4
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -153.695702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.695702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.695702 (E_RNA)
where:
Base-Base interactions energy: -98.491
where: short stacking energy: -42.867
Base-Backbone interact. energy: -0.947
local terms energy: -54.257889
where:
bonds (distance) C4'-P energy: -7.459
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -9.372
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: 2, replica: 8
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -148.376992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.376992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.376992 (E_RNA)
where:
Base-Base interactions energy: -98.790
where: short stacking energy: -47.879
Base-Backbone interact. energy: -0.081
local terms energy: -49.505911
where:
bonds (distance) C4'-P energy: -10.706
bonds (distance) P-C4' energy: -10.321
flat angles C4'-P-C4' energy: -7.617
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -13.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -134.748177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.748177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.748177 (E_RNA)
where:
Base-Base interactions energy: -81.045
where: short stacking energy: -36.700
Base-Backbone interact. energy: -0.003
local terms energy: -53.700336
where:
bonds (distance) C4'-P energy: -9.877
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -11.125
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -12.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -126.699619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.699619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.699619 (E_RNA)
where:
Base-Base interactions energy: -81.548
where: short stacking energy: -32.134
Base-Backbone interact. energy: 0.291
local terms energy: -45.443533
where:
bonds (distance) C4'-P energy: -9.658
bonds (distance) P-C4' energy: -11.169
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -3.853
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: 5, replica: 1
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -142.357011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.357011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.357011 (E_RNA)
where:
Base-Base interactions energy: -90.932
where: short stacking energy: -39.650
Base-Backbone interact. energy: 0.475
local terms energy: -51.900188
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -12.963
flat angles C4'-P-C4' energy: -10.660
flat angles P-C4'-P energy: -5.694
tors. eta vs tors. theta energy: -9.551
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: 10
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -120.170418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.170418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.170418 (E_RNA)
where:
Base-Base interactions energy: -82.337
where: short stacking energy: -27.384
Base-Backbone interact. energy: -0.017
local terms energy: -37.816784
where:
bonds (distance) C4'-P energy: -7.978
bonds (distance) P-C4' energy: -7.748
flat angles C4'-P-C4' energy: -11.922
flat angles P-C4'-P energy: -1.436
tors. eta vs tors. theta energy: -8.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -67.886464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.886464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.886464 (E_RNA)
where:
Base-Base interactions energy: -34.372
where: short stacking energy: -17.950
Base-Backbone interact. energy: -0.195
local terms energy: -33.319015
where:
bonds (distance) C4'-P energy: -6.486
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -8.722
flat angles P-C4'-P energy: -6.681
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: 9
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -85.362841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.362841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.362841 (E_RNA)
where:
Base-Base interactions energy: -42.083
where: short stacking energy: -19.228
Base-Backbone interact. energy: -0.043
local terms energy: -43.236730
where:
bonds (distance) C4'-P energy: -11.102
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -6.570
flat angles P-C4'-P energy: -5.665
tors. eta vs tors. theta energy: -5.478
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: 7
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -54.872735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.872735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.872735 (E_RNA)
where:
Base-Base interactions energy: -17.575
where: short stacking energy: -17.575
Base-Backbone interact. energy: -0.058
local terms energy: -37.240112
where:
bonds (distance) C4'-P energy: -10.784
bonds (distance) P-C4' energy: -10.684
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -4.997
tors. eta vs tors. theta energy: 2.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -55.331650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.331650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.331650 (E_RNA)
where:
Base-Base interactions energy: -24.881
where: short stacking energy: -25.054
Base-Backbone interact. energy: 0.262
local terms energy: -30.712134
where:
bonds (distance) C4'-P energy: -9.287
bonds (distance) P-C4' energy: -7.574
flat angles C4'-P-C4' energy: -6.671
flat angles P-C4'-P energy: -4.321
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: 4
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -160.076007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.076007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.076007 (E_RNA)
where:
Base-Base interactions energy: -101.057
where: short stacking energy: -39.381
Base-Backbone interact. energy: -0.108
local terms energy: -58.910941
where:
bonds (distance) C4'-P energy: -11.124
bonds (distance) P-C4' energy: -11.411
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -12.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -140.772593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.772593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.772593 (E_RNA)
where:
Base-Base interactions energy: -88.212
where: short stacking energy: -30.133
Base-Backbone interact. energy: -0.121
local terms energy: -52.439653
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -6.591
tors. eta vs tors. theta energy: -7.877
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: 8
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -141.082784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.082784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.082784 (E_RNA)
where:
Base-Base interactions energy: -81.932
where: short stacking energy: -36.062
Base-Backbone interact. energy: -1.153
local terms energy: -57.997606
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -12.002
flat angles P-C4'-P energy: -7.873
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: 4, replica: 1
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -141.517955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.517955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.517955 (E_RNA)
where:
Base-Base interactions energy: -90.324
where: short stacking energy: -27.255
Base-Backbone interact. energy: -0.006
local terms energy: -51.187802
where:
bonds (distance) C4'-P energy: -8.842
bonds (distance) P-C4' energy: -12.116
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -5.936
tors. eta vs tors. theta energy: -11.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -126.259965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.259965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.259965 (E_RNA)
where:
Base-Base interactions energy: -77.460
where: short stacking energy: -26.889
Base-Backbone interact. energy: -0.135
local terms energy: -48.664984
where:
bonds (distance) C4'-P energy: -12.652
bonds (distance) P-C4' energy: -10.033
flat angles C4'-P-C4' energy: -10.885
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -6.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -130.699240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.699240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.699240 (E_RNA)
where:
Base-Base interactions energy: -79.957
where: short stacking energy: -27.500
Base-Backbone interact. energy: -0.041
local terms energy: -50.701422
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -11.475
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -7.574
tors. eta vs tors. theta energy: -6.567
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: 2
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -63.409199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.409199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.409199 (E_RNA)
where:
Base-Base interactions energy: -25.074
where: short stacking energy: -25.074
Base-Backbone interact. energy: -0.035
local terms energy: -38.300054
where:
bonds (distance) C4'-P energy: -11.422
bonds (distance) P-C4' energy: -7.020
flat angles C4'-P-C4' energy: -9.659
flat angles P-C4'-P energy: -3.574
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: 8, replica: 9
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -87.297096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.297096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.297096 (E_RNA)
where:
Base-Base interactions energy: -48.071
where: short stacking energy: -17.604
Base-Backbone interact. energy: -0.239
local terms energy: -38.987317
where:
bonds (distance) C4'-P energy: -11.861
bonds (distance) P-C4' energy: -10.880
flat angles C4'-P-C4' energy: -4.150
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -3.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -62.329114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.329114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.329114 (E_RNA)
where:
Base-Base interactions energy: -19.734
where: short stacking energy: -12.607
Base-Backbone interact. energy: -0.278
local terms energy: -42.317514
where:
bonds (distance) C4'-P energy: -10.872
bonds (distance) P-C4' energy: -11.182
flat angles C4'-P-C4' energy: -11.598
flat angles P-C4'-P energy: -8.884
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: 3
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -59.892818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.892818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.892818 (E_RNA)
where:
Base-Base interactions energy: -25.092
where: short stacking energy: -14.254
Base-Backbone interact. energy: -0.047
local terms energy: -34.754165
where:
bonds (distance) C4'-P energy: -9.861
bonds (distance) P-C4' energy: -8.899
flat angles C4'-P-C4' energy: -9.381
flat angles P-C4'-P energy: -4.844
tors. eta vs tors. theta energy: -1.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -159.572051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.572051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.572051 (E_RNA)
where:
Base-Base interactions energy: -100.555
where: short stacking energy: -38.773
Base-Backbone interact. energy: -0.913
local terms energy: -58.104089
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -12.894
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: 5
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -142.156347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.156347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.156347 (E_RNA)
where:
Base-Base interactions energy: -87.546
where: short stacking energy: -35.238
Base-Backbone interact. energy: -0.075
local terms energy: -54.535145
where:
bonds (distance) C4'-P energy: -11.525
bonds (distance) P-C4' energy: -11.659
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -6.942
tors. eta vs tors. theta energy: -12.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -127.024399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.024399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.024399 (E_RNA)
where:
Base-Base interactions energy: -77.140
where: short stacking energy: -28.552
Base-Backbone interact. energy: -1.318
local terms energy: -48.566647
where:
bonds (distance) C4'-P energy: -9.141
bonds (distance) P-C4' energy: -12.020
flat angles C4'-P-C4' energy: -10.218
flat angles P-C4'-P energy: -7.697
tors. eta vs tors. theta energy: -9.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -134.817610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.817610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.817610 (E_RNA)
where:
Base-Base interactions energy: -85.669
where: short stacking energy: -46.091
Base-Backbone interact. energy: -0.107
local terms energy: -49.041430
where:
bonds (distance) C4'-P energy: -10.685
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -9.896
flat angles P-C4'-P energy: -3.828
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: 5, replica: 10
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -127.844081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.844081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.844081 (E_RNA)
where:
Base-Base interactions energy: -84.492
where: short stacking energy: -33.294
Base-Backbone interact. energy: 0.509
local terms energy: -43.861065
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -9.975
flat angles C4'-P-C4' energy: -8.204
flat angles P-C4'-P energy: -1.349
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: 6, replica: 6
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -120.864360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.864360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.864360 (E_RNA)
where:
Base-Base interactions energy: -72.084
where: short stacking energy: -29.511
Base-Backbone interact. energy: -0.815
local terms energy: -47.965026
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -11.835
flat angles C4'-P-C4' energy: -10.532
flat angles P-C4'-P energy: -4.864
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: 7, replica: 9
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -71.965522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.965522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.965522 (E_RNA)
where:
Base-Base interactions energy: -31.409
where: short stacking energy: -12.031
Base-Backbone interact. energy: -0.108
local terms energy: -40.448143
where:
bonds (distance) C4'-P energy: -7.853
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -10.329
flat angles P-C4'-P energy: -8.203
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: 8, replica: 2
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -64.304176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.304176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.304176 (E_RNA)
where:
Base-Base interactions energy: -24.290
where: short stacking energy: -20.706
Base-Backbone interact. energy: -0.069
local terms energy: -39.945067
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -9.119
flat angles C4'-P-C4' energy: -5.105
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -3.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -60.349407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.349407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.349407 (E_RNA)
where:
Base-Base interactions energy: -28.490
where: short stacking energy: -14.446
Base-Backbone interact. energy: -0.165
local terms energy: -31.694389
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -8.473
flat angles C4'-P-C4' energy: -10.815
flat angles P-C4'-P energy: -4.557
tors. eta vs tors. theta energy: 4.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -58.069555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.069555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.069555 (E_RNA)
where:
Base-Base interactions energy: -16.491
where: short stacking energy: -14.387
Base-Backbone interact. energy: -0.009
local terms energy: -41.568811
where:
bonds (distance) C4'-P energy: -9.492
bonds (distance) P-C4' energy: -13.162
flat angles C4'-P-C4' energy: -9.445
flat angles P-C4'-P energy: -6.514
tors. eta vs tors. theta energy: -2.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -143.540742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.540742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.540742 (E_RNA)
where:
Base-Base interactions energy: -94.348
where: short stacking energy: -37.780
Base-Backbone interact. energy: -0.067
local terms energy: -49.126533
where:
bonds (distance) C4'-P energy: -12.022
bonds (distance) P-C4' energy: -11.054
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -4.589
tors. eta vs tors. theta energy: -10.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -141.020324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.020324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.020324 (E_RNA)
where:
Base-Base interactions energy: -82.285
where: short stacking energy: -40.508
Base-Backbone interact. energy: -0.056
local terms energy: -58.679400
where:
bonds (distance) C4'-P energy: -12.329
bonds (distance) P-C4' energy: -12.318
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: -13.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -140.636454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.636454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.636454 (E_RNA)
where:
Base-Base interactions energy: -86.790
where: short stacking energy: -34.386
Base-Backbone interact. energy: -0.045
local terms energy: -53.801103
where:
bonds (distance) C4'-P energy: -10.569
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -8.463
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: 4, replica: 10
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -132.035634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.035634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.035634 (E_RNA)
where:
Base-Base interactions energy: -86.001
where: short stacking energy: -25.211
Base-Backbone interact. energy: 3.693
local terms energy: -49.727481
where:
bonds (distance) C4'-P energy: -10.237
bonds (distance) P-C4' energy: -11.436
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -9.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -130.947971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.947971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.947971 (E_RNA)
where:
Base-Base interactions energy: -84.464
where: short stacking energy: -33.514
Base-Backbone interact. energy: -0.132
local terms energy: -46.351541
where:
bonds (distance) C4'-P energy: -8.527
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -10.435
flat angles P-C4'-P energy: -5.992
tors. eta vs tors. theta energy: -9.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -124.881500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.881500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.881500 (E_RNA)
where:
Base-Base interactions energy: -69.661
where: short stacking energy: -30.660
Base-Backbone interact. energy: -0.003
local terms energy: -55.217031
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -8.525
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -12.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -77.344258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.344258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.344258 (E_RNA)
where:
Base-Base interactions energy: -40.937
where: short stacking energy: -15.002
Base-Backbone interact. energy: -0.245
local terms energy: -36.162206
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -9.787
flat angles C4'-P-C4' energy: -8.034
flat angles P-C4'-P energy: -1.758
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: 109
Temperature: 1.250000
Total energy: -66.267965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.267965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.267965 (E_RNA)
where:
Base-Base interactions energy: -21.480
where: short stacking energy: -21.480
Base-Backbone interact. energy: -0.027
local terms energy: -44.761032
where:
bonds (distance) C4'-P energy: -12.056
bonds (distance) P-C4' energy: -10.404
flat angles C4'-P-C4' energy: -8.725
flat angles P-C4'-P energy: -7.089
tors. eta vs tors. theta energy: -6.487
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: 2
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -64.129663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.129663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.129663 (E_RNA)
where:
Base-Base interactions energy: -20.646
where: short stacking energy: -16.869
Base-Backbone interact. energy: -0.095
local terms energy: -43.389228
where:
bonds (distance) C4'-P energy: -10.316
bonds (distance) P-C4' energy: -11.335
flat angles C4'-P-C4' energy: -9.523
flat angles P-C4'-P energy: -6.953
tors. eta vs tors. theta energy: -5.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -51.320996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.320996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.320996 (E_RNA)
where:
Base-Base interactions energy: -17.640
where: short stacking energy: -16.742
Base-Backbone interact. energy: 1.019
local terms energy: -34.700147
where:
bonds (distance) C4'-P energy: -8.502
bonds (distance) P-C4' energy: -12.172
flat angles C4'-P-C4' energy: -9.399
flat angles P-C4'-P energy: -4.149
tors. eta vs tors. theta energy: -0.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -134.141271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.141271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.141271 (E_RNA)
where:
Base-Base interactions energy: -81.857
where: short stacking energy: -33.293
Base-Backbone interact. energy: -0.423
local terms energy: -51.861443
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -12.579
flat angles C4'-P-C4' energy: -11.480
flat angles P-C4'-P energy: -4.574
tors. eta vs tors. theta energy: -10.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -149.441068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.441068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.441068 (E_RNA)
where:
Base-Base interactions energy: -105.036
where: short stacking energy: -33.115
Base-Backbone interact. energy: -0.061
local terms energy: -44.344791
where:
bonds (distance) C4'-P energy: -8.520
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -9.083
flat angles P-C4'-P energy: -6.934
tors. eta vs tors. theta energy: -7.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -130.762711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.762711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.762711 (E_RNA)
where:
Base-Base interactions energy: -84.268
where: short stacking energy: -26.474
Base-Backbone interact. energy: -0.170
local terms energy: -46.324744
where:
bonds (distance) C4'-P energy: -11.910
bonds (distance) P-C4' energy: -11.672
flat angles C4'-P-C4' energy: -9.538
flat angles P-C4'-P energy: -6.590
tors. eta vs tors. theta energy: -6.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -132.448844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.448844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.448844 (E_RNA)
where:
Base-Base interactions energy: -73.960
where: short stacking energy: -33.056
Base-Backbone interact. energy: -0.014
local terms energy: -58.474498
where:
bonds (distance) C4'-P energy: -13.492
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -7.738
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: 5, replica: 6
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -124.611471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.611471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.611471 (E_RNA)
where:
Base-Base interactions energy: -77.707
where: short stacking energy: -36.175
Base-Backbone interact. energy: -0.046
local terms energy: -46.858991
where:
bonds (distance) C4'-P energy: -9.236
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -8.083
flat angles P-C4'-P energy: -7.368
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: 8
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -105.733352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.733352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.733352 (E_RNA)
where:
Base-Base interactions energy: -60.729
where: short stacking energy: -35.268
Base-Backbone interact. energy: 1.302
local terms energy: -46.306283
where:
bonds (distance) C4'-P energy: -8.095
bonds (distance) P-C4' energy: -10.672
flat angles C4'-P-C4' energy: -7.440
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -11.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -62.336311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.336311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.336311 (E_RNA)
where:
Base-Base interactions energy: -18.791
where: short stacking energy: -19.491
Base-Backbone interact. energy: -0.179
local terms energy: -43.365785
where:
bonds (distance) C4'-P energy: -9.720
bonds (distance) P-C4' energy: -10.557
flat angles C4'-P-C4' energy: -11.271
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -2.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -59.793087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.793087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.793087 (E_RNA)
where:
Base-Base interactions energy: -17.753
where: short stacking energy: -8.268
Base-Backbone interact. energy: -0.135
local terms energy: -41.904253
where:
bonds (distance) C4'-P energy: -10.395
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -6.267
tors. eta vs tors. theta energy: 1.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -57.001764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.001764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.001764 (E_RNA)
where:
Base-Base interactions energy: -20.664
where: short stacking energy: -13.965
Base-Backbone interact. energy: -0.131
local terms energy: -36.206605
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -7.725
flat angles C4'-P-C4' energy: -9.351
flat angles P-C4'-P energy: -7.562
tors. eta vs tors. theta energy: 0.645
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: 2
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -58.642456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.642456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.642456 (E_RNA)
where:
Base-Base interactions energy: -16.966
where: short stacking energy: -13.677
Base-Backbone interact. energy: -0.035
local terms energy: -41.640768
where:
bonds (distance) C4'-P energy: -9.588
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -9.589
flat angles P-C4'-P energy: -9.032
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: 1
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -141.233537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.233537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.233537 (E_RNA)
where:
Base-Base interactions energy: -93.690
where: short stacking energy: -31.262
Base-Backbone interact. energy: -0.072
local terms energy: -47.471930
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -10.305
flat angles C4'-P-C4' energy: -11.200
flat angles P-C4'-P energy: -5.182
tors. eta vs tors. theta energy: -8.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -161.550236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.550236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.550236 (E_RNA)
where:
Base-Base interactions energy: -112.428
where: short stacking energy: -28.600
Base-Backbone interact. energy: -0.190
local terms energy: -48.932621
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -11.080
flat angles C4'-P-C4' energy: -8.436
flat angles P-C4'-P energy: -5.340
tors. eta vs tors. theta energy: -11.242
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: 10
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -148.046862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.046862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.046862 (E_RNA)
where:
Base-Base interactions energy: -101.381
where: short stacking energy: -35.369
Base-Backbone interact. energy: -1.230
local terms energy: -45.435229
where:
bonds (distance) C4'-P energy: -9.976
bonds (distance) P-C4' energy: -11.312
flat angles C4'-P-C4' energy: -10.061
flat angles P-C4'-P energy: -4.251
tors. eta vs tors. theta energy: -9.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -130.250458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.250458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.250458 (E_RNA)
where:
Base-Base interactions energy: -86.404
where: short stacking energy: -30.058
Base-Backbone interact. energy: -0.116
local terms energy: -43.729974
where:
bonds (distance) C4'-P energy: -4.550
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -5.417
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: 5, replica: 5
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -131.877551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.877551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.877551 (E_RNA)
where:
Base-Base interactions energy: -81.303
where: short stacking energy: -27.801
Base-Backbone interact. energy: -0.009
local terms energy: -50.566144
where:
bonds (distance) C4'-P energy: -12.234
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -10.129
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -7.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -111.374834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.374834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.374834 (E_RNA)
where:
Base-Base interactions energy: -66.054
where: short stacking energy: -31.470
Base-Backbone interact. energy: -0.060
local terms energy: -45.261645
where:
bonds (distance) C4'-P energy: -10.312
bonds (distance) P-C4' energy: -11.716
flat angles C4'-P-C4' energy: -10.456
flat angles P-C4'-P energy: -2.343
tors. eta vs tors. theta energy: -10.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -56.572908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.572908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.572908 (E_RNA)
where:
Base-Base interactions energy: -19.587
where: short stacking energy: -18.995
Base-Backbone interact. energy: -0.008
local terms energy: -36.977854
where:
bonds (distance) C4'-P energy: -11.529
bonds (distance) P-C4' energy: -12.213
flat angles C4'-P-C4' energy: -6.101
flat angles P-C4'-P energy: -6.619
tors. eta vs tors. theta energy: -0.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -65.244184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.244184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.244184 (E_RNA)
where:
Base-Base interactions energy: -25.209
where: short stacking energy: -17.849
Base-Backbone interact. energy: -0.177
local terms energy: -39.858195
where:
bonds (distance) C4'-P energy: -7.999
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -11.841
flat angles P-C4'-P energy: -5.358
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: 9, replica: 9
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -55.496302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.496302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.496302 (E_RNA)
where:
Base-Base interactions energy: -14.933
where: short stacking energy: -14.531
Base-Backbone interact. energy: -0.054
local terms energy: -40.509044
where:
bonds (distance) C4'-P energy: -9.597
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -6.001
tors. eta vs tors. theta energy: 2.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -67.310926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.310926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.310926 (E_RNA)
where:
Base-Base interactions energy: -37.301
where: short stacking energy: -14.696
Base-Backbone interact. energy: -0.764
local terms energy: -29.244959
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -11.239
flat angles C4'-P-C4' energy: -2.240
flat angles P-C4'-P energy: -2.807
tors. eta vs tors. theta energy: -1.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -162.491271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.491271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.491271 (E_RNA)
where:
Base-Base interactions energy: -108.451
where: short stacking energy: -46.923
Base-Backbone interact. energy: -0.075
local terms energy: -53.965866
where:
bonds (distance) C4'-P energy: -12.565
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -8.413
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: -12.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -140.480122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.480122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.480122 (E_RNA)
where:
Base-Base interactions energy: -89.968
where: short stacking energy: -32.259
Base-Backbone interact. energy: -0.017
local terms energy: -50.495233
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -9.082
flat angles C4'-P-C4' energy: -12.099
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -5.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -149.938516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.938516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.938516 (E_RNA)
where:
Base-Base interactions energy: -92.939
where: short stacking energy: -44.675
Base-Backbone interact. energy: -0.005
local terms energy: -56.994748
where:
bonds (distance) C4'-P energy: -10.180
bonds (distance) P-C4' energy: -11.517
flat angles C4'-P-C4' energy: -12.500
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -13.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -140.045162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.045162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.045162 (E_RNA)
where:
Base-Base interactions energy: -95.213
where: short stacking energy: -31.821
Base-Backbone interact. energy: -0.147
local terms energy: -44.685031
where:
bonds (distance) C4'-P energy: -10.934
bonds (distance) P-C4' energy: -11.269
flat angles C4'-P-C4' energy: -9.882
flat angles P-C4'-P energy: -5.019
tors. eta vs tors. theta energy: -7.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -132.671708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.671708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.671708 (E_RNA)
where:
Base-Base interactions energy: -88.062
where: short stacking energy: -38.811
Base-Backbone interact. energy: -0.261
local terms energy: -44.348485
where:
bonds (distance) C4'-P energy: -7.548
bonds (distance) P-C4' energy: -8.731
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -6.921
tors. eta vs tors. theta energy: -7.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -112.720053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.720053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.720053 (E_RNA)
where:
Base-Base interactions energy: -70.652
where: short stacking energy: -28.181
Base-Backbone interact. energy: 3.402
local terms energy: -45.470025
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -2.606
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: 7, replica: 3
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -67.192183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.192183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.192183 (E_RNA)
where:
Base-Base interactions energy: -33.467
where: short stacking energy: -24.325
Base-Backbone interact. energy: -0.815
local terms energy: -32.909879
where:
bonds (distance) C4'-P energy: -7.579
bonds (distance) P-C4' energy: -12.702
flat angles C4'-P-C4' energy: -5.432
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: 2.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -72.684320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.684320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.684320 (E_RNA)
where:
Base-Base interactions energy: -30.902
where: short stacking energy: -21.385
Base-Backbone interact. energy: -0.184
local terms energy: -41.597914
where:
bonds (distance) C4'-P energy: -10.809
bonds (distance) P-C4' energy: -11.974
flat angles C4'-P-C4' energy: -9.683
flat angles P-C4'-P energy: -7.131
tors. eta vs tors. theta energy: -2.001
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: 2
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -62.402286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.402286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.402286 (E_RNA)
where:
Base-Base interactions energy: -25.538
where: short stacking energy: -13.049
Base-Backbone interact. energy: -1.844
local terms energy: -35.019851
where:
bonds (distance) C4'-P energy: -11.529
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -10.594
flat angles P-C4'-P energy: -1.439
tors. eta vs tors. theta energy: 2.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -55.265529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.265529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.265529 (E_RNA)
where:
Base-Base interactions energy: -14.079
where: short stacking energy: -12.444
Base-Backbone interact. energy: -0.097
local terms energy: -41.089734
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -9.473
flat angles C4'-P-C4' energy: -11.795
flat angles P-C4'-P energy: -5.484
tors. eta vs tors. theta energy: -1.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -151.135766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.135766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.135766 (E_RNA)
where:
Base-Base interactions energy: -92.866
where: short stacking energy: -39.521
Base-Backbone interact. energy: -0.010
local terms energy: -58.259783
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -5.659
tors. eta vs tors. theta energy: -12.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -153.172711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.172711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.172711 (E_RNA)
where:
Base-Base interactions energy: -92.169
where: short stacking energy: -36.247
Base-Backbone interact. energy: 0.802
local terms energy: -61.805478
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -12.080
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -13.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -123.998066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.998066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.998066 (E_RNA)
where:
Base-Base interactions energy: -75.127
where: short stacking energy: -18.096
Base-Backbone interact. energy: 0.121
local terms energy: -48.991382
where:
bonds (distance) C4'-P energy: -13.086
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -9.349
flat angles P-C4'-P energy: -5.414
tors. eta vs tors. theta energy: -8.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -135.943928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.943928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.943928 (E_RNA)
where:
Base-Base interactions energy: -83.956
where: short stacking energy: -38.998
Base-Backbone interact. energy: -0.086
local terms energy: -51.901623
where:
bonds (distance) C4'-P energy: -10.441
bonds (distance) P-C4' energy: -9.052
flat angles C4'-P-C4' energy: -10.335
flat angles P-C4'-P energy: -8.355
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: 5, replica: 10
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -129.848060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.848060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.848060 (E_RNA)
where:
Base-Base interactions energy: -80.182
where: short stacking energy: -32.291
Base-Backbone interact. energy: -0.009
local terms energy: -49.657464
where:
bonds (distance) C4'-P energy: -10.227
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -11.421
flat angles P-C4'-P energy: -7.596
tors. eta vs tors. theta energy: -7.861
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: 8
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -109.470123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.470123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.470123 (E_RNA)
where:
Base-Base interactions energy: -58.531
where: short stacking energy: -26.908
Base-Backbone interact. energy: -0.135
local terms energy: -50.804904
where:
bonds (distance) C4'-P energy: -11.737
bonds (distance) P-C4' energy: -11.447
flat angles C4'-P-C4' energy: -12.317
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -5.919
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: 3
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -60.216682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.216682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.216682 (E_RNA)
where:
Base-Base interactions energy: -22.436
where: short stacking energy: -15.758
Base-Backbone interact. energy: -0.219
local terms energy: -37.561867
where:
bonds (distance) C4'-P energy: -11.894
bonds (distance) P-C4' energy: -10.933
flat angles C4'-P-C4' energy: -5.637
flat angles P-C4'-P energy: -8.761
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: 8, replica: 2
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -56.293914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.293914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.293914 (E_RNA)
where:
Base-Base interactions energy: -14.107
where: short stacking energy: -9.274
Base-Backbone interact. energy: -0.062
local terms energy: -42.124835
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -12.364
flat angles P-C4'-P energy: -6.563
tors. eta vs tors. theta energy: 1.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -62.587616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.587616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.587616 (E_RNA)
where:
Base-Base interactions energy: -18.046
where: short stacking energy: -18.046
Base-Backbone interact. energy: -0.070
local terms energy: -44.472101
where:
bonds (distance) C4'-P energy: -8.417
bonds (distance) P-C4' energy: -10.808
flat angles C4'-P-C4' energy: -10.983
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: -6.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -56.073524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.073524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.073524 (E_RNA)
where:
Base-Base interactions energy: -14.809
where: short stacking energy: -14.809
Base-Backbone interact. energy: -0.012
local terms energy: -41.252680
where:
bonds (distance) C4'-P energy: -7.652
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -9.255
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -2.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -152.260075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.260075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.260075 (E_RNA)
where:
Base-Base interactions energy: -96.025
where: short stacking energy: -34.188
Base-Backbone interact. energy: -0.165
local terms energy: -56.069489
where:
bonds (distance) C4'-P energy: -9.857
bonds (distance) P-C4' energy: -10.055
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: -14.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -152.446018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.446018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.446018 (E_RNA)
where:
Base-Base interactions energy: -99.525
where: short stacking energy: -44.572
Base-Backbone interact. energy: -0.056
local terms energy: -52.865439
where:
bonds (distance) C4'-P energy: -11.157
bonds (distance) P-C4' energy: -12.075
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -3.301
tors. eta vs tors. theta energy: -12.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -142.223463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.223463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.223463 (E_RNA)
where:
Base-Base interactions energy: -93.472
where: short stacking energy: -35.809
Base-Backbone interact. energy: -0.027
local terms energy: -48.724311
where:
bonds (distance) C4'-P energy: -9.398
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -11.990
flat angles P-C4'-P energy: -5.753
tors. eta vs tors. theta energy: -9.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -140.805129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.805129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.805129 (E_RNA)
where:
Base-Base interactions energy: -92.628
where: short stacking energy: -35.729
Base-Backbone interact. energy: -0.035
local terms energy: -48.141864
where:
bonds (distance) C4'-P energy: -9.568
bonds (distance) P-C4' energy: -12.358
flat angles C4'-P-C4' energy: -9.399
flat angles P-C4'-P energy: -7.529
tors. eta vs tors. theta energy: -9.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -127.963999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.963999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.963999 (E_RNA)
where:
Base-Base interactions energy: -79.284
where: short stacking energy: -36.496
Base-Backbone interact. energy: -0.001
local terms energy: -48.679197
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -10.975
flat angles P-C4'-P energy: -6.198
tors. eta vs tors. theta energy: -8.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -94.135020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.135020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.135020 (E_RNA)
where:
Base-Base interactions energy: -54.001
where: short stacking energy: -17.489
Base-Backbone interact. energy: -0.009
local terms energy: -40.124617
where:
bonds (distance) C4'-P energy: -10.192
bonds (distance) P-C4' energy: -9.776
flat angles C4'-P-C4' energy: -11.278
flat angles P-C4'-P energy: -7.817
tors. eta vs tors. theta energy: -1.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -83.204256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.204256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.204256 (E_RNA)
where:
Base-Base interactions energy: -47.644
where: short stacking energy: -19.665
Base-Backbone interact. energy: -0.047
local terms energy: -35.512971
where:
bonds (distance) C4'-P energy: -10.333
bonds (distance) P-C4' energy: -11.504
flat angles C4'-P-C4' energy: -8.673
flat angles P-C4'-P energy: -4.458
tors. eta vs tors. theta energy: -0.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -62.744445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.744445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.744445 (E_RNA)
where:
Base-Base interactions energy: -25.850
where: short stacking energy: -21.670
Base-Backbone interact. energy: 0.152
local terms energy: -37.046653
where:
bonds (distance) C4'-P energy: -10.756
bonds (distance) P-C4' energy: -9.056
flat angles C4'-P-C4' energy: -7.385
flat angles P-C4'-P energy: -6.743
tors. eta vs tors. theta energy: -3.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -65.049749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.049749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.049749 (E_RNA)
where:
Base-Base interactions energy: -22.755
where: short stacking energy: -10.099
Base-Backbone interact. energy: -0.056
local terms energy: -42.238257
where:
bonds (distance) C4'-P energy: -10.918
bonds (distance) P-C4' energy: -11.831
flat angles C4'-P-C4' energy: -8.281
flat angles P-C4'-P energy: -6.503
tors. eta vs tors. theta energy: -4.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -55.913373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.913373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.913373 (E_RNA)
where:
Base-Base interactions energy: -28.728
where: short stacking energy: -14.018
Base-Backbone interact. energy: -0.317
local terms energy: -26.868759
where:
bonds (distance) C4'-P energy: -4.418
bonds (distance) P-C4' energy: -10.439
flat angles C4'-P-C4' energy: -5.776
flat angles P-C4'-P energy: -7.870
tors. eta vs tors. theta energy: 1.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -153.247359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.247359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.247359 (E_RNA)
where:
Base-Base interactions energy: -96.372
where: short stacking energy: -41.695
Base-Backbone interact. energy: -0.093
local terms energy: -56.782635
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -11.750
flat angles P-C4'-P energy: -6.073
tors. eta vs tors. theta energy: -14.344
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: 5
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -153.397607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.397607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.397607 (E_RNA)
where:
Base-Base interactions energy: -96.727
where: short stacking energy: -36.085
Base-Backbone interact. energy: -0.229
local terms energy: -56.441524
where:
bonds (distance) C4'-P energy: -13.012
bonds (distance) P-C4' energy: -12.264
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -7.448
tors. eta vs tors. theta energy: -10.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -149.952575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.952575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.952575 (E_RNA)
where:
Base-Base interactions energy: -100.387
where: short stacking energy: -37.014
Base-Backbone interact. energy: -0.019
local terms energy: -49.546247
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -10.932
flat angles P-C4'-P energy: -6.561
tors. eta vs tors. theta energy: -5.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -132.470172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.470172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.470172 (E_RNA)
where:
Base-Base interactions energy: -85.324
where: short stacking energy: -28.490
Base-Backbone interact. energy: -0.499
local terms energy: -46.647324
where:
bonds (distance) C4'-P energy: -10.769
bonds (distance) P-C4' energy: -9.546
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -4.389
tors. eta vs tors. theta energy: -9.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -140.442671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.442671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.442671 (E_RNA)
where:
Base-Base interactions energy: -91.940
where: short stacking energy: -29.422
Base-Backbone interact. energy: -0.165
local terms energy: -48.337603
where:
bonds (distance) C4'-P energy: -10.064
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -9.983
flat angles P-C4'-P energy: -5.783
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: 6, replica: 2
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -67.607275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.607275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.607275 (E_RNA)
where:
Base-Base interactions energy: -16.922
where: short stacking energy: -14.223
Base-Backbone interact. energy: 2.167
local terms energy: -52.851835
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -10.734
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -5.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -64.920816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.920816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.920816 (E_RNA)
where:
Base-Base interactions energy: -33.308
where: short stacking energy: -12.650
Base-Backbone interact. energy: -1.036
local terms energy: -30.577130
where:
bonds (distance) C4'-P energy: -8.695
bonds (distance) P-C4' energy: -8.149
flat angles C4'-P-C4' energy: -9.173
flat angles P-C4'-P energy: -3.380
tors. eta vs tors. theta energy: -1.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -60.870310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.870310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.870310 (E_RNA)
where:
Base-Base interactions energy: -20.760
where: short stacking energy: -19.118
Base-Backbone interact. energy: -0.178
local terms energy: -39.932357
where:
bonds (distance) C4'-P energy: -9.978
bonds (distance) P-C4' energy: -12.299
flat angles C4'-P-C4' energy: -12.617
flat angles P-C4'-P energy: -3.148
tors. eta vs tors. theta energy: -1.890
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: 3
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -60.840330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.840330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.840330 (E_RNA)
where:
Base-Base interactions energy: -30.946
where: short stacking energy: -13.093
Base-Backbone interact. energy: 1.026
local terms energy: -30.920351
where:
bonds (distance) C4'-P energy: -10.502
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -1.825
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: 1.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -51.263098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.263098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.263098 (E_RNA)
where:
Base-Base interactions energy: -17.297
where: short stacking energy: -17.297
Base-Backbone interact. energy: -0.199
local terms energy: -33.767003
where:
bonds (distance) C4'-P energy: -11.720
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -2.797
flat angles P-C4'-P energy: -5.032
tors. eta vs tors. theta energy: -1.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -150.918442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.918442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.918442 (E_RNA)
where:
Base-Base interactions energy: -100.087
where: short stacking energy: -40.488
Base-Backbone interact. energy: -0.330
local terms energy: -50.501783
where:
bonds (distance) C4'-P energy: -11.178
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -10.950
flat angles P-C4'-P energy: -5.993
tors. eta vs tors. theta energy: -8.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -158.059162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.059162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.059162 (E_RNA)
where:
Base-Base interactions energy: -103.433
where: short stacking energy: -41.337
Base-Backbone interact. energy: -0.017
local terms energy: -54.609156
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -2.968
tors. eta vs tors. theta energy: -11.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -135.529532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.529532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.529532 (E_RNA)
where:
Base-Base interactions energy: -86.984
where: short stacking energy: -32.227
Base-Backbone interact. energy: -0.047
local terms energy: -48.498547
where:
bonds (distance) C4'-P energy: -9.373
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -8.649
flat angles P-C4'-P energy: -7.231
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: 4, replica: 4
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -137.418271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.418271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.418271 (E_RNA)
where:
Base-Base interactions energy: -95.509
where: short stacking energy: -32.530
Base-Backbone interact. energy: -0.325
local terms energy: -41.583954
where:
bonds (distance) C4'-P energy: -7.199
bonds (distance) P-C4' energy: -11.860
flat angles C4'-P-C4' energy: -7.893
flat angles P-C4'-P energy: -5.360
tors. eta vs tors. theta energy: -9.272
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: 5, replica: 1
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -144.069806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.069806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.069806 (E_RNA)
where:
Base-Base interactions energy: -89.981
where: short stacking energy: -40.408
Base-Backbone interact. energy: -0.602
local terms energy: -53.487304
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -3.364
tors. eta vs tors. theta energy: -12.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -81.683309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.683309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.683309 (E_RNA)
where:
Base-Base interactions energy: -45.536
where: short stacking energy: -17.990
Base-Backbone interact. energy: -0.394
local terms energy: -35.752889
where:
bonds (distance) C4'-P energy: -7.878
bonds (distance) P-C4' energy: -10.022
flat angles C4'-P-C4' energy: -8.974
flat angles P-C4'-P energy: -3.407
tors. eta vs tors. theta energy: -5.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -66.022379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.022379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.022379 (E_RNA)
where:
Base-Base interactions energy: -29.833
where: short stacking energy: -20.876
Base-Backbone interact. energy: 1.003
local terms energy: -37.192287
where:
bonds (distance) C4'-P energy: -6.898
bonds (distance) P-C4' energy: -12.350
flat angles C4'-P-C4' energy: -9.809
flat angles P-C4'-P energy: -6.506
tors. eta vs tors. theta energy: -1.630
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: 8
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -89.598455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.598455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.598455 (E_RNA)
where:
Base-Base interactions energy: -43.262
where: short stacking energy: -17.500
Base-Backbone interact. energy: -0.606
local terms energy: -45.730719
where:
bonds (distance) C4'-P energy: -11.542
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -10.258
flat angles P-C4'-P energy: -7.185
tors. eta vs tors. theta energy: -4.115
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: 3
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -62.716365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.716365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.716365 (E_RNA)
where:
Base-Base interactions energy: -24.391
where: short stacking energy: -15.832
Base-Backbone interact. energy: -0.194
local terms energy: -38.131809
where:
bonds (distance) C4'-P energy: -11.467
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -9.742
flat angles P-C4'-P energy: -4.164
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: 7
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -61.873157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.873157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.873157 (E_RNA)
where:
Base-Base interactions energy: -20.155
where: short stacking energy: -20.455
Base-Backbone interact. energy: -0.026
local terms energy: -41.692797
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -11.084
flat angles P-C4'-P energy: -5.098
tors. eta vs tors. theta energy: -2.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -156.909378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.909378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.909378 (E_RNA)
where:
Base-Base interactions energy: -101.840
where: short stacking energy: -36.760
Base-Backbone interact. energy: -0.207
local terms energy: -54.862202
where:
bonds (distance) C4'-P energy: -10.715
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -10.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -155.727709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.727709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.727709 (E_RNA)
where:
Base-Base interactions energy: -97.775
where: short stacking energy: -52.044
Base-Backbone interact. energy: -0.003
local terms energy: -57.950129
where:
bonds (distance) C4'-P energy: -11.935
bonds (distance) P-C4' energy: -14.932
flat angles C4'-P-C4' energy: -9.849
flat angles P-C4'-P energy: -5.428
tors. eta vs tors. theta energy: -15.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -150.377781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.377781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.377781 (E_RNA)
where:
Base-Base interactions energy: -101.599
where: short stacking energy: -36.948
Base-Backbone interact. energy: -0.028
local terms energy: -48.750191
where:
bonds (distance) C4'-P energy: -9.589
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -10.176
flat angles P-C4'-P energy: -6.072
tors. eta vs tors. theta energy: -10.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -146.092721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.092721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.092721 (E_RNA)
where:
Base-Base interactions energy: -97.618
where: short stacking energy: -30.515
Base-Backbone interact. energy: 0.469
local terms energy: -48.943494
where:
bonds (distance) C4'-P energy: -11.484
bonds (distance) P-C4' energy: -7.467
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -5.640
tors. eta vs tors. theta energy: -10.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -127.969081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.969081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.969081 (E_RNA)
where:
Base-Base interactions energy: -80.900
where: short stacking energy: -33.137
Base-Backbone interact. energy: -0.007
local terms energy: -47.062451
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -6.567
flat angles P-C4'-P energy: -4.841
tors. eta vs tors. theta energy: -10.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -71.184700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.184700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.184700 (E_RNA)
where:
Base-Base interactions energy: -27.608
where: short stacking energy: -16.899
Base-Backbone interact. energy: -0.014
local terms energy: -43.562869
where:
bonds (distance) C4'-P energy: -12.068
bonds (distance) P-C4' energy: -8.290
flat angles C4'-P-C4' energy: -11.297
flat angles P-C4'-P energy: -6.776
tors. eta vs tors. theta energy: -5.133
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: 7, replica: 2
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -63.415126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.415126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.415126 (E_RNA)
where:
Base-Base interactions energy: -29.324
where: short stacking energy: -19.315
Base-Backbone interact. energy: -0.100
local terms energy: -33.991046
where:
bonds (distance) C4'-P energy: -11.444
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -5.439
flat angles P-C4'-P energy: -4.485
tors. eta vs tors. theta energy: 0.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -65.822417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.822417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.822417 (E_RNA)
where:
Base-Base interactions energy: -24.905
where: short stacking energy: -11.833
Base-Backbone interact. energy: -0.265
local terms energy: -40.652370
where:
bonds (distance) C4'-P energy: -10.043
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -10.976
flat angles P-C4'-P energy: -5.761
tors. eta vs tors. theta energy: -0.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -93.037803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.037803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.037803 (E_RNA)
where:
Base-Base interactions energy: -56.843
where: short stacking energy: -26.518
Base-Backbone interact. energy: -0.230
local terms energy: -35.964845
where:
bonds (distance) C4'-P energy: -11.795
bonds (distance) P-C4' energy: -8.788
flat angles C4'-P-C4' energy: -6.652
flat angles P-C4'-P energy: 1.857
tors. eta vs tors. theta energy: -10.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -58.557340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.557340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.557340 (E_RNA)
where:
Base-Base interactions energy: -25.453
where: short stacking energy: -18.388
Base-Backbone interact. energy: -0.280
local terms energy: -32.824424
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -7.151
flat angles C4'-P-C4' energy: -6.737
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: 0.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -166.372462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.372462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.372462 (E_RNA)
where:
Base-Base interactions energy: -105.529
where: short stacking energy: -42.987
Base-Backbone interact. energy: -0.004
local terms energy: -60.839942
where:
bonds (distance) C4'-P energy: -13.567
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -10.474
flat angles P-C4'-P energy: -11.000
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: 2, replica: 5
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -158.340257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.340257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.340257 (E_RNA)
where:
Base-Base interactions energy: -102.045
where: short stacking energy: -40.543
Base-Backbone interact. energy: -0.101
local terms energy: -56.194892
where:
bonds (distance) C4'-P energy: -10.280
bonds (distance) P-C4' energy: -12.519
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -7.232
tors. eta vs tors. theta energy: -12.460
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: 3, replica: 4
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -155.792483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.792483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.792483 (E_RNA)
where:
Base-Base interactions energy: -104.730
where: short stacking energy: -39.740
Base-Backbone interact. energy: -0.025
local terms energy: -51.036988
where:
bonds (distance) C4'-P energy: -10.689
bonds (distance) P-C4' energy: -10.927
flat angles C4'-P-C4' energy: -11.572
flat angles P-C4'-P energy: -8.562
tors. eta vs tors. theta energy: -9.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -141.259071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.259071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.259071 (E_RNA)
where:
Base-Base interactions energy: -87.192
where: short stacking energy: -35.100
Base-Backbone interact. energy: -0.903
local terms energy: -53.164766
where:
bonds (distance) C4'-P energy: -10.893
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -8.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -126.783818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.783818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.783818 (E_RNA)
where:
Base-Base interactions energy: -80.158
where: short stacking energy: -32.303
Base-Backbone interact. energy: -0.174
local terms energy: -46.451681
where:
bonds (distance) C4'-P energy: -9.024
bonds (distance) P-C4' energy: -10.700
flat angles C4'-P-C4' energy: -8.797
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -9.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -62.793478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.793478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.793478 (E_RNA)
where:
Base-Base interactions energy: -25.621
where: short stacking energy: -25.551
Base-Backbone interact. energy: -0.093
local terms energy: -37.079730
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -9.220
flat angles C4'-P-C4' energy: -7.678
flat angles P-C4'-P energy: -6.670
tors. eta vs tors. theta energy: -1.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -71.445934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.445934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.445934 (E_RNA)
where:
Base-Base interactions energy: -27.785
where: short stacking energy: -20.980
Base-Backbone interact. energy: 1.544
local terms energy: -45.204887
where:
bonds (distance) C4'-P energy: -11.488
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -12.499
flat angles P-C4'-P energy: -6.876
tors. eta vs tors. theta energy: -1.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -67.033865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.033865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.033865 (E_RNA)
where:
Base-Base interactions energy: -20.963
where: short stacking energy: -20.971
Base-Backbone interact. energy: -1.327
local terms energy: -44.743700
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -11.697
flat angles C4'-P-C4' energy: -11.335
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: -1.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -63.307406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.307406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.307406 (E_RNA)
where:
Base-Base interactions energy: -24.489
where: short stacking energy: -13.489
Base-Backbone interact. energy: -0.148
local terms energy: -38.670629
where:
bonds (distance) C4'-P energy: -10.627
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -7.658
flat angles P-C4'-P energy: -7.385
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: 10, replica: 8
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -51.078469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.078469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.078469 (E_RNA)
where:
Base-Base interactions energy: -12.977
where: short stacking energy: -12.365
Base-Backbone interact. energy: -0.630
local terms energy: -37.471737
where:
bonds (distance) C4'-P energy: -10.206
bonds (distance) P-C4' energy: -9.179
flat angles C4'-P-C4' energy: -11.766
flat angles P-C4'-P energy: -6.731
tors. eta vs tors. theta energy: 0.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -154.113374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.113374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.113374 (E_RNA)
where:
Base-Base interactions energy: -104.587
where: short stacking energy: -34.604
Base-Backbone interact. energy: -0.082
local terms energy: -49.444073
where:
bonds (distance) C4'-P energy: -10.403
bonds (distance) P-C4' energy: -11.687
flat angles C4'-P-C4' energy: -9.909
flat angles P-C4'-P energy: -5.539
tors. eta vs tors. theta energy: -11.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -153.856058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.856058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.856058 (E_RNA)
where:
Base-Base interactions energy: -95.683
where: short stacking energy: -31.731
Base-Backbone interact. energy: -0.825
local terms energy: -57.347817
where:
bonds (distance) C4'-P energy: -12.333
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -11.207
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: 5
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -145.948843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.948843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.948843 (E_RNA)
where:
Base-Base interactions energy: -97.039
where: short stacking energy: -32.362
Base-Backbone interact. energy: -0.174
local terms energy: -48.736414
where:
bonds (distance) C4'-P energy: -10.909
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -8.316
flat angles P-C4'-P energy: -5.729
tors. eta vs tors. theta energy: -10.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -145.596823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.596823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.596823 (E_RNA)
where:
Base-Base interactions energy: -91.205
where: short stacking energy: -36.100
Base-Backbone interact. energy: -0.004
local terms energy: -54.387783
where:
bonds (distance) C4'-P energy: -10.176
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -6.442
tors. eta vs tors. theta energy: -11.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -128.895146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.895146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.895146 (E_RNA)
where:
Base-Base interactions energy: -82.504
where: short stacking energy: -33.028
Base-Backbone interact. energy: -0.126
local terms energy: -46.265410
where:
bonds (distance) C4'-P energy: -11.674
bonds (distance) P-C4' energy: -7.550
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -4.727
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: 119
Temperature: 1.150000
Total energy: -64.819298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.819298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.819298 (E_RNA)
where:
Base-Base interactions energy: -26.824
where: short stacking energy: -12.150
Base-Backbone interact. energy: -0.405
local terms energy: -37.590801
where:
bonds (distance) C4'-P energy: -11.294
bonds (distance) P-C4' energy: -8.807
flat angles C4'-P-C4' energy: -9.947
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: 0.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -68.015045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.015045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.015045 (E_RNA)
where:
Base-Base interactions energy: -29.279
where: short stacking energy: -21.568
Base-Backbone interact. energy: -0.138
local terms energy: -38.598164
where:
bonds (distance) C4'-P energy: -11.090
bonds (distance) P-C4' energy: -7.184
flat angles C4'-P-C4' energy: -6.579
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -3.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -69.363258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.363258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.363258 (E_RNA)
where:
Base-Base interactions energy: -29.713
where: short stacking energy: -13.133
Base-Backbone interact. energy: -0.039
local terms energy: -39.610964
where:
bonds (distance) C4'-P energy: -6.064
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -6.830
flat angles P-C4'-P energy: -7.206
tors. eta vs tors. theta energy: -6.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -71.518885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.518885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.518885 (E_RNA)
where:
Base-Base interactions energy: -32.728
where: short stacking energy: -26.478
Base-Backbone interact. energy: -0.172
local terms energy: -38.618603
where:
bonds (distance) C4'-P energy: -8.153
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -9.434
flat angles P-C4'-P energy: -5.767
tors. eta vs tors. theta energy: -2.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -69.100906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.100906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.100906 (E_RNA)
where:
Base-Base interactions energy: -32.137
where: short stacking energy: -20.665
Base-Backbone interact. energy: 0.926
local terms energy: -37.889571
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -11.120
flat angles C4'-P-C4' energy: -7.363
flat angles P-C4'-P energy: -7.265
tors. eta vs tors. theta energy: -1.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -148.621714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.621714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.621714 (E_RNA)
where:
Base-Base interactions energy: -93.077
where: short stacking energy: -29.762
Base-Backbone interact. energy: -0.026
local terms energy: -55.518262
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -13.152
flat angles P-C4'-P energy: -9.051
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: 2, replica: 10
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -146.641115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.641115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.641115 (E_RNA)
where:
Base-Base interactions energy: -99.320
where: short stacking energy: -29.663
Base-Backbone interact. energy: -0.595
local terms energy: -46.726041
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -11.365
flat angles C4'-P-C4' energy: -8.760
flat angles P-C4'-P energy: -3.616
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: 3, replica: 1
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -149.211058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.211058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.211058 (E_RNA)
where:
Base-Base interactions energy: -95.940
where: short stacking energy: -33.298
Base-Backbone interact. energy: -0.003
local terms energy: -53.268831
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -10.546
flat angles P-C4'-P energy: -6.796
tors. eta vs tors. theta energy: -10.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -128.262646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.262646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.262646 (E_RNA)
where:
Base-Base interactions energy: -77.448
where: short stacking energy: -31.896
Base-Backbone interact. energy: -2.351
local terms energy: -48.463919
where:
bonds (distance) C4'-P energy: -12.731
bonds (distance) P-C4' energy: -8.670
flat angles C4'-P-C4' energy: -9.336
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: -10.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -133.835198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.835198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.835198 (E_RNA)
where:
Base-Base interactions energy: -86.583
where: short stacking energy: -24.442
Base-Backbone interact. energy: -0.089
local terms energy: -47.163496
where:
bonds (distance) C4'-P energy: -11.885
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -10.401
flat angles P-C4'-P energy: -7.704
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: 6, replica: 3
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -79.139087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.139087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.139087 (E_RNA)
where:
Base-Base interactions energy: -36.730
where: short stacking energy: -25.160
Base-Backbone interact. energy: 1.320
local terms energy: -43.729059
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -11.707
flat angles C4'-P-C4' energy: -10.712
flat angles P-C4'-P energy: -5.838
tors. eta vs tors. theta energy: -2.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -71.779571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.779571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.779571 (E_RNA)
where:
Base-Base interactions energy: -28.818
where: short stacking energy: -22.756
Base-Backbone interact. energy: -0.005
local terms energy: -42.956299
where:
bonds (distance) C4'-P energy: -8.953
bonds (distance) P-C4' energy: -9.681
flat angles C4'-P-C4' energy: -9.075
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -6.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -70.288741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.288741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.288741 (E_RNA)
where:
Base-Base interactions energy: -33.388
where: short stacking energy: -12.972
Base-Backbone interact. energy: 0.108
local terms energy: -37.008509
where:
bonds (distance) C4'-P energy: -8.834
bonds (distance) P-C4' energy: -11.553
flat angles C4'-P-C4' energy: -9.392
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: 0.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -77.021510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.021510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.021510 (E_RNA)
where:
Base-Base interactions energy: -38.695
where: short stacking energy: -16.214
Base-Backbone interact. energy: -0.778
local terms energy: -37.547929
where:
bonds (distance) C4'-P energy: -9.691
bonds (distance) P-C4' energy: -7.871
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -7.038
tors. eta vs tors. theta energy: -0.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -60.940000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.940000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.940000 (E_RNA)
where:
Base-Base interactions energy: -25.407
where: short stacking energy: -14.679
Base-Backbone interact. energy: -0.028
local terms energy: -35.505952
where:
bonds (distance) C4'-P energy: -8.464
bonds (distance) P-C4' energy: -11.127
flat angles C4'-P-C4' energy: -5.149
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -0.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -143.702828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.702828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.702828 (E_RNA)
where:
Base-Base interactions energy: -87.227
where: short stacking energy: -43.342
Base-Backbone interact. energy: -0.011
local terms energy: -56.464466
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -13.097
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -7.137
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: 2, replica: 1
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -151.008988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.008988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.008988 (E_RNA)
where:
Base-Base interactions energy: -94.884
where: short stacking energy: -32.204
Base-Backbone interact. energy: -0.145
local terms energy: -55.980096
where:
bonds (distance) C4'-P energy: -10.697
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -11.327
flat angles P-C4'-P energy: -5.847
tors. eta vs tors. theta energy: -14.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -145.708910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.708910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.708910 (E_RNA)
where:
Base-Base interactions energy: -99.134
where: short stacking energy: -30.546
Base-Backbone interact. energy: -0.012
local terms energy: -46.563327
where:
bonds (distance) C4'-P energy: -10.855
bonds (distance) P-C4' energy: -11.827
flat angles C4'-P-C4' energy: -7.249
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -8.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -139.069955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.069955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.069955 (E_RNA)
where:
Base-Base interactions energy: -86.769
where: short stacking energy: -33.262
Base-Backbone interact. energy: -0.017
local terms energy: -52.284452
where:
bonds (distance) C4'-P energy: -8.185
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -11.951
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -10.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -131.720733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.720733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.720733 (E_RNA)
where:
Base-Base interactions energy: -80.237
where: short stacking energy: -37.220
Base-Backbone interact. energy: -0.064
local terms energy: -51.420497
where:
bonds (distance) C4'-P energy: -10.267
bonds (distance) P-C4' energy: -10.132
flat angles C4'-P-C4' energy: -9.838
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: -13.208
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: 121
Temperature: 1.150000
Total energy: -85.906744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.906744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.906744 (E_RNA)
where:
Base-Base interactions energy: -45.633
where: short stacking energy: -26.482
Base-Backbone interact. energy: -0.394
local terms energy: -39.879678
where:
bonds (distance) C4'-P energy: -10.030
bonds (distance) P-C4' energy: -9.510
flat angles C4'-P-C4' energy: -11.093
flat angles P-C4'-P energy: -5.885
tors. eta vs tors. theta energy: -3.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -62.556597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.556597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.556597 (E_RNA)
where:
Base-Base interactions energy: -20.072
where: short stacking energy: -18.911
Base-Backbone interact. energy: -0.064
local terms energy: -42.420411
where:
bonds (distance) C4'-P energy: -7.565
bonds (distance) P-C4' energy: -11.467
flat angles C4'-P-C4' energy: -9.151
flat angles P-C4'-P energy: -9.362
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: 8, replica: 8
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -84.076232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.076232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.076232 (E_RNA)
where:
Base-Base interactions energy: -47.964
where: short stacking energy: -18.645
Base-Backbone interact. energy: -0.548
local terms energy: -35.564950
where:
bonds (distance) C4'-P energy: -8.417
bonds (distance) P-C4' energy: -8.676
flat angles C4'-P-C4' energy: -11.831
flat angles P-C4'-P energy: -6.375
tors. eta vs tors. theta energy: -0.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -60.566451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.566451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.566451 (E_RNA)
where:
Base-Base interactions energy: -24.327
where: short stacking energy: -18.190
Base-Backbone interact. energy: -0.059
local terms energy: -36.180556
where:
bonds (distance) C4'-P energy: -9.833
bonds (distance) P-C4' energy: -7.332
flat angles C4'-P-C4' energy: -8.654
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -1.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -55.901964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.901964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.901964 (E_RNA)
where:
Base-Base interactions energy: -20.091
where: short stacking energy: -12.195
Base-Backbone interact. energy: -0.357
local terms energy: -35.454037
where:
bonds (distance) C4'-P energy: -8.263
bonds (distance) P-C4' energy: -11.795
flat angles C4'-P-C4' energy: -8.170
flat angles P-C4'-P energy: -6.240
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: 1, replica: 1
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -152.025776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.025776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.025776 (E_RNA)
where:
Base-Base interactions energy: -97.270
where: short stacking energy: -36.747
Base-Backbone interact. energy: -0.272
local terms energy: -54.483980
where:
bonds (distance) C4'-P energy: -9.531
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -11.803
flat angles P-C4'-P energy: -6.735
tors. eta vs tors. theta energy: -14.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -150.177312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.177312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.177312 (E_RNA)
where:
Base-Base interactions energy: -100.993
where: short stacking energy: -37.903
Base-Backbone interact. energy: -0.653
local terms energy: -48.531323
where:
bonds (distance) C4'-P energy: -8.417
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -8.083
flat angles P-C4'-P energy: -5.625
tors. eta vs tors. theta energy: -12.917
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: 122
Temperature: 1.000000
Total energy: -140.785986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.785986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.785986 (E_RNA)
where:
Base-Base interactions energy: -84.675
where: short stacking energy: -41.241
Base-Backbone interact. energy: -0.152
local terms energy: -55.958786
where:
bonds (distance) C4'-P energy: -12.589
bonds (distance) P-C4' energy: -8.726
flat angles C4'-P-C4' energy: -10.999
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -15.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -143.147514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.147514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.147514 (E_RNA)
where:
Base-Base interactions energy: -93.845
where: short stacking energy: -38.506
Base-Backbone interact. energy: -0.042
local terms energy: -49.260608
where:
bonds (distance) C4'-P energy: -9.240
bonds (distance) P-C4' energy: -8.257
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -11.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -123.577283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.577283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.577283 (E_RNA)
where:
Base-Base interactions energy: -75.431
where: short stacking energy: -33.774
Base-Backbone interact. energy: -0.053
local terms energy: -48.093426
where:
bonds (distance) C4'-P energy: -11.049
bonds (distance) P-C4' energy: -11.074
flat angles C4'-P-C4' energy: -11.605
flat angles P-C4'-P energy: -5.083
tors. eta vs tors. theta energy: -9.282
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: 9
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -77.580123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.580123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.580123 (E_RNA)
where:
Base-Base interactions energy: -39.749
where: short stacking energy: -25.198
Base-Backbone interact. energy: 2.335
local terms energy: -40.165423
where:
bonds (distance) C4'-P energy: -10.678
bonds (distance) P-C4' energy: -10.116
flat angles C4'-P-C4' energy: -8.773
flat angles P-C4'-P energy: -5.597
tors. eta vs tors. theta energy: -5.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -68.618791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.618791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.618791 (E_RNA)
where:
Base-Base interactions energy: -22.044
where: short stacking energy: -22.044
Base-Backbone interact. energy: -0.105
local terms energy: -46.469487
where:
bonds (distance) C4'-P energy: -9.233
bonds (distance) P-C4' energy: -11.098
flat angles C4'-P-C4' energy: -9.864
flat angles P-C4'-P energy: -6.959
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: 8, replica: 3
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -58.680812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.680812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.680812 (E_RNA)
where:
Base-Base interactions energy: -23.765
where: short stacking energy: -18.243
Base-Backbone interact. energy: -0.022
local terms energy: -34.893815
where:
bonds (distance) C4'-P energy: -6.790
bonds (distance) P-C4' energy: -10.703
flat angles C4'-P-C4' energy: -11.966
flat angles P-C4'-P energy: -5.890
tors. eta vs tors. theta energy: 0.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -59.191812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.191812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.191812 (E_RNA)
where:
Base-Base interactions energy: -22.396
where: short stacking energy: -3.125
Base-Backbone interact. energy: -0.764
local terms energy: -36.031653
where:
bonds (distance) C4'-P energy: -10.464
bonds (distance) P-C4' energy: -8.349
flat angles C4'-P-C4' energy: -11.973
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: 3.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -62.073575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.073575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.073575 (E_RNA)
where:
Base-Base interactions energy: -23.173
where: short stacking energy: -16.872
Base-Backbone interact. energy: -0.007
local terms energy: -38.893464
where:
bonds (distance) C4'-P energy: -8.479
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -8.963
flat angles P-C4'-P energy: -4.781
tors. eta vs tors. theta energy: -3.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -142.200972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.200972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.200972 (E_RNA)
where:
Base-Base interactions energy: -89.327
where: short stacking energy: -33.283
Base-Backbone interact. energy: -0.099
local terms energy: -52.774638
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -10.151
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -8.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -147.280185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.280185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.280185 (E_RNA)
where:
Base-Base interactions energy: -91.174
where: short stacking energy: -42.228
Base-Backbone interact. energy: -0.069
local terms energy: -56.037241
where:
bonds (distance) C4'-P energy: -13.794
bonds (distance) P-C4' energy: -11.676
flat angles C4'-P-C4' energy: -13.711
flat angles P-C4'-P energy: -3.296
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: 3, replica: 4
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -149.684864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.684864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.684864 (E_RNA)
where:
Base-Base interactions energy: -104.922
where: short stacking energy: -32.821
Base-Backbone interact. energy: -0.010
local terms energy: -44.752072
where:
bonds (distance) C4'-P energy: -10.465
bonds (distance) P-C4' energy: -10.581
flat angles C4'-P-C4' energy: -7.431
flat angles P-C4'-P energy: -6.617
tors. eta vs tors. theta energy: -9.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -131.644774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.644774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.644774 (E_RNA)
where:
Base-Base interactions energy: -81.813
where: short stacking energy: -28.011
Base-Backbone interact. energy: -0.063
local terms energy: -49.768924
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -12.150
flat angles C4'-P-C4' energy: -11.080
flat angles P-C4'-P energy: -6.241
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: 5, replica: 10
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -123.493717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.493717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.493717 (E_RNA)
where:
Base-Base interactions energy: -68.616
where: short stacking energy: -35.274
Base-Backbone interact. energy: -0.095
local terms energy: -54.782622
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -11.007
flat angles C4'-P-C4' energy: -10.236
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -13.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -94.142644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.142644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.142644 (E_RNA)
where:
Base-Base interactions energy: -50.317
where: short stacking energy: -25.096
Base-Backbone interact. energy: -0.022
local terms energy: -43.803560
where:
bonds (distance) C4'-P energy: -8.627
bonds (distance) P-C4' energy: -11.994
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -4.034
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: 7, replica: 9
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -61.435957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.435957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.435957 (E_RNA)
where:
Base-Base interactions energy: -22.662
where: short stacking energy: -11.251
Base-Backbone interact. energy: -0.425
local terms energy: -38.349239
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -9.263
flat angles P-C4'-P energy: -5.450
tors. eta vs tors. theta energy: 1.889
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: 123
Temperature: 1.250000
Total energy: -58.191658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.191658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.191658 (E_RNA)
where:
Base-Base interactions energy: -15.909
where: short stacking energy: -12.937
Base-Backbone interact. energy: -0.202
local terms energy: -42.080842
where:
bonds (distance) C4'-P energy: -8.433
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -11.356
flat angles P-C4'-P energy: -6.155
tors. eta vs tors. theta energy: -2.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -57.366873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.366873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.366873 (E_RNA)
where:
Base-Base interactions energy: -28.716
where: short stacking energy: -10.413
Base-Backbone interact. energy: -0.157
local terms energy: -28.493964
where:
bonds (distance) C4'-P energy: -8.318
bonds (distance) P-C4' energy: -9.305
flat angles C4'-P-C4' energy: -5.672
flat angles P-C4'-P energy: -4.187
tors. eta vs tors. theta energy: -1.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -54.013276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.013276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.013276 (E_RNA)
where:
Base-Base interactions energy: -13.092
where: short stacking energy: -13.092
Base-Backbone interact. energy: -0.162
local terms energy: -40.759468
where:
bonds (distance) C4'-P energy: -12.788
bonds (distance) P-C4' energy: -11.383
flat angles C4'-P-C4' energy: -6.128
flat angles P-C4'-P energy: -9.421
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: 1, replica: 6
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -152.675907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.675907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.675907 (E_RNA)
where:
Base-Base interactions energy: -95.491
where: short stacking energy: -42.265
Base-Backbone interact. energy: -0.030
local terms energy: -57.154445
where:
bonds (distance) C4'-P energy: -10.308
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -6.153
tors. eta vs tors. theta energy: -15.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -134.460886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.460886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.460886 (E_RNA)
where:
Base-Base interactions energy: -76.352
where: short stacking energy: -29.017
Base-Backbone interact. energy: -0.298
local terms energy: -57.810934
where:
bonds (distance) C4'-P energy: -11.257
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -8.273
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: 3, replica: 4
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -153.856492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.856492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.856492 (E_RNA)
where:
Base-Base interactions energy: -103.913
where: short stacking energy: -40.386
Base-Backbone interact. energy: -0.001
local terms energy: -49.943291
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -11.252
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -4.975
tors. eta vs tors. theta energy: -8.473
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: 5
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -146.611248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.611248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.611248 (E_RNA)
where:
Base-Base interactions energy: -89.658
where: short stacking energy: -36.441
Base-Backbone interact. energy: -0.020
local terms energy: -56.933538
where:
bonds (distance) C4'-P energy: -11.746
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -11.295
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: -11.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -120.645830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.645830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.645830 (E_RNA)
where:
Base-Base interactions energy: -73.509
where: short stacking energy: -28.006
Base-Backbone interact. energy: -0.056
local terms energy: -47.081509
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -9.930
flat angles C4'-P-C4' energy: -9.309
flat angles P-C4'-P energy: -4.343
tors. eta vs tors. theta energy: -11.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -77.037029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.037029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.037029 (E_RNA)
where:
Base-Base interactions energy: -34.467
where: short stacking energy: -27.451
Base-Backbone interact. energy: -0.072
local terms energy: -42.497933
where:
bonds (distance) C4'-P energy: -7.969
bonds (distance) P-C4' energy: -9.317
flat angles C4'-P-C4' energy: -12.483
flat angles P-C4'-P energy: -5.696
tors. eta vs tors. theta energy: -7.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -66.849074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.849074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.849074 (E_RNA)
where:
Base-Base interactions energy: -21.587
where: short stacking energy: -10.841
Base-Backbone interact. energy: -0.074
local terms energy: -45.188015
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -9.854
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -0.716
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: 2
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -85.167270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.167270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.167270 (E_RNA)
where:
Base-Base interactions energy: -45.937
where: short stacking energy: -27.070
Base-Backbone interact. energy: -0.094
local terms energy: -39.135808
where:
bonds (distance) C4'-P energy: -9.029
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -10.684
flat angles P-C4'-P energy: -2.692
tors. eta vs tors. theta energy: -3.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -61.127772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.127772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.127772 (E_RNA)
where:
Base-Base interactions energy: -18.190
where: short stacking energy: -18.190
Base-Backbone interact. energy: -0.051
local terms energy: -42.886995
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -10.458
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: -0.152
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: 3
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -56.456513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.456513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.456513 (E_RNA)
where:
Base-Base interactions energy: -13.251
where: short stacking energy: -13.214
Base-Backbone interact. energy: 1.158
local terms energy: -44.362781
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -12.861
flat angles C4'-P-C4' energy: -9.334
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -0.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -151.555929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.555929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.555929 (E_RNA)
where:
Base-Base interactions energy: -97.907
where: short stacking energy: -42.347
Base-Backbone interact. energy: -0.044
local terms energy: -53.605287
where:
bonds (distance) C4'-P energy: -10.077
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -12.420
flat angles P-C4'-P energy: -4.356
tors. eta vs tors. theta energy: -14.114
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: 4
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -156.472586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.472586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.472586 (E_RNA)
where:
Base-Base interactions energy: -102.691
where: short stacking energy: -40.219
Base-Backbone interact. energy: -0.048
local terms energy: -53.733645
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -5.350
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -12.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -135.628227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.628227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.628227 (E_RNA)
where:
Base-Base interactions energy: -82.568
where: short stacking energy: -36.990
Base-Backbone interact. energy: -0.107
local terms energy: -52.952629
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -11.598
flat angles P-C4'-P energy: -6.651
tors. eta vs tors. theta energy: -10.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -146.370203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.370203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.370203 (E_RNA)
where:
Base-Base interactions energy: -97.803
where: short stacking energy: -36.480
Base-Backbone interact. energy: -0.034
local terms energy: -48.532827
where:
bonds (distance) C4'-P energy: -12.689
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -3.088
tors. eta vs tors. theta energy: -9.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -131.222271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.222271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.222271 (E_RNA)
where:
Base-Base interactions energy: -81.830
where: short stacking energy: -37.427
Base-Backbone interact. energy: -0.141
local terms energy: -49.250596
where:
bonds (distance) C4'-P energy: -10.450
bonds (distance) P-C4' energy: -12.446
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -5.866
tors. eta vs tors. theta energy: -7.731
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: 125
Temperature: 1.150000
Total energy: -58.519480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.519480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.519480 (E_RNA)
where:
Base-Base interactions energy: -18.803
where: short stacking energy: -11.908
Base-Backbone interact. energy: 0.421
local terms energy: -40.137473
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -7.691
flat angles C4'-P-C4' energy: -9.965
flat angles P-C4'-P energy: -6.425
tors. eta vs tors. theta energy: -3.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -69.840394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.840394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.840394 (E_RNA)
where:
Base-Base interactions energy: -25.170
where: short stacking energy: -18.976
Base-Backbone interact. energy: -0.015
local terms energy: -44.655762
where:
bonds (distance) C4'-P energy: -7.138
bonds (distance) P-C4' energy: -12.230
flat angles C4'-P-C4' energy: -9.338
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -7.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -65.635642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.635642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.635642 (E_RNA)
where:
Base-Base interactions energy: -24.314
where: short stacking energy: -12.442
Base-Backbone interact. energy: -0.269
local terms energy: -41.052368
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -9.218
flat angles C4'-P-C4' energy: -5.398
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -3.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -59.018344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.018344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.018344 (E_RNA)
where:
Base-Base interactions energy: -25.425
where: short stacking energy: -10.465
Base-Backbone interact. energy: -1.104
local terms energy: -32.489234
where:
bonds (distance) C4'-P energy: -7.684
bonds (distance) P-C4' energy: -8.668
flat angles C4'-P-C4' energy: -11.489
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: 5.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -64.824474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.824474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.824474 (E_RNA)
where:
Base-Base interactions energy: -27.921
where: short stacking energy: -19.139
Base-Backbone interact. energy: -0.116
local terms energy: -36.787503
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -10.126
flat angles C4'-P-C4' energy: -10.960
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: 2.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -156.207787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.207787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.207787 (E_RNA)
where:
Base-Base interactions energy: -103.744
where: short stacking energy: -42.385
Base-Backbone interact. energy: -0.002
local terms energy: -52.461610
where:
bonds (distance) C4'-P energy: -12.689
bonds (distance) P-C4' energy: -11.225
flat angles C4'-P-C4' energy: -11.080
flat angles P-C4'-P energy: -6.089
tors. eta vs tors. theta energy: -11.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -141.884316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.884316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.884316 (E_RNA)
where:
Base-Base interactions energy: -94.786
where: short stacking energy: -21.824
Base-Backbone interact. energy: -0.085
local terms energy: -47.013248
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -8.772
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: -4.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -142.385722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.385722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.385722 (E_RNA)
where:
Base-Base interactions energy: -89.983
where: short stacking energy: -38.319
Base-Backbone interact. energy: 0.738
local terms energy: -53.141305
where:
bonds (distance) C4'-P energy: -11.523
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -3.406
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: 4, replica: 5
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -125.618743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.618743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.618743 (E_RNA)
where:
Base-Base interactions energy: -79.228
where: short stacking energy: -27.209
Base-Backbone interact. energy: -0.610
local terms energy: -45.780033
where:
bonds (distance) C4'-P energy: -11.542
bonds (distance) P-C4' energy: -9.750
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -4.924
tors. eta vs tors. theta energy: -6.961
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: 10
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -130.667120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.667120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.667120 (E_RNA)
where:
Base-Base interactions energy: -76.513
where: short stacking energy: -32.040
Base-Backbone interact. energy: -1.038
local terms energy: -53.116022
where:
bonds (distance) C4'-P energy: -10.900
bonds (distance) P-C4' energy: -10.439
flat angles C4'-P-C4' energy: -10.995
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -11.112
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: 9
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -68.572779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.572779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.572779 (E_RNA)
where:
Base-Base interactions energy: -25.317
where: short stacking energy: -10.257
Base-Backbone interact. energy: 0.294
local terms energy: -43.549546
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -9.187
flat angles C4'-P-C4' energy: -11.394
flat angles P-C4'-P energy: -6.743
tors. eta vs tors. theta energy: -3.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -59.735110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.735110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.735110 (E_RNA)
where:
Base-Base interactions energy: -20.002
where: short stacking energy: -16.173
Base-Backbone interact. energy: -0.769
local terms energy: -38.964535
where:
bonds (distance) C4'-P energy: -6.620
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -8.673
flat angles P-C4'-P energy: -8.974
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: 8, replica: 8
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -71.957627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.957627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.957627 (E_RNA)
where:
Base-Base interactions energy: -28.707
where: short stacking energy: -17.882
Base-Backbone interact. energy: -0.032
local terms energy: -43.218787
where:
bonds (distance) C4'-P energy: -9.526
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -8.725
flat angles P-C4'-P energy: -4.681
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: 9, replica: 3
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -58.487924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.487924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.487924 (E_RNA)
where:
Base-Base interactions energy: -21.213
where: short stacking energy: -17.028
Base-Backbone interact. energy: 2.080
local terms energy: -39.355115
where:
bonds (distance) C4'-P energy: -8.972
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -9.161
flat angles P-C4'-P energy: -6.602
tors. eta vs tors. theta energy: -0.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -65.475374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.475374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.475374 (E_RNA)
where:
Base-Base interactions energy: -34.495
where: short stacking energy: -11.018
Base-Backbone interact. energy: -0.185
local terms energy: -30.794949
where:
bonds (distance) C4'-P energy: -6.143
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -9.853
flat angles P-C4'-P energy: -4.422
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: 1, replica: 4
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -159.095609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.095609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.095609 (E_RNA)
where:
Base-Base interactions energy: -107.740
where: short stacking energy: -42.991
Base-Backbone interact. energy: -0.004
local terms energy: -51.351509
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -7.647
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -11.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -161.020921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.020921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.020921 (E_RNA)
where:
Base-Base interactions energy: -107.177
where: short stacking energy: -42.614
Base-Backbone interact. energy: -0.016
local terms energy: -53.827774
where:
bonds (distance) C4'-P energy: -10.759
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -12.419
flat angles P-C4'-P energy: -5.707
tors. eta vs tors. theta energy: -12.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -145.983813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.983813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.983813 (E_RNA)
where:
Base-Base interactions energy: -90.541
where: short stacking energy: -38.806
Base-Backbone interact. energy: -0.002
local terms energy: -55.440610
where:
bonds (distance) C4'-P energy: -10.797
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -11.387
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: 10
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -128.978966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.978966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.978966 (E_RNA)
where:
Base-Base interactions energy: -78.955
where: short stacking energy: -29.950
Base-Backbone interact. energy: -0.046
local terms energy: -49.978007
where:
bonds (distance) C4'-P energy: -11.286
bonds (distance) P-C4' energy: -12.969
flat angles C4'-P-C4' energy: -7.942
flat angles P-C4'-P energy: -8.720
tors. eta vs tors. theta energy: -9.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -133.354500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.354500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.354500 (E_RNA)
where:
Base-Base interactions energy: -95.497
where: short stacking energy: -28.618
Base-Backbone interact. energy: -0.133
local terms energy: -37.724760
where:
bonds (distance) C4'-P energy: -8.232
bonds (distance) P-C4' energy: -8.161
flat angles C4'-P-C4' energy: -5.341
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: -7.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -66.714204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.714204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.714204 (E_RNA)
where:
Base-Base interactions energy: -20.885
where: short stacking energy: -16.940
Base-Backbone interact. energy: -0.002
local terms energy: -45.827397
where:
bonds (distance) C4'-P energy: -10.255
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -10.493
flat angles P-C4'-P energy: -6.077
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: 7, replica: 9
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -75.712778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.712778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.712778 (E_RNA)
where:
Base-Base interactions energy: -35.673
where: short stacking energy: -17.789
Base-Backbone interact. energy: -0.061
local terms energy: -39.978544
where:
bonds (distance) C4'-P energy: -6.951
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -9.464
flat angles P-C4'-P energy: -6.150
tors. eta vs tors. theta energy: -3.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -66.936979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.936979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.936979 (E_RNA)
where:
Base-Base interactions energy: -26.027
where: short stacking energy: -25.238
Base-Backbone interact. energy: -0.880
local terms energy: -40.029688
where:
bonds (distance) C4'-P energy: -9.656
bonds (distance) P-C4' energy: -10.346
flat angles C4'-P-C4' energy: -5.891
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -5.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -58.536926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.536926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.536926 (E_RNA)
where:
Base-Base interactions energy: -20.060
where: short stacking energy: -15.558
Base-Backbone interact. energy: -0.008
local terms energy: -38.469036
where:
bonds (distance) C4'-P energy: -11.658
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -10.853
flat angles P-C4'-P energy: -3.514
tors. eta vs tors. theta energy: -0.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -59.334165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.334165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.334165 (E_RNA)
where:
Base-Base interactions energy: -29.286
where: short stacking energy: -16.933
Base-Backbone interact. energy: -0.021
local terms energy: -30.027879
where:
bonds (distance) C4'-P energy: -6.471
bonds (distance) P-C4' energy: -6.266
flat angles C4'-P-C4' energy: -7.171
flat angles P-C4'-P energy: -7.189
tors. eta vs tors. theta energy: -2.931
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: 1, replica: 4
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -152.286846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.286846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.286846 (E_RNA)
where:
Base-Base interactions energy: -98.399
where: short stacking energy: -38.461
Base-Backbone interact. energy: -0.005
local terms energy: -53.883394
where:
bonds (distance) C4'-P energy: -12.063
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -10.626
flat angles P-C4'-P energy: -8.007
tors. eta vs tors. theta energy: -10.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -150.057216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.057216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.057216 (E_RNA)
where:
Base-Base interactions energy: -95.721
where: short stacking energy: -38.877
Base-Backbone interact. energy: -0.094
local terms energy: -54.243057
where:
bonds (distance) C4'-P energy: -13.554
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -0.870
tors. eta vs tors. theta energy: -14.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -135.226503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.226503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.226503 (E_RNA)
where:
Base-Base interactions energy: -85.345
where: short stacking energy: -41.937
Base-Backbone interact. energy: -0.092
local terms energy: -49.789787
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -8.964
flat angles C4'-P-C4' energy: -7.130
flat angles P-C4'-P energy: -6.140
tors. eta vs tors. theta energy: -14.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -137.928840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.928840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.928840 (E_RNA)
where:
Base-Base interactions energy: -88.031
where: short stacking energy: -41.574
Base-Backbone interact. energy: -0.102
local terms energy: -49.796131
where:
bonds (distance) C4'-P energy: -7.040
bonds (distance) P-C4' energy: -11.533
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -6.450
tors. eta vs tors. theta energy: -11.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -117.434929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.434929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.434929 (E_RNA)
where:
Base-Base interactions energy: -74.599
where: short stacking energy: -19.925
Base-Backbone interact. energy: 0.698
local terms energy: -43.533951
where:
bonds (distance) C4'-P energy: -11.861
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -7.729
flat angles P-C4'-P energy: -6.005
tors. eta vs tors. theta energy: -4.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -72.271014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.271014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.271014 (E_RNA)
where:
Base-Base interactions energy: -22.994
where: short stacking energy: -17.147
Base-Backbone interact. energy: -0.204
local terms energy: -49.073231
where:
bonds (distance) C4'-P energy: -11.703
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -7.645
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -5.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -64.149729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.149729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.149729 (E_RNA)
where:
Base-Base interactions energy: -20.628
where: short stacking energy: -17.956
Base-Backbone interact. energy: -0.064
local terms energy: -43.457227
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -5.597
flat angles P-C4'-P energy: -6.781
tors. eta vs tors. theta energy: -3.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -66.982568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.982568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.982568 (E_RNA)
where:
Base-Base interactions energy: -26.725
where: short stacking energy: -13.330
Base-Backbone interact. energy: -0.185
local terms energy: -40.072311
where:
bonds (distance) C4'-P energy: -11.443
bonds (distance) P-C4' energy: -14.245
flat angles C4'-P-C4' energy: -10.801
flat angles P-C4'-P energy: -6.478
tors. eta vs tors. theta energy: 2.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -68.219064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.219064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.219064 (E_RNA)
where:
Base-Base interactions energy: -29.678
where: short stacking energy: -15.653
Base-Backbone interact. energy: -1.177
local terms energy: -37.363617
where:
bonds (distance) C4'-P energy: -9.012
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -10.099
flat angles P-C4'-P energy: -5.542
tors. eta vs tors. theta energy: -1.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -55.181939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.181939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.181939 (E_RNA)
where:
Base-Base interactions energy: -27.845
where: short stacking energy: -14.403
Base-Backbone interact. energy: 0.702
local terms energy: -28.038293
where:
bonds (distance) C4'-P energy: -6.402
bonds (distance) P-C4' energy: -10.593
flat angles C4'-P-C4' energy: -5.098
flat angles P-C4'-P energy: -4.363
tors. eta vs tors. theta energy: -1.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -146.670187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.670187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.670187 (E_RNA)
where:
Base-Base interactions energy: -95.712
where: short stacking energy: -30.144
Base-Backbone interact. energy: -0.115
local terms energy: -50.843348
where:
bonds (distance) C4'-P energy: -8.533
bonds (distance) P-C4' energy: -14.153
flat angles C4'-P-C4' energy: -10.232
flat angles P-C4'-P energy: -8.704
tors. eta vs tors. theta energy: -9.222
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: 10
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -150.701901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.701901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.701901 (E_RNA)
where:
Base-Base interactions energy: -104.222
where: short stacking energy: -33.660
Base-Backbone interact. energy: -0.013
local terms energy: -46.467487
where:
bonds (distance) C4'-P energy: -13.198
bonds (distance) P-C4' energy: -11.264
flat angles C4'-P-C4' energy: -9.350
flat angles P-C4'-P energy: -2.096
tors. eta vs tors. theta energy: -10.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -154.665841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.665841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.665841 (E_RNA)
where:
Base-Base interactions energy: -100.083
where: short stacking energy: -36.210
Base-Backbone interact. energy: -0.324
local terms energy: -54.258070
where:
bonds (distance) C4'-P energy: -13.086
bonds (distance) P-C4' energy: -11.810
flat angles C4'-P-C4' energy: -10.211
flat angles P-C4'-P energy: -5.175
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: 4, replica: 5
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -131.830574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.830574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.830574 (E_RNA)
where:
Base-Base interactions energy: -78.373
where: short stacking energy: -32.069
Base-Backbone interact. energy: -0.040
local terms energy: -53.417710
where:
bonds (distance) C4'-P energy: -13.430
bonds (distance) P-C4' energy: -10.151
flat angles C4'-P-C4' energy: -12.284
flat angles P-C4'-P energy: -7.674
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: 5, replica: 6
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -130.273557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.273557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.273557 (E_RNA)
where:
Base-Base interactions energy: -81.846
where: short stacking energy: -32.665
Base-Backbone interact. energy: -0.124
local terms energy: -48.302778
where:
bonds (distance) C4'-P energy: -10.483
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -4.271
tors. eta vs tors. theta energy: -7.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -82.490544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.490544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.490544 (E_RNA)
where:
Base-Base interactions energy: -33.651
where: short stacking energy: -23.592
Base-Backbone interact. energy: -0.183
local terms energy: -48.655734
where:
bonds (distance) C4'-P energy: -12.221
bonds (distance) P-C4' energy: -9.045
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -5.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -72.824907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.824907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.824907 (E_RNA)
where:
Base-Base interactions energy: -24.249
where: short stacking energy: -24.249
Base-Backbone interact. energy: -0.043
local terms energy: -48.532389
where:
bonds (distance) C4'-P energy: -11.637
bonds (distance) P-C4' energy: -12.072
flat angles C4'-P-C4' energy: -9.847
flat angles P-C4'-P energy: -5.901
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: 8, replica: 2
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -76.819430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.819430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.819430 (E_RNA)
where:
Base-Base interactions energy: -36.197
where: short stacking energy: -20.621
Base-Backbone interact. energy: -0.230
local terms energy: -40.392236
where:
bonds (distance) C4'-P energy: -10.912
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -9.054
flat angles P-C4'-P energy: -8.060
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: 9
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -61.039106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.039106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.039106 (E_RNA)
where:
Base-Base interactions energy: -21.684
where: short stacking energy: -11.847
Base-Backbone interact. energy: -0.570
local terms energy: -38.784283
where:
bonds (distance) C4'-P energy: -10.172
bonds (distance) P-C4' energy: -11.115
flat angles C4'-P-C4' energy: -8.450
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -0.156
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: 8
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -54.101673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.101673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.101673 (E_RNA)
where:
Base-Base interactions energy: -12.315
where: short stacking energy: -11.734
Base-Backbone interact. energy: -0.099
local terms energy: -41.687818
where:
bonds (distance) C4'-P energy: -11.985
bonds (distance) P-C4' energy: -8.084
flat angles C4'-P-C4' energy: -8.636
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -5.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -155.149418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.149418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.149418 (E_RNA)
where:
Base-Base interactions energy: -99.250
where: short stacking energy: -36.462
Base-Backbone interact. energy: -0.370
local terms energy: -55.529076
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -10.139
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -10.470
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: 4
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -146.756166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.756166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.756166 (E_RNA)
where:
Base-Base interactions energy: -89.820
where: short stacking energy: -45.105
Base-Backbone interact. energy: -0.004
local terms energy: -56.932416
where:
bonds (distance) C4'-P energy: -11.783
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -10.501
flat angles P-C4'-P energy: -6.869
tors. eta vs tors. theta energy: -15.240
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: 130
Temperature: 1.000000
Total energy: -137.660204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.660204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.660204 (E_RNA)
where:
Base-Base interactions energy: -89.277
where: short stacking energy: -28.368
Base-Backbone interact. energy: -0.152
local terms energy: -48.230844
where:
bonds (distance) C4'-P energy: -10.503
bonds (distance) P-C4' energy: -12.262
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -6.378
tors. eta vs tors. theta energy: -6.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -143.984367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.984367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.984367 (E_RNA)
where:
Base-Base interactions energy: -91.354
where: short stacking energy: -31.509
Base-Backbone interact. energy: -0.096
local terms energy: -52.534241
where:
bonds (distance) C4'-P energy: -12.987
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -10.893
flat angles P-C4'-P energy: -6.489
tors. eta vs tors. theta energy: -8.837
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: 6
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -131.883695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.883695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.883695 (E_RNA)
where:
Base-Base interactions energy: -84.078
where: short stacking energy: -32.545
Base-Backbone interact. energy: 0.026
local terms energy: -47.832174
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -10.379
flat angles C4'-P-C4' energy: -10.514
flat angles P-C4'-P energy: -3.492
tors. eta vs tors. theta energy: -11.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -67.262496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.262496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.262496 (E_RNA)
where:
Base-Base interactions energy: -23.519
where: short stacking energy: -15.236
Base-Backbone interact. energy: -0.197
local terms energy: -43.546786
where:
bonds (distance) C4'-P energy: -11.202
bonds (distance) P-C4' energy: -11.804
flat angles C4'-P-C4' energy: -8.721
flat angles P-C4'-P energy: -8.038
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: 7, replica: 2
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -101.473673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.473673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.473673 (E_RNA)
where:
Base-Base interactions energy: -56.838
where: short stacking energy: -18.690
Base-Backbone interact. energy: -2.014
local terms energy: -42.622372
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -11.924
flat angles P-C4'-P energy: -3.005
tors. eta vs tors. theta energy: -2.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -63.040907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.040907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.040907 (E_RNA)
where:
Base-Base interactions energy: -27.169
where: short stacking energy: -17.823
Base-Backbone interact. energy: -0.007
local terms energy: -35.864102
where:
bonds (distance) C4'-P energy: -7.569
bonds (distance) P-C4' energy: -11.606
flat angles C4'-P-C4' energy: -10.307
flat angles P-C4'-P energy: -7.690
tors. eta vs tors. theta energy: 1.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -62.445728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.445728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.445728 (E_RNA)
where:
Base-Base interactions energy: -27.546
where: short stacking energy: -20.428
Base-Backbone interact. energy: -0.042
local terms energy: -34.856850
where:
bonds (distance) C4'-P energy: -4.136
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -8.224
flat angles P-C4'-P energy: -7.417
tors. eta vs tors. theta energy: -2.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -51.023282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.023282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.023282 (E_RNA)
where:
Base-Base interactions energy: -17.455
where: short stacking energy: -3.435
Base-Backbone interact. energy: -0.090
local terms energy: -33.478357
where:
bonds (distance) C4'-P energy: -9.783
bonds (distance) P-C4' energy: -13.368
flat angles C4'-P-C4' energy: -9.162
flat angles P-C4'-P energy: -2.439
tors. eta vs tors. theta energy: 1.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -151.869412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.869412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.869412 (E_RNA)
where:
Base-Base interactions energy: -98.570
where: short stacking energy: -37.469
Base-Backbone interact. energy: -0.015
local terms energy: -53.283742
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -8.720
flat angles P-C4'-P energy: -7.011
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: 2, replica: 5
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -139.460008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.460008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.460008 (E_RNA)
where:
Base-Base interactions energy: -83.253
where: short stacking energy: -34.232
Base-Backbone interact. energy: -0.122
local terms energy: -56.084559
where:
bonds (distance) C4'-P energy: -10.785
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -5.860
flat angles P-C4'-P energy: -11.838
tors. eta vs tors. theta energy: -15.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -144.268382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.268382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.268382 (E_RNA)
where:
Base-Base interactions energy: -91.236
where: short stacking energy: -39.617
Base-Backbone interact. energy: -0.241
local terms energy: -52.791827
where:
bonds (distance) C4'-P energy: -11.239
bonds (distance) P-C4' energy: -10.952
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -7.265
tors. eta vs tors. theta energy: -10.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -148.120316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.120316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.120316 (E_RNA)
where:
Base-Base interactions energy: -96.007
where: short stacking energy: -31.397
Base-Backbone interact. energy: -0.116
local terms energy: -51.997691
where:
bonds (distance) C4'-P energy: -9.529
bonds (distance) P-C4' energy: -12.513
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -7.302
tors. eta vs tors. theta energy: -9.561
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: 1
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -140.421151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.421151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.421151 (E_RNA)
where:
Base-Base interactions energy: -92.158
where: short stacking energy: -35.608
Base-Backbone interact. energy: -0.257
local terms energy: -48.006828
where:
bonds (distance) C4'-P energy: -7.816
bonds (distance) P-C4' energy: -11.387
flat angles C4'-P-C4' energy: -11.261
flat angles P-C4'-P energy: -7.565
tors. eta vs tors. theta energy: -9.978
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: 6, replica: 3
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -72.870837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.870837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.870837 (E_RNA)
where:
Base-Base interactions energy: -24.131
where: short stacking energy: -24.131
Base-Backbone interact. energy: -0.012
local terms energy: -48.728681
where:
bonds (distance) C4'-P energy: -9.883
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -5.008
tors. eta vs tors. theta energy: -6.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -70.464534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.464534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.464534 (E_RNA)
where:
Base-Base interactions energy: -25.905
where: short stacking energy: -17.932
Base-Backbone interact. energy: 0.256
local terms energy: -44.815491
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -11.041
flat angles P-C4'-P energy: -5.950
tors. eta vs tors. theta energy: -0.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -60.312242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.312242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.312242 (E_RNA)
where:
Base-Base interactions energy: -23.182
where: short stacking energy: -22.488
Base-Backbone interact. energy: -0.011
local terms energy: -37.119701
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -7.974
flat angles C4'-P-C4' energy: -8.963
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: -0.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -63.079316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.079316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.079316 (E_RNA)
where:
Base-Base interactions energy: -22.690
where: short stacking energy: -14.856
Base-Backbone interact. energy: -0.102
local terms energy: -40.286727
where:
bonds (distance) C4'-P energy: -10.897
bonds (distance) P-C4' energy: -11.666
flat angles C4'-P-C4' energy: -9.594
flat angles P-C4'-P energy: -5.909
tors. eta vs tors. theta energy: -2.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -51.761157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.761157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.761157 (E_RNA)
where:
Base-Base interactions energy: -15.000
where: short stacking energy: -13.458
Base-Backbone interact. energy: -0.739
local terms energy: -36.022185
where:
bonds (distance) C4'-P energy: -8.835
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -9.185
flat angles P-C4'-P energy: -4.288
tors. eta vs tors. theta energy: 0.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -151.629208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.629208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.629208 (E_RNA)
where:
Base-Base interactions energy: -90.076
where: short stacking energy: -37.084
Base-Backbone interact. energy: -0.010
local terms energy: -61.542578
where:
bonds (distance) C4'-P energy: -10.738
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -13.335
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -13.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -152.713443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.713443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.713443 (E_RNA)
where:
Base-Base interactions energy: -99.452
where: short stacking energy: -49.698
Base-Backbone interact. energy: -0.002
local terms energy: -53.260338
where:
bonds (distance) C4'-P energy: -10.810
bonds (distance) P-C4' energy: -10.277
flat angles C4'-P-C4' energy: -9.294
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -14.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -149.620309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.620309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.620309 (E_RNA)
where:
Base-Base interactions energy: -102.303
where: short stacking energy: -38.117
Base-Backbone interact. energy: -0.016
local terms energy: -47.300988
where:
bonds (distance) C4'-P energy: -11.807
bonds (distance) P-C4' energy: -8.641
flat angles C4'-P-C4' energy: -11.130
flat angles P-C4'-P energy: -7.237
tors. eta vs tors. theta energy: -8.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -140.720646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.720646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.720646 (E_RNA)
where:
Base-Base interactions energy: -93.230
where: short stacking energy: -31.537
Base-Backbone interact. energy: -0.037
local terms energy: -47.454276
where:
bonds (distance) C4'-P energy: -10.970
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -12.080
flat angles P-C4'-P energy: -4.803
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: 5, replica: 1
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -141.493066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.493066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.493066 (E_RNA)
where:
Base-Base interactions energy: -94.476
where: short stacking energy: -37.460
Base-Backbone interact. energy: -0.092
local terms energy: -46.924860
where:
bonds (distance) C4'-P energy: -10.892
bonds (distance) P-C4' energy: -11.280
flat angles C4'-P-C4' energy: -11.576
flat angles P-C4'-P energy: -4.466
tors. eta vs tors. theta energy: -8.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -83.695960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.695960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.695960 (E_RNA)
where:
Base-Base interactions energy: -51.213
where: short stacking energy: -13.677
Base-Backbone interact. energy: -0.238
local terms energy: -32.245684
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -9.322
flat angles C4'-P-C4' energy: -8.445
flat angles P-C4'-P energy: -2.390
tors. eta vs tors. theta energy: -0.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -75.654612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.654612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.654612 (E_RNA)
where:
Base-Base interactions energy: -42.194
where: short stacking energy: -18.042
Base-Backbone interact. energy: -0.064
local terms energy: -33.396016
where:
bonds (distance) C4'-P energy: -8.343
bonds (distance) P-C4' energy: -11.930
flat angles C4'-P-C4' energy: -10.229
flat angles P-C4'-P energy: -6.049
tors. eta vs tors. theta energy: 3.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -59.666447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.666447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.666447 (E_RNA)
where:
Base-Base interactions energy: -16.700
where: short stacking energy: -16.700
Base-Backbone interact. energy: -1.245
local terms energy: -41.720799
where:
bonds (distance) C4'-P energy: -11.418
bonds (distance) P-C4' energy: -9.574
flat angles C4'-P-C4' energy: -9.790
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -2.555
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: 9
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -56.578791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.578791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.578791 (E_RNA)
where:
Base-Base interactions energy: -12.549
where: short stacking energy: -12.549
Base-Backbone interact. energy: -0.001
local terms energy: -44.029168
where:
bonds (distance) C4'-P energy: -11.782
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -10.815
flat angles P-C4'-P energy: -8.150
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: 10, replica: 7
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -57.222346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.222346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.222346 (E_RNA)
where:
Base-Base interactions energy: -37.279
where: short stacking energy: -17.022
Base-Backbone interact. energy: -0.154
local terms energy: -19.789251
where:
bonds (distance) C4'-P energy: -7.501
bonds (distance) P-C4' energy: -5.266
flat angles C4'-P-C4' energy: -7.089
flat angles P-C4'-P energy: -0.358
tors. eta vs tors. theta energy: 0.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -147.167707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.167707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.167707 (E_RNA)
where:
Base-Base interactions energy: -90.481
where: short stacking energy: -45.469
Base-Backbone interact. energy: -0.001
local terms energy: -56.684872
where:
bonds (distance) C4'-P energy: -9.386
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -11.280
flat angles P-C4'-P energy: -6.057
tors. eta vs tors. theta energy: -16.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -148.479556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.479556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.479556 (E_RNA)
where:
Base-Base interactions energy: -100.976
where: short stacking energy: -32.749
Base-Backbone interact. energy: -0.243
local terms energy: -47.260619
where:
bonds (distance) C4'-P energy: -9.790
bonds (distance) P-C4' energy: -10.371
flat angles C4'-P-C4' energy: -8.939
flat angles P-C4'-P energy: -5.275
tors. eta vs tors. theta energy: -12.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -152.348104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.348104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.348104 (E_RNA)
where:
Base-Base interactions energy: -99.715
where: short stacking energy: -33.677
Base-Backbone interact. energy: -0.725
local terms energy: -51.908291
where:
bonds (distance) C4'-P energy: -9.497
bonds (distance) P-C4' energy: -9.694
flat angles C4'-P-C4' energy: -11.217
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -12.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -139.270136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.270136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.270136 (E_RNA)
where:
Base-Base interactions energy: -87.627
where: short stacking energy: -42.665
Base-Backbone interact. energy: -0.001
local terms energy: -51.642283
where:
bonds (distance) C4'-P energy: -11.418
bonds (distance) P-C4' energy: -10.415
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -7.981
tors. eta vs tors. theta energy: -10.390
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: 4
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -123.018618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.018618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.018618 (E_RNA)
where:
Base-Base interactions energy: -76.895
where: short stacking energy: -29.359
Base-Backbone interact. energy: -0.072
local terms energy: -46.052379
where:
bonds (distance) C4'-P energy: -9.452
bonds (distance) P-C4' energy: -13.205
flat angles C4'-P-C4' energy: -10.726
flat angles P-C4'-P energy: -5.972
tors. eta vs tors. theta energy: -6.696
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: 6, replica: 3
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -74.652739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.652739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.652739 (E_RNA)
where:
Base-Base interactions energy: -26.664
where: short stacking energy: -26.664
Base-Backbone interact. energy: -0.011
local terms energy: -47.977933
where:
bonds (distance) C4'-P energy: -10.395
bonds (distance) P-C4' energy: -10.626
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -7.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -69.319438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.319438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.319438 (E_RNA)
where:
Base-Base interactions energy: -25.345
where: short stacking energy: -25.345
Base-Backbone interact. energy: -0.017
local terms energy: -43.957709
where:
bonds (distance) C4'-P energy: -9.341
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -12.004
flat angles P-C4'-P energy: -7.623
tors. eta vs tors. theta energy: -2.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -63.904515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.904515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.904515 (E_RNA)
where:
Base-Base interactions energy: -17.743
where: short stacking energy: -17.743
Base-Backbone interact. energy: -0.107
local terms energy: -46.054280
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -10.789
flat angles C4'-P-C4' energy: -5.955
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -5.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -59.653694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.653694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.653694 (E_RNA)
where:
Base-Base interactions energy: -15.826
where: short stacking energy: -12.784
Base-Backbone interact. energy: -1.269
local terms energy: -42.558727
where:
bonds (distance) C4'-P energy: -11.923
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -9.209
flat angles P-C4'-P energy: -8.334
tors. eta vs tors. theta energy: -0.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -60.261807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.261807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.261807 (E_RNA)
where:
Base-Base interactions energy: -17.173
where: short stacking energy: -12.391
Base-Backbone interact. energy: -0.069
local terms energy: -43.019215
where:
bonds (distance) C4'-P energy: -11.848
bonds (distance) P-C4' energy: -12.706
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -6.100
tors. eta vs tors. theta energy: -0.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -155.895455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.895455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.895455 (E_RNA)
where:
Base-Base interactions energy: -94.156
where: short stacking energy: -41.400
Base-Backbone interact. energy: -2.078
local terms energy: -59.661069
where:
bonds (distance) C4'-P energy: -12.458
bonds (distance) P-C4' energy: -10.758
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -12.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -151.747856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.747856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.747856 (E_RNA)
where:
Base-Base interactions energy: -98.234
where: short stacking energy: -39.949
Base-Backbone interact. energy: -0.001
local terms energy: -53.512127
where:
bonds (distance) C4'-P energy: -6.694
bonds (distance) P-C4' energy: -13.016
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -6.401
tors. eta vs tors. theta energy: -14.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -133.327031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.327031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.327031 (E_RNA)
where:
Base-Base interactions energy: -85.139
where: short stacking energy: -41.004
Base-Backbone interact. energy: -0.008
local terms energy: -48.180172
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -11.675
flat angles C4'-P-C4' energy: -9.955
flat angles P-C4'-P energy: -5.784
tors. eta vs tors. theta energy: -9.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -136.507902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.507902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.507902 (E_RNA)
where:
Base-Base interactions energy: -89.503
where: short stacking energy: -35.413
Base-Backbone interact. energy: -0.149
local terms energy: -46.856414
where:
bonds (distance) C4'-P energy: -11.199
bonds (distance) P-C4' energy: -10.488
flat angles C4'-P-C4' energy: -8.846
flat angles P-C4'-P energy: -5.754
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: 5, replica: 4
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -125.426953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.426953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.426953 (E_RNA)
where:
Base-Base interactions energy: -79.853
where: short stacking energy: -33.587
Base-Backbone interact. energy: -0.234
local terms energy: -45.339564
where:
bonds (distance) C4'-P energy: -11.356
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -7.251
flat angles P-C4'-P energy: -6.684
tors. eta vs tors. theta energy: -6.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -85.512641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.512641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.512641 (E_RNA)
where:
Base-Base interactions energy: -42.073
where: short stacking energy: -22.246
Base-Backbone interact. energy: 0.095
local terms energy: -43.534424
where:
bonds (distance) C4'-P energy: -8.086
bonds (distance) P-C4' energy: -12.941
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: -0.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -59.576173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.576173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.576173 (E_RNA)
where:
Base-Base interactions energy: -21.600
where: short stacking energy: -10.657
Base-Backbone interact. energy: -0.011
local terms energy: -37.965700
where:
bonds (distance) C4'-P energy: -10.452
bonds (distance) P-C4' energy: -10.240
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -6.686
tors. eta vs tors. theta energy: 1.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -81.929873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.929873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.929873 (E_RNA)
where:
Base-Base interactions energy: -46.455
where: short stacking energy: -18.320
Base-Backbone interact. energy: -0.175
local terms energy: -35.300142
where:
bonds (distance) C4'-P energy: -7.177
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -8.855
flat angles P-C4'-P energy: -3.789
tors. eta vs tors. theta energy: -2.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -59.152074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.152074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.152074 (E_RNA)
where:
Base-Base interactions energy: -21.687
where: short stacking energy: -21.376
Base-Backbone interact. energy: -0.004
local terms energy: -37.461150
where:
bonds (distance) C4'-P energy: -10.491
bonds (distance) P-C4' energy: -10.830
flat angles C4'-P-C4' energy: -6.858
flat angles P-C4'-P energy: -6.700
tors. eta vs tors. theta energy: -2.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -54.060056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.060056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.060056 (E_RNA)
where:
Base-Base interactions energy: -12.415
where: short stacking energy: -12.415
Base-Backbone interact. energy: -0.033
local terms energy: -41.611829
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -8.042
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: 2.255
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: 1, replica: 6
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -156.258617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.258617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.258617 (E_RNA)
where:
Base-Base interactions energy: -100.518
where: short stacking energy: -39.682
Base-Backbone interact. energy: -0.470
local terms energy: -55.271253
where:
bonds (distance) C4'-P energy: -9.414
bonds (distance) P-C4' energy: -12.327
flat angles C4'-P-C4' energy: -12.627
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: -11.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -142.539309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.539309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.539309 (E_RNA)
where:
Base-Base interactions energy: -89.665
where: short stacking energy: -45.882
Base-Backbone interact. energy: -0.183
local terms energy: -52.691279
where:
bonds (distance) C4'-P energy: -8.247
bonds (distance) P-C4' energy: -11.214
flat angles C4'-P-C4' energy: -12.001
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: -13.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -136.216427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.216427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.216427 (E_RNA)
where:
Base-Base interactions energy: -85.812
where: short stacking energy: -34.922
Base-Backbone interact. energy: -0.100
local terms energy: -50.303993
where:
bonds (distance) C4'-P energy: -12.440
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -10.394
flat angles P-C4'-P energy: -3.498
tors. eta vs tors. theta energy: -12.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -136.771797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.771797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.771797 (E_RNA)
where:
Base-Base interactions energy: -87.348
where: short stacking energy: -38.847
Base-Backbone interact. energy: -0.008
local terms energy: -49.415441
where:
bonds (distance) C4'-P energy: -9.228
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -9.439
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -9.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -133.336006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.336006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.336006 (E_RNA)
where:
Base-Base interactions energy: -76.477
where: short stacking energy: -36.064
Base-Backbone interact. energy: -1.070
local terms energy: -55.789291
where:
bonds (distance) C4'-P energy: -11.790
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: -11.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -70.822608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.822608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.822608 (E_RNA)
where:
Base-Base interactions energy: -34.989
where: short stacking energy: -13.919
Base-Backbone interact. energy: 0.491
local terms energy: -36.324540
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -9.122
flat angles C4'-P-C4' energy: -6.805
flat angles P-C4'-P energy: -4.426
tors. eta vs tors. theta energy: -3.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -82.978929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.978929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.978929 (E_RNA)
where:
Base-Base interactions energy: -40.335
where: short stacking energy: -22.232
Base-Backbone interact. energy: -0.086
local terms energy: -42.558334
where:
bonds (distance) C4'-P energy: -6.202
bonds (distance) P-C4' energy: -11.503
flat angles C4'-P-C4' energy: -8.574
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -7.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -66.230971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.230971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.230971 (E_RNA)
where:
Base-Base interactions energy: -29.955
where: short stacking energy: -20.162
Base-Backbone interact. energy: -0.016
local terms energy: -36.260505
where:
bonds (distance) C4'-P energy: -9.509
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -8.832
flat angles P-C4'-P energy: -2.676
tors. eta vs tors. theta energy: -2.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -63.096484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.096484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.096484 (E_RNA)
where:
Base-Base interactions energy: -26.004
where: short stacking energy: -15.838
Base-Backbone interact. energy: -0.512
local terms energy: -36.580466
where:
bonds (distance) C4'-P energy: -8.984
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -9.065
flat angles P-C4'-P energy: -7.623
tors. eta vs tors. theta energy: 0.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -70.654585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.654585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.654585 (E_RNA)
where:
Base-Base interactions energy: -19.248
where: short stacking energy: -19.248
Base-Backbone interact. energy: -0.000
local terms energy: -51.406281
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -7.048
flat angles P-C4'-P energy: -7.460
tors. eta vs tors. theta energy: -10.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -155.547923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.547923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.547923 (E_RNA)
where:
Base-Base interactions energy: -100.860
where: short stacking energy: -39.784
Base-Backbone interact. energy: 0.302
local terms energy: -54.989385
where:
bonds (distance) C4'-P energy: -10.127
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -11.699
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -11.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -138.495667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.495667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.495667 (E_RNA)
where:
Base-Base interactions energy: -80.716
where: short stacking energy: -36.563
Base-Backbone interact. energy: -0.011
local terms energy: -57.769486
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -5.026
tors. eta vs tors. theta energy: -12.887
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: 1
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -147.548815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.548815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.548815 (E_RNA)
where:
Base-Base interactions energy: -101.748
where: short stacking energy: -42.702
Base-Backbone interact. energy: -0.190
local terms energy: -45.610548
where:
bonds (distance) C4'-P energy: -11.273
bonds (distance) P-C4' energy: -10.090
flat angles C4'-P-C4' energy: -10.728
flat angles P-C4'-P energy: -5.766
tors. eta vs tors. theta energy: -7.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -133.936800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.936800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.936800 (E_RNA)
where:
Base-Base interactions energy: -84.723
where: short stacking energy: -33.147
Base-Backbone interact. energy: 0.218
local terms energy: -49.431269
where:
bonds (distance) C4'-P energy: -11.124
bonds (distance) P-C4' energy: -11.599
flat angles C4'-P-C4' energy: -10.725
flat angles P-C4'-P energy: -2.815
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: 5, replica: 4
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -146.393470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.393470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.393470 (E_RNA)
where:
Base-Base interactions energy: -102.074
where: short stacking energy: -34.050
Base-Backbone interact. energy: -1.182
local terms energy: -43.137305
where:
bonds (distance) C4'-P energy: -9.941
bonds (distance) P-C4' energy: -9.806
flat angles C4'-P-C4' energy: -6.670
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: -8.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -69.434919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.434919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.434919 (E_RNA)
where:
Base-Base interactions energy: -25.332
where: short stacking energy: -15.364
Base-Backbone interact. energy: -0.855
local terms energy: -43.247787
where:
bonds (distance) C4'-P energy: -11.464
bonds (distance) P-C4' energy: -11.141
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -7.014
tors. eta vs tors. theta energy: -2.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -76.391658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.391658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.391658 (E_RNA)
where:
Base-Base interactions energy: -25.129
where: short stacking energy: -22.433
Base-Backbone interact. energy: -0.154
local terms energy: -51.108363
where:
bonds (distance) C4'-P energy: -7.108
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -12.209
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -9.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -62.155778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.155778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.155778 (E_RNA)
where:
Base-Base interactions energy: -15.172
where: short stacking energy: -14.448
Base-Backbone interact. energy: -0.377
local terms energy: -46.606237
where:
bonds (distance) C4'-P energy: -9.953
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -1.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -59.718472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.718472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.718472 (E_RNA)
where:
Base-Base interactions energy: -31.617
where: short stacking energy: -16.763
Base-Backbone interact. energy: -0.304
local terms energy: -27.798207
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -9.049
flat angles C4'-P-C4' energy: -4.121
flat angles P-C4'-P energy: -1.791
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: 8
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -64.571386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.571386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.571386 (E_RNA)
where:
Base-Base interactions energy: -31.950
where: short stacking energy: -15.391
Base-Backbone interact. energy: -0.269
local terms energy: -32.351973
where:
bonds (distance) C4'-P energy: -9.791
bonds (distance) P-C4' energy: -11.898
flat angles C4'-P-C4' energy: -4.164
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: 1.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -150.569433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.569433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.569433 (E_RNA)
where:
Base-Base interactions energy: -105.303
where: short stacking energy: -26.401
Base-Backbone interact. energy: -0.014
local terms energy: -45.252321
where:
bonds (distance) C4'-P energy: -10.905
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -9.029
flat angles P-C4'-P energy: -2.386
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: 2, replica: 1
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -150.343025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.343025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.343025 (E_RNA)
where:
Base-Base interactions energy: -108.169
where: short stacking energy: -38.367
Base-Backbone interact. energy: 0.570
local terms energy: -42.744920
where:
bonds (distance) C4'-P energy: -10.963
bonds (distance) P-C4' energy: -11.760
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: 1.830
tors. eta vs tors. theta energy: -9.325
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: 10
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -143.525786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.525786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.525786 (E_RNA)
where:
Base-Base interactions energy: -93.664
where: short stacking energy: -31.185
Base-Backbone interact. energy: -0.127
local terms energy: -49.734900
where:
bonds (distance) C4'-P energy: -12.577
bonds (distance) P-C4' energy: -11.673
flat angles C4'-P-C4' energy: -9.510
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -7.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -138.908442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.908442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.908442 (E_RNA)
where:
Base-Base interactions energy: -88.687
where: short stacking energy: -25.641
Base-Backbone interact. energy: -0.052
local terms energy: -50.169098
where:
bonds (distance) C4'-P energy: -9.252
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -11.379
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -9.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -125.090978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.090978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.090978 (E_RNA)
where:
Base-Base interactions energy: -78.981
where: short stacking energy: -30.366
Base-Backbone interact. energy: -0.019
local terms energy: -46.090966
where:
bonds (distance) C4'-P energy: -11.045
bonds (distance) P-C4' energy: -8.575
flat angles C4'-P-C4' energy: -13.100
flat angles P-C4'-P energy: -5.868
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: 6, replica: 3
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -61.824579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.824579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.824579 (E_RNA)
where:
Base-Base interactions energy: -19.230
where: short stacking energy: -14.172
Base-Backbone interact. energy: 0.207
local terms energy: -42.801014
where:
bonds (distance) C4'-P energy: -8.951
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -7.186
tors. eta vs tors. theta energy: -3.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -74.790869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.790869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.790869 (E_RNA)
where:
Base-Base interactions energy: -27.768
where: short stacking energy: -27.615
Base-Backbone interact. energy: -0.055
local terms energy: -46.967822
where:
bonds (distance) C4'-P energy: -9.133
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -10.630
flat angles P-C4'-P energy: -4.258
tors. eta vs tors. theta energy: -10.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -57.673279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.673279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.673279 (E_RNA)
where:
Base-Base interactions energy: -18.558
where: short stacking energy: -16.671
Base-Backbone interact. energy: -0.010
local terms energy: -39.104723
where:
bonds (distance) C4'-P energy: -9.443
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -8.078
tors. eta vs tors. theta energy: 3.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -55.425456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.425456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.425456 (E_RNA)
where:
Base-Base interactions energy: -17.057
where: short stacking energy: -17.057
Base-Backbone interact. energy: -0.033
local terms energy: -38.336069
where:
bonds (distance) C4'-P energy: -9.153
bonds (distance) P-C4' energy: -13.562
flat angles C4'-P-C4' energy: -11.196
flat angles P-C4'-P energy: -4.009
tors. eta vs tors. theta energy: -0.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -60.747312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.747312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.747312 (E_RNA)
where:
Base-Base interactions energy: -25.680
where: short stacking energy: -14.085
Base-Backbone interact. energy: 0.122
local terms energy: -35.189440
where:
bonds (distance) C4'-P energy: -8.313
bonds (distance) P-C4' energy: -11.399
flat angles C4'-P-C4' energy: -10.581
flat angles P-C4'-P energy: -1.695
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: 6
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -159.890409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.890409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.890409 (E_RNA)
where:
Base-Base interactions energy: -103.540
where: short stacking energy: -38.699
Base-Backbone interact. energy: -0.400
local terms energy: -55.950834
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -10.577
flat angles C4'-P-C4' energy: -9.182
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -14.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -150.902783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.902783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.902783 (E_RNA)
where:
Base-Base interactions energy: -98.457
where: short stacking energy: -33.544
Base-Backbone interact. energy: -0.004
local terms energy: -52.441671
where:
bonds (distance) C4'-P energy: -9.526
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -11.287
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: -9.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -147.045646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.045646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.045646 (E_RNA)
where:
Base-Base interactions energy: -93.718
where: short stacking energy: -26.922
Base-Backbone interact. energy: -0.120
local terms energy: -53.206838
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -11.430
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -6.903
tors. eta vs tors. theta energy: -9.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -144.009426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.009426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.009426 (E_RNA)
where:
Base-Base interactions energy: -99.504
where: short stacking energy: -36.977
Base-Backbone interact. energy: 0.297
local terms energy: -44.802013
where:
bonds (distance) C4'-P energy: -8.121
bonds (distance) P-C4' energy: -9.527
flat angles C4'-P-C4' energy: -8.673
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -10.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -141.163130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.163130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.163130 (E_RNA)
where:
Base-Base interactions energy: -88.492
where: short stacking energy: -42.207
Base-Backbone interact. energy: -0.001
local terms energy: -52.669827
where:
bonds (distance) C4'-P energy: -8.875
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: -9.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -69.650831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.650831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.650831 (E_RNA)
where:
Base-Base interactions energy: -23.294
where: short stacking energy: -22.068
Base-Backbone interact. energy: -0.025
local terms energy: -46.331521
where:
bonds (distance) C4'-P energy: -9.683
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -10.804
flat angles P-C4'-P energy: -5.751
tors. eta vs tors. theta energy: -6.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -66.030120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.030120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.030120 (E_RNA)
where:
Base-Base interactions energy: -24.668
where: short stacking energy: -15.022
Base-Backbone interact. energy: -0.036
local terms energy: -41.326147
where:
bonds (distance) C4'-P energy: -8.532
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -9.104
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: -1.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -61.303814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.303814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.303814 (E_RNA)
where:
Base-Base interactions energy: -23.330
where: short stacking energy: -8.300
Base-Backbone interact. energy: -0.189
local terms energy: -37.785050
where:
bonds (distance) C4'-P energy: -9.720
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -8.728
flat angles P-C4'-P energy: -3.734
tors. eta vs tors. theta energy: -0.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -75.910238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.910238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.910238 (E_RNA)
where:
Base-Base interactions energy: -37.965
where: short stacking energy: -17.916
Base-Backbone interact. energy: 1.051
local terms energy: -38.995933
where:
bonds (distance) C4'-P energy: -9.597
bonds (distance) P-C4' energy: -11.082
flat angles C4'-P-C4' energy: -10.951
flat angles P-C4'-P energy: -4.560
tors. eta vs tors. theta energy: -2.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -55.341520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.341520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.341520 (E_RNA)
where:
Base-Base interactions energy: -20.094
where: short stacking energy: -17.843
Base-Backbone interact. energy: -0.081
local terms energy: -35.166889
where:
bonds (distance) C4'-P energy: -8.019
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -7.617
flat angles P-C4'-P energy: -7.451
tors. eta vs tors. theta energy: -0.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -151.245806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.245806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.245806 (E_RNA)
where:
Base-Base interactions energy: -100.840
where: short stacking energy: -36.416
Base-Backbone interact. energy: -0.005
local terms energy: -50.401049
where:
bonds (distance) C4'-P energy: -10.180
bonds (distance) P-C4' energy: -11.499
flat angles C4'-P-C4' energy: -10.665
flat angles P-C4'-P energy: -7.842
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: 2, replica: 1
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -136.784174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.784174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.784174 (E_RNA)
where:
Base-Base interactions energy: -86.158
where: short stacking energy: -31.177
Base-Backbone interact. energy: -0.352
local terms energy: -50.274480
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -11.113
flat angles C4'-P-C4' energy: -7.312
flat angles P-C4'-P energy: -9.518
tors. eta vs tors. theta energy: -10.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -140.487220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.487220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.487220 (E_RNA)
where:
Base-Base interactions energy: -96.344
where: short stacking energy: -40.274
Base-Backbone interact. energy: -0.070
local terms energy: -44.073281
where:
bonds (distance) C4'-P energy: -7.874
bonds (distance) P-C4' energy: -8.308
flat angles C4'-P-C4' energy: -9.142
flat angles P-C4'-P energy: -7.192
tors. eta vs tors. theta energy: -11.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -133.941093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.941093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.941093 (E_RNA)
where:
Base-Base interactions energy: -85.393
where: short stacking energy: -27.680
Base-Backbone interact. energy: 0.034
local terms energy: -48.582145
where:
bonds (distance) C4'-P energy: -11.633
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -11.117
flat angles P-C4'-P energy: -6.420
tors. eta vs tors. theta energy: -6.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -133.753750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.753750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.753750 (E_RNA)
where:
Base-Base interactions energy: -84.326
where: short stacking energy: -29.536
Base-Backbone interact. energy: -0.927
local terms energy: -48.500455
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -10.182
flat angles C4'-P-C4' energy: -9.506
flat angles P-C4'-P energy: -7.134
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: 6, replica: 9
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -72.100570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.100570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.100570 (E_RNA)
where:
Base-Base interactions energy: -36.124
where: short stacking energy: -15.463
Base-Backbone interact. energy: -0.300
local terms energy: -35.676851
where:
bonds (distance) C4'-P energy: -11.024
bonds (distance) P-C4' energy: -9.167
flat angles C4'-P-C4' energy: -10.856
flat angles P-C4'-P energy: -6.738
tors. eta vs tors. theta energy: 2.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -74.977995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.977995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.977995 (E_RNA)
where:
Base-Base interactions energy: -25.661
where: short stacking energy: -25.661
Base-Backbone interact. energy: -0.112
local terms energy: -49.205140
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -13.699
flat angles C4'-P-C4' energy: -11.043
flat angles P-C4'-P energy: -8.352
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: 8, replica: 8
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -83.616304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.616304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.616304 (E_RNA)
where:
Base-Base interactions energy: -43.608
where: short stacking energy: -23.711
Base-Backbone interact. energy: -0.146
local terms energy: -39.861704
where:
bonds (distance) C4'-P energy: -9.472
bonds (distance) P-C4' energy: -10.293
flat angles C4'-P-C4' energy: -9.039
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -1.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -66.868955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.868955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.868955 (E_RNA)
where:
Base-Base interactions energy: -27.368
where: short stacking energy: -16.608
Base-Backbone interact. energy: -0.593
local terms energy: -38.907709
where:
bonds (distance) C4'-P energy: -7.403
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -7.814
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: -4.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -66.131312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.131312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.131312 (E_RNA)
where:
Base-Base interactions energy: -30.855
where: short stacking energy: -19.562
Base-Backbone interact. energy: -0.154
local terms energy: -35.122899
where:
bonds (distance) C4'-P energy: -11.017
bonds (distance) P-C4' energy: -5.769
flat angles C4'-P-C4' energy: -10.724
flat angles P-C4'-P energy: -5.589
tors. eta vs tors. theta energy: -2.024
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: 1
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -149.072328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.072328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.072328 (E_RNA)
where:
Base-Base interactions energy: -94.595
where: short stacking energy: -38.227
Base-Backbone interact. energy: -0.000
local terms energy: -54.476529
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -9.535
flat angles P-C4'-P energy: -7.984
tors. eta vs tors. theta energy: -12.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -153.139224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.139224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.139224 (E_RNA)
where:
Base-Base interactions energy: -98.654
where: short stacking energy: -45.134
Base-Backbone interact. energy: -0.001
local terms energy: -54.483377
where:
bonds (distance) C4'-P energy: -9.687
bonds (distance) P-C4' energy: -10.599
flat angles C4'-P-C4' energy: -12.679
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -11.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -139.381021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.381021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.381021 (E_RNA)
where:
Base-Base interactions energy: -88.886
where: short stacking energy: -36.224
Base-Backbone interact. energy: -0.211
local terms energy: -50.283732
where:
bonds (distance) C4'-P energy: -10.482
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -11.068
flat angles P-C4'-P energy: -4.634
tors. eta vs tors. theta energy: -11.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -140.033535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.033535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.033535 (E_RNA)
where:
Base-Base interactions energy: -88.595
where: short stacking energy: -39.030
Base-Backbone interact. energy: -0.042
local terms energy: -51.396492
where:
bonds (distance) C4'-P energy: -10.830
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -4.134
tors. eta vs tors. theta energy: -10.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -133.341231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.341231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.341231 (E_RNA)
where:
Base-Base interactions energy: -80.637
where: short stacking energy: -44.557
Base-Backbone interact. energy: -0.014
local terms energy: -52.690370
where:
bonds (distance) C4'-P energy: -8.664
bonds (distance) P-C4' energy: -11.028
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -6.693
tors. eta vs tors. theta energy: -14.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -70.543930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.543930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.543930 (E_RNA)
where:
Base-Base interactions energy: -30.472
where: short stacking energy: -19.386
Base-Backbone interact. energy: -0.164
local terms energy: -39.908245
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -11.198
flat angles P-C4'-P energy: -2.474
tors. eta vs tors. theta energy: -0.828
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: 7, replica: 3
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -62.512278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.512278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.512278 (E_RNA)
where:
Base-Base interactions energy: -16.194
where: short stacking energy: -16.194
Base-Backbone interact. energy: -0.050
local terms energy: -46.267544
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -8.826
flat angles P-C4'-P energy: -7.751
tors. eta vs tors. theta energy: -5.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -63.159975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.159975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.159975 (E_RNA)
where:
Base-Base interactions energy: -16.548
where: short stacking energy: -16.548
Base-Backbone interact. energy: -0.263
local terms energy: -46.348769
where:
bonds (distance) C4'-P energy: -11.616
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -11.350
flat angles P-C4'-P energy: -6.627
tors. eta vs tors. theta energy: -3.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -54.599889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.599889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.599889 (E_RNA)
where:
Base-Base interactions energy: -22.419
where: short stacking energy: -11.634
Base-Backbone interact. energy: -0.205
local terms energy: -31.975250
where:
bonds (distance) C4'-P energy: -9.836
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -8.459
flat angles P-C4'-P energy: -4.772
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: 7
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -51.641600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.641600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.641600 (E_RNA)
where:
Base-Base interactions energy: -16.084
where: short stacking energy: -16.084
Base-Backbone interact. energy: -0.860
local terms energy: -34.697705
where:
bonds (distance) C4'-P energy: -9.212
bonds (distance) P-C4' energy: -8.943
flat angles C4'-P-C4' energy: -9.701
flat angles P-C4'-P energy: -7.320
tors. eta vs tors. theta energy: 0.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -149.095086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.095086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.095086 (E_RNA)
where:
Base-Base interactions energy: -95.752
where: short stacking energy: -36.110
Base-Backbone interact. energy: -0.107
local terms energy: -53.236219
where:
bonds (distance) C4'-P energy: -10.905
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -5.348
tors. eta vs tors. theta energy: -13.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -150.493846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.493846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.493846 (E_RNA)
where:
Base-Base interactions energy: -99.402
where: short stacking energy: -33.235
Base-Backbone interact. energy: -0.056
local terms energy: -51.035936
where:
bonds (distance) C4'-P energy: -9.945
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -3.812
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: 3, replica: 6
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -135.443139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.443139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.443139 (E_RNA)
where:
Base-Base interactions energy: -87.827
where: short stacking energy: -30.712
Base-Backbone interact. energy: -0.074
local terms energy: -47.541553
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -10.609
flat angles C4'-P-C4' energy: -7.581
flat angles P-C4'-P energy: -7.020
tors. eta vs tors. theta energy: -9.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -138.265947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.265947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.265947 (E_RNA)
where:
Base-Base interactions energy: -92.875
where: short stacking energy: -33.490
Base-Backbone interact. energy: -0.006
local terms energy: -45.385453
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -10.501
flat angles C4'-P-C4' energy: -12.226
flat angles P-C4'-P energy: -1.264
tors. eta vs tors. theta energy: -8.611
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: 4
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -133.623474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.623474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.623474 (E_RNA)
where:
Base-Base interactions energy: -86.694
where: short stacking energy: -37.243
Base-Backbone interact. energy: -0.351
local terms energy: -46.578937
where:
bonds (distance) C4'-P energy: -7.643
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -10.703
flat angles P-C4'-P energy: -5.452
tors. eta vs tors. theta energy: -9.975
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: 3
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -72.215357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.215357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.215357 (E_RNA)
where:
Base-Base interactions energy: -20.572
where: short stacking energy: -20.572
Base-Backbone interact. energy: -0.005
local terms energy: -51.638127
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -11.352
flat angles C4'-P-C4' energy: -10.838
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -6.955
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: 9
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -59.879680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.879680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.879680 (E_RNA)
where:
Base-Base interactions energy: -22.591
where: short stacking energy: -20.533
Base-Backbone interact. energy: -0.059
local terms energy: -37.229779
where:
bonds (distance) C4'-P energy: -6.144
bonds (distance) P-C4' energy: -10.322
flat angles C4'-P-C4' energy: -11.193
flat angles P-C4'-P energy: -6.310
tors. eta vs tors. theta energy: -3.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -65.209820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.209820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.209820 (E_RNA)
where:
Base-Base interactions energy: -23.734
where: short stacking energy: -16.659
Base-Backbone interact. energy: -0.033
local terms energy: -41.443048
where:
bonds (distance) C4'-P energy: -10.209
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -10.940
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: 0.465
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: 9, replica: 8
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -67.054865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.054865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.054865 (E_RNA)
where:
Base-Base interactions energy: -29.046
where: short stacking energy: -21.946
Base-Backbone interact. energy: -0.003
local terms energy: -38.005581
where:
bonds (distance) C4'-P energy: -9.736
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -9.400
flat angles P-C4'-P energy: -2.019
tors. eta vs tors. theta energy: -5.126
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: 7
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -61.473470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.473470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.473470 (E_RNA)
where:
Base-Base interactions energy: -25.117
where: short stacking energy: -19.632
Base-Backbone interact. energy: 0.408
local terms energy: -36.764697
where:
bonds (distance) C4'-P energy: -7.037
bonds (distance) P-C4' energy: -12.390
flat angles C4'-P-C4' energy: -11.888
flat angles P-C4'-P energy: -3.336
tors. eta vs tors. theta energy: -2.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -157.897821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.897821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.897821 (E_RNA)
where:
Base-Base interactions energy: -102.059
where: short stacking energy: -43.806
Base-Backbone interact. energy: -0.060
local terms energy: -55.779153
where:
bonds (distance) C4'-P energy: -11.050
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -12.475
flat angles P-C4'-P energy: -8.370
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: 2, replica: 1
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -151.286357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.286357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.286357 (E_RNA)
where:
Base-Base interactions energy: -93.578
where: short stacking energy: -36.127
Base-Backbone interact. energy: -0.312
local terms energy: -57.396649
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -12.222
flat angles P-C4'-P energy: -6.219
tors. eta vs tors. theta energy: -12.179
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: 6
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -146.825437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.825437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.825437 (E_RNA)
where:
Base-Base interactions energy: -102.814
where: short stacking energy: -34.528
Base-Backbone interact. energy: -0.104
local terms energy: -43.907307
where:
bonds (distance) C4'-P energy: -7.779
bonds (distance) P-C4' energy: -5.956
flat angles C4'-P-C4' energy: -11.216
flat angles P-C4'-P energy: -8.404
tors. eta vs tors. theta energy: -10.552
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: 5
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -138.673100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.673100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.673100 (E_RNA)
where:
Base-Base interactions energy: -88.727
where: short stacking energy: -42.315
Base-Backbone interact. energy: -0.002
local terms energy: -49.944684
where:
bonds (distance) C4'-P energy: -7.043
bonds (distance) P-C4' energy: -10.443
flat angles C4'-P-C4' energy: -12.398
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -11.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -129.632601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.632601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.632601 (E_RNA)
where:
Base-Base interactions energy: -82.100
where: short stacking energy: -38.148
Base-Backbone interact. energy: -0.067
local terms energy: -47.465548
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -13.230
flat angles C4'-P-C4' energy: -8.197
flat angles P-C4'-P energy: -3.817
tors. eta vs tors. theta energy: -10.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -77.218929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.218929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.218929 (E_RNA)
where:
Base-Base interactions energy: -31.231
where: short stacking energy: -22.232
Base-Backbone interact. energy: -0.087
local terms energy: -45.901536
where:
bonds (distance) C4'-P energy: -8.706
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -7.759
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: 7, replica: 9
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -62.734264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.734264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.734264 (E_RNA)
where:
Base-Base interactions energy: -30.594
where: short stacking energy: -17.689
Base-Backbone interact. energy: -0.029
local terms energy: -32.111066
where:
bonds (distance) C4'-P energy: -8.280
bonds (distance) P-C4' energy: -8.996
flat angles C4'-P-C4' energy: -6.219
flat angles P-C4'-P energy: -6.443
tors. eta vs tors. theta energy: -2.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -66.081790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.081790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.081790 (E_RNA)
where:
Base-Base interactions energy: -29.056
where: short stacking energy: -16.569
Base-Backbone interact. energy: -0.979
local terms energy: -36.046544
where:
bonds (distance) C4'-P energy: -6.302
bonds (distance) P-C4' energy: -9.805
flat angles C4'-P-C4' energy: -13.319
flat angles P-C4'-P energy: -4.353
tors. eta vs tors. theta energy: -2.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -59.922633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.922633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.922633 (E_RNA)
where:
Base-Base interactions energy: -18.001
where: short stacking energy: -18.001
Base-Backbone interact. energy: -0.003
local terms energy: -41.919049
where:
bonds (distance) C4'-P energy: -10.085
bonds (distance) P-C4' energy: -9.471
flat angles C4'-P-C4' energy: -6.567
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -8.000
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: 10, replica: 8
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -62.360064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.360064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.360064 (E_RNA)
where:
Base-Base interactions energy: -30.120
where: short stacking energy: -10.603
Base-Backbone interact. energy: 0.461
local terms energy: -32.701372
where:
bonds (distance) C4'-P energy: -9.091
bonds (distance) P-C4' energy: -4.519
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -5.929
tors. eta vs tors. theta energy: -0.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -158.975526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.975526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.975526 (E_RNA)
where:
Base-Base interactions energy: -106.300
where: short stacking energy: -36.934
Base-Backbone interact. energy: -0.226
local terms energy: -52.448873
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -11.842
flat angles C4'-P-C4' energy: -8.068
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -10.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -149.993400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.993400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.993400 (E_RNA)
where:
Base-Base interactions energy: -94.611
where: short stacking energy: -36.537
Base-Backbone interact. energy: -0.057
local terms energy: -55.325691
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -9.074
flat angles P-C4'-P energy: -7.052
tors. eta vs tors. theta energy: -12.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -140.864991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.864991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.864991 (E_RNA)
where:
Base-Base interactions energy: -98.435
where: short stacking energy: -25.479
Base-Backbone interact. energy: 0.718
local terms energy: -43.147800
where:
bonds (distance) C4'-P energy: -9.808
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -8.396
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: -4.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -145.545844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.545844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.545844 (E_RNA)
where:
Base-Base interactions energy: -96.213
where: short stacking energy: -36.957
Base-Backbone interact. energy: -0.036
local terms energy: -49.297074
where:
bonds (distance) C4'-P energy: -10.680
bonds (distance) P-C4' energy: -10.519
flat angles C4'-P-C4' energy: -9.933
flat angles P-C4'-P energy: -5.826
tors. eta vs tors. theta energy: -12.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -134.637553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.637553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.637553 (E_RNA)
where:
Base-Base interactions energy: -84.031
where: short stacking energy: -22.982
Base-Backbone interact. energy: -0.036
local terms energy: -50.570762
where:
bonds (distance) C4'-P energy: -10.185
bonds (distance) P-C4' energy: -12.019
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -4.774
tors. eta vs tors. theta energy: -10.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -80.456637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.456637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.456637 (E_RNA)
where:
Base-Base interactions energy: -35.851
where: short stacking energy: -17.513
Base-Backbone interact. energy: -0.183
local terms energy: -44.422026
where:
bonds (distance) C4'-P energy: -11.435
bonds (distance) P-C4' energy: -11.031
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -5.239
tors. eta vs tors. theta energy: -3.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -65.700094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.700094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.700094 (E_RNA)
where:
Base-Base interactions energy: -24.624
where: short stacking energy: -24.440
Base-Backbone interact. energy: -0.004
local terms energy: -41.071820
where:
bonds (distance) C4'-P energy: -9.410
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -8.693
flat angles P-C4'-P energy: -6.532
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: 8, replica: 7
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -63.698823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.698823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.698823 (E_RNA)
where:
Base-Base interactions energy: -14.212
where: short stacking energy: -14.165
Base-Backbone interact. energy: -0.058
local terms energy: -49.428594
where:
bonds (distance) C4'-P energy: -13.397
bonds (distance) P-C4' energy: -13.466
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -3.731
tors. eta vs tors. theta energy: -5.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -57.364592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.364592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.364592 (E_RNA)
where:
Base-Base interactions energy: -13.331
where: short stacking energy: -13.331
Base-Backbone interact. energy: -0.001
local terms energy: -44.032164
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -6.839
flat angles P-C4'-P energy: -7.783
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: 10, replica: 8
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -58.274013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.274013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.274013 (E_RNA)
where:
Base-Base interactions energy: -21.549
where: short stacking energy: -17.645
Base-Backbone interact. energy: -0.228
local terms energy: -36.496792
where:
bonds (distance) C4'-P energy: -10.226
bonds (distance) P-C4' energy: -10.954
flat angles C4'-P-C4' energy: -10.103
flat angles P-C4'-P energy: -5.068
tors. eta vs tors. theta energy: -0.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -153.354580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.354580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.354580 (E_RNA)
where:
Base-Base interactions energy: -93.440
where: short stacking energy: -38.262
Base-Backbone interact. energy: -0.055
local terms energy: -59.859509
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -5.985
tors. eta vs tors. theta energy: -13.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -136.438884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.438884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.438884 (E_RNA)
where:
Base-Base interactions energy: -81.392
where: short stacking energy: -36.870
Base-Backbone interact. energy: -0.099
local terms energy: -54.948531
where:
bonds (distance) C4'-P energy: -11.451
bonds (distance) P-C4' energy: -11.690
flat angles C4'-P-C4' energy: -10.830
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -12.440
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: 144
Temperature: 1.000000
Total energy: -144.444503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.444503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.444503 (E_RNA)
where:
Base-Base interactions energy: -94.912
where: short stacking energy: -37.682
Base-Backbone interact. energy: -0.038
local terms energy: -49.494323
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -9.063
flat angles P-C4'-P energy: -6.204
tors. eta vs tors. theta energy: -8.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -148.383807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.383807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.383807 (E_RNA)
where:
Base-Base interactions energy: -99.050
where: short stacking energy: -30.482
Base-Backbone interact. energy: -0.071
local terms energy: -49.262889
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: -8.176
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -8.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -128.461135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.461135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.461135 (E_RNA)
where:
Base-Base interactions energy: -74.331
where: short stacking energy: -31.336
Base-Backbone interact. energy: -0.090
local terms energy: -54.040010
where:
bonds (distance) C4'-P energy: -11.281
bonds (distance) P-C4' energy: -12.761
flat angles C4'-P-C4' energy: -10.840
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -9.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -83.410623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.410623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.410623 (E_RNA)
where:
Base-Base interactions energy: -46.247
where: short stacking energy: -20.011
Base-Backbone interact. energy: -0.488
local terms energy: -36.675158
where:
bonds (distance) C4'-P energy: -8.504
bonds (distance) P-C4' energy: -10.401
flat angles C4'-P-C4' energy: -8.273
flat angles P-C4'-P energy: -8.852
tors. eta vs tors. theta energy: -0.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -64.860668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.860668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.860668 (E_RNA)
where:
Base-Base interactions energy: -22.063
where: short stacking energy: -22.063
Base-Backbone interact. energy: -0.011
local terms energy: -42.786129
where:
bonds (distance) C4'-P energy: -11.782
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -9.457
flat angles P-C4'-P energy: -5.052
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: 8, replica: 9
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -63.672743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.672743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.672743 (E_RNA)
where:
Base-Base interactions energy: -23.449
where: short stacking energy: -23.449
Base-Backbone interact. energy: -0.013
local terms energy: -40.210671
where:
bonds (distance) C4'-P energy: -11.389
bonds (distance) P-C4' energy: -9.689
flat angles C4'-P-C4' energy: -8.945
flat angles P-C4'-P energy: -5.183
tors. eta vs tors. theta energy: -5.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -62.763007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.763007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.763007 (E_RNA)
where:
Base-Base interactions energy: -23.101
where: short stacking energy: -22.916
Base-Backbone interact. energy: -0.085
local terms energy: -39.577162
where:
bonds (distance) C4'-P energy: -10.126
bonds (distance) P-C4' energy: -8.693
flat angles C4'-P-C4' energy: -8.814
flat angles P-C4'-P energy: -5.032
tors. eta vs tors. theta energy: -6.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -50.921892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.921892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.921892 (E_RNA)
where:
Base-Base interactions energy: -11.793
where: short stacking energy: -11.793
Base-Backbone interact. energy: -0.081
local terms energy: -39.048303
where:
bonds (distance) C4'-P energy: -9.231
bonds (distance) P-C4' energy: -11.276
flat angles C4'-P-C4' energy: -8.556
flat angles P-C4'-P energy: -4.541
tors. eta vs tors. theta energy: -5.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -152.483046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.483046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.483046 (E_RNA)
where:
Base-Base interactions energy: -98.132
where: short stacking energy: -39.663
Base-Backbone interact. energy: -0.171
local terms energy: -54.179718
where:
bonds (distance) C4'-P energy: -11.364
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -12.507
flat angles P-C4'-P energy: -7.671
tors. eta vs tors. theta energy: -8.876
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: 145
Temperature: 0.950000
Total energy: -152.456825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.456825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.456825 (E_RNA)
where:
Base-Base interactions energy: -96.464
where: short stacking energy: -33.352
Base-Backbone interact. energy: -0.110
local terms energy: -55.883344
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -11.932
flat angles P-C4'-P energy: -5.441
tors. eta vs tors. theta energy: -12.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -141.701415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.701415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.701415 (E_RNA)
where:
Base-Base interactions energy: -91.231
where: short stacking energy: -33.451
Base-Backbone interact. energy: 0.354
local terms energy: -50.824244
where:
bonds (distance) C4'-P energy: -9.924
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -9.649
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -7.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -132.874829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.874829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.874829 (E_RNA)
where:
Base-Base interactions energy: -84.847
where: short stacking energy: -33.963
Base-Backbone interact. energy: -0.097
local terms energy: -47.930489
where:
bonds (distance) C4'-P energy: -8.379
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -10.533
flat angles P-C4'-P energy: -6.249
tors. eta vs tors. theta energy: -10.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -118.675859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.675859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.675859 (E_RNA)
where:
Base-Base interactions energy: -70.124
where: short stacking energy: -31.659
Base-Backbone interact. energy: -1.431
local terms energy: -47.120703
where:
bonds (distance) C4'-P energy: -11.985
bonds (distance) P-C4' energy: -10.303
flat angles C4'-P-C4' energy: -11.548
flat angles P-C4'-P energy: -6.321
tors. eta vs tors. theta energy: -6.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -59.795174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.795174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.795174 (E_RNA)
where:
Base-Base interactions energy: -12.480
where: short stacking energy: -8.933
Base-Backbone interact. energy: -1.187
local terms energy: -46.127832
where:
bonds (distance) C4'-P energy: -7.526
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -12.212
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -3.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -78.818697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.818697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.818697 (E_RNA)
where:
Base-Base interactions energy: -36.248
where: short stacking energy: -16.152
Base-Backbone interact. energy: -0.126
local terms energy: -42.444723
where:
bonds (distance) C4'-P energy: -11.965
bonds (distance) P-C4' energy: -13.534
flat angles C4'-P-C4' energy: -10.138
flat angles P-C4'-P energy: -6.326
tors. eta vs tors. theta energy: -0.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -62.903796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.903796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.903796 (E_RNA)
where:
Base-Base interactions energy: -21.350
where: short stacking energy: -18.468
Base-Backbone interact. energy: 0.090
local terms energy: -41.644311
where:
bonds (distance) C4'-P energy: -8.403
bonds (distance) P-C4' energy: -10.137
flat angles C4'-P-C4' energy: -6.795
flat angles P-C4'-P energy: -6.173
tors. eta vs tors. theta energy: -10.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -60.629115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.629115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.629115 (E_RNA)
where:
Base-Base interactions energy: -18.236
where: short stacking energy: -15.343
Base-Backbone interact. energy: -0.130
local terms energy: -42.263087
where:
bonds (distance) C4'-P energy: -11.174
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -10.544
flat angles P-C4'-P energy: -4.618
tors. eta vs tors. theta energy: -2.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -60.992126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.992126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.992126 (E_RNA)
where:
Base-Base interactions energy: -22.818
where: short stacking energy: -9.104
Base-Backbone interact. energy: -0.319
local terms energy: -37.854591
where:
bonds (distance) C4'-P energy: -9.775
bonds (distance) P-C4' energy: -11.411
flat angles C4'-P-C4' energy: -9.175
flat angles P-C4'-P energy: -4.763
tors. eta vs tors. theta energy: -2.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -149.760578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.760578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.760578 (E_RNA)
where:
Base-Base interactions energy: -96.747
where: short stacking energy: -39.916
Base-Backbone interact. energy: -1.134
local terms energy: -51.879302
where:
bonds (distance) C4'-P energy: -8.318
bonds (distance) P-C4' energy: -11.306
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -9.044
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: 2, replica: 10
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -157.037939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.037939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.037939 (E_RNA)
where:
Base-Base interactions energy: -104.054
where: short stacking energy: -40.087
Base-Backbone interact. energy: -0.003
local terms energy: -52.981218
where:
bonds (distance) C4'-P energy: -11.526
bonds (distance) P-C4' energy: -10.356
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -8.004
tors. eta vs tors. theta energy: -10.707
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: 1
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -148.645611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.645611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.645611 (E_RNA)
where:
Base-Base interactions energy: -96.023
where: short stacking energy: -41.157
Base-Backbone interact. energy: 0.309
local terms energy: -52.931342
where:
bonds (distance) C4'-P energy: -10.796
bonds (distance) P-C4' energy: -12.936
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -8.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -124.180984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.180984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.180984 (E_RNA)
where:
Base-Base interactions energy: -80.390
where: short stacking energy: -17.010
Base-Backbone interact. energy: -0.208
local terms energy: -43.583267
where:
bonds (distance) C4'-P energy: -10.818
bonds (distance) P-C4' energy: -10.063
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -5.681
tors. eta vs tors. theta energy: -3.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -133.437527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.437527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.437527 (E_RNA)
where:
Base-Base interactions energy: -82.449
where: short stacking energy: -30.286
Base-Backbone interact. energy: -0.799
local terms energy: -50.189618
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -12.231
flat angles C4'-P-C4' energy: -11.333
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -4.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -87.799476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.799476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.799476 (E_RNA)
where:
Base-Base interactions energy: -37.811
where: short stacking energy: -23.431
Base-Backbone interact. energy: -0.271
local terms energy: -49.717200
where:
bonds (distance) C4'-P energy: -11.861
bonds (distance) P-C4' energy: -10.172
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -7.178
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: 7, replica: 2
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -67.325628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.325628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.325628 (E_RNA)
where:
Base-Base interactions energy: -31.390
where: short stacking energy: -22.410
Base-Backbone interact. energy: -0.049
local terms energy: -35.886608
where:
bonds (distance) C4'-P energy: -9.204
bonds (distance) P-C4' energy: -8.889
flat angles C4'-P-C4' energy: -8.793
flat angles P-C4'-P energy: -5.324
tors. eta vs tors. theta energy: -3.677
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: 3
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -68.806482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.806482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.806482 (E_RNA)
where:
Base-Base interactions energy: -35.266
where: short stacking energy: -15.066
Base-Backbone interact. energy: -0.081
local terms energy: -33.459466
where:
bonds (distance) C4'-P energy: -6.872
bonds (distance) P-C4' energy: -6.448
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -5.475
tors. eta vs tors. theta energy: -3.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -59.945334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.945334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.945334 (E_RNA)
where:
Base-Base interactions energy: -20.675
where: short stacking energy: -4.398
Base-Backbone interact. energy: -0.311
local terms energy: -38.958967
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -8.638
flat angles C4'-P-C4' energy: -10.598
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: 0.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -56.022404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.022404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.022404 (E_RNA)
where:
Base-Base interactions energy: -17.897
where: short stacking energy: -13.157
Base-Backbone interact. energy: -0.525
local terms energy: -37.600080
where:
bonds (distance) C4'-P energy: -6.259
bonds (distance) P-C4' energy: -12.868
flat angles C4'-P-C4' energy: -9.748
flat angles P-C4'-P energy: -4.431
tors. eta vs tors. theta energy: -4.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -137.681319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.681319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.681319 (E_RNA)
where:
Base-Base interactions energy: -88.166
where: short stacking energy: -29.748
Base-Backbone interact. energy: -0.112
local terms energy: -49.403349
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -8.317
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -6.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -142.062884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.062884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.062884 (E_RNA)
where:
Base-Base interactions energy: -88.814
where: short stacking energy: -39.109
Base-Backbone interact. energy: -0.092
local terms energy: -53.157355
where:
bonds (distance) C4'-P energy: -8.823
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -12.408
flat angles P-C4'-P energy: -4.339
tors. eta vs tors. theta energy: -13.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -147.599540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.599540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.599540 (E_RNA)
where:
Base-Base interactions energy: -95.763
where: short stacking energy: -37.800
Base-Backbone interact. energy: -0.007
local terms energy: -51.829744
where:
bonds (distance) C4'-P energy: -10.710
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -11.560
flat angles P-C4'-P energy: -6.821
tors. eta vs tors. theta energy: -10.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -139.078089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.078089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.078089 (E_RNA)
where:
Base-Base interactions energy: -84.681
where: short stacking energy: -42.485
Base-Backbone interact. energy: -0.019
local terms energy: -54.377865
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -7.993
flat angles C4'-P-C4' energy: -10.248
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -15.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -137.891199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.891199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.891199 (E_RNA)
where:
Base-Base interactions energy: -92.050
where: short stacking energy: -38.314
Base-Backbone interact. energy: -0.001
local terms energy: -45.840807
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -10.418
flat angles C4'-P-C4' energy: -11.292
flat angles P-C4'-P energy: -0.639
tors. eta vs tors. theta energy: -10.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -63.131746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.131746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.131746 (E_RNA)
where:
Base-Base interactions energy: -17.297
where: short stacking energy: -17.297
Base-Backbone interact. energy: -0.101
local terms energy: -45.733506
where:
bonds (distance) C4'-P energy: -13.252
bonds (distance) P-C4' energy: -11.218
flat angles C4'-P-C4' energy: -9.073
flat angles P-C4'-P energy: -9.022
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: 7, replica: 7
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -72.399875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.399875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.399875 (E_RNA)
where:
Base-Base interactions energy: -32.419
where: short stacking energy: -22.028
Base-Backbone interact. energy: -0.002
local terms energy: -39.979738
where:
bonds (distance) C4'-P energy: -6.549
bonds (distance) P-C4' energy: -11.811
flat angles C4'-P-C4' energy: -9.920
flat angles P-C4'-P energy: -6.232
tors. eta vs tors. theta energy: -5.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -63.994971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.994971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.994971 (E_RNA)
where:
Base-Base interactions energy: -24.377
where: short stacking energy: -16.553
Base-Backbone interact. energy: 0.686
local terms energy: -40.303263
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -9.539
flat angles P-C4'-P energy: -6.116
tors. eta vs tors. theta energy: -0.562
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: 9, replica: 3
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -60.042529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.042529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.042529 (E_RNA)
where:
Base-Base interactions energy: -18.005
where: short stacking energy: -14.313
Base-Backbone interact. energy: -0.033
local terms energy: -42.004370
where:
bonds (distance) C4'-P energy: -9.879
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -11.302
flat angles P-C4'-P energy: -5.897
tors. eta vs tors. theta energy: -1.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -53.879564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.879564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.879564 (E_RNA)
where:
Base-Base interactions energy: -22.838
where: short stacking energy: -9.548
Base-Backbone interact. energy: -0.243
local terms energy: -30.798325
where:
bonds (distance) C4'-P energy: -12.270
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -5.767
flat angles P-C4'-P energy: -1.140
tors. eta vs tors. theta energy: 1.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -145.889730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.889730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.889730 (E_RNA)
where:
Base-Base interactions energy: -90.357
where: short stacking energy: -41.006
Base-Backbone interact. energy: -0.436
local terms energy: -55.097191
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -5.857
tors. eta vs tors. theta energy: -11.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -148.401038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.401038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.401038 (E_RNA)
where:
Base-Base interactions energy: -95.195
where: short stacking energy: -40.758
Base-Backbone interact. energy: -0.006
local terms energy: -53.200123
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -12.264
flat angles C4'-P-C4' energy: -10.254
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -7.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -136.821506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.821506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.821506 (E_RNA)
where:
Base-Base interactions energy: -87.015
where: short stacking energy: -36.125
Base-Backbone interact. energy: -0.220
local terms energy: -49.586632
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -8.212
flat angles P-C4'-P energy: -5.825
tors. eta vs tors. theta energy: -10.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -144.754182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.754182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.754182 (E_RNA)
where:
Base-Base interactions energy: -96.680
where: short stacking energy: -41.463
Base-Backbone interact. energy: -1.059
local terms energy: -47.015737
where:
bonds (distance) C4'-P energy: -6.280
bonds (distance) P-C4' energy: -12.201
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -7.329
tors. eta vs tors. theta energy: -9.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -131.127509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.127509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.127509 (E_RNA)
where:
Base-Base interactions energy: -74.704
where: short stacking energy: -31.792
Base-Backbone interact. energy: -0.002
local terms energy: -56.421216
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -13.171
flat angles C4'-P-C4' energy: -11.169
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -9.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -69.195689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.195689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.195689 (E_RNA)
where:
Base-Base interactions energy: -22.915
where: short stacking energy: -16.551
Base-Backbone interact. energy: 0.602
local terms energy: -46.882790
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -9.043
flat angles P-C4'-P energy: -9.204
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: 7, replica: 7
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -74.513446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.513446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.513446 (E_RNA)
where:
Base-Base interactions energy: -30.727
where: short stacking energy: -18.094
Base-Backbone interact. energy: -0.045
local terms energy: -43.740952
where:
bonds (distance) C4'-P energy: -10.855
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -8.104
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -3.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -62.731372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.731372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.731372 (E_RNA)
where:
Base-Base interactions energy: -21.642
where: short stacking energy: -16.848
Base-Backbone interact. energy: -0.012
local terms energy: -41.077770
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -9.390
flat angles C4'-P-C4' energy: -7.139
flat angles P-C4'-P energy: -7.347
tors. eta vs tors. theta energy: -4.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -65.049650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.049650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.049650 (E_RNA)
where:
Base-Base interactions energy: -22.119
where: short stacking energy: -22.119
Base-Backbone interact. energy: -0.194
local terms energy: -42.736591
where:
bonds (distance) C4'-P energy: -9.281
bonds (distance) P-C4' energy: -8.661
flat angles C4'-P-C4' energy: -9.937
flat angles P-C4'-P energy: -10.239
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: 3
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -58.178170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.178170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.178170 (E_RNA)
where:
Base-Base interactions energy: -20.287
where: short stacking energy: -15.348
Base-Backbone interact. energy: -0.085
local terms energy: -37.805949
where:
bonds (distance) C4'-P energy: -11.034
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -10.170
flat angles P-C4'-P energy: -2.884
tors. eta vs tors. theta energy: -1.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -150.941297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.941297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.941297 (E_RNA)
where:
Base-Base interactions energy: -101.244
where: short stacking energy: -37.604
Base-Backbone interact. energy: -0.151
local terms energy: -49.546659
where:
bonds (distance) C4'-P energy: -9.861
bonds (distance) P-C4' energy: -12.866
flat angles C4'-P-C4' energy: -10.587
flat angles P-C4'-P energy: -7.521
tors. eta vs tors. theta energy: -8.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -151.132884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.132884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.132884 (E_RNA)
where:
Base-Base interactions energy: -95.178
where: short stacking energy: -35.545
Base-Backbone interact. energy: 0.293
local terms energy: -56.247755
where:
bonds (distance) C4'-P energy: -10.193
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -11.813
flat angles P-C4'-P energy: -7.602
tors. eta vs tors. theta energy: -14.021
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: 10
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -145.907475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.907475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.907475 (E_RNA)
where:
Base-Base interactions energy: -95.553
where: short stacking energy: -37.581
Base-Backbone interact. energy: -0.074
local terms energy: -50.281254
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -1.744
tors. eta vs tors. theta energy: -11.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -139.091205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.091205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.091205 (E_RNA)
where:
Base-Base interactions energy: -87.102
where: short stacking energy: -40.547
Base-Backbone interact. energy: -0.039
local terms energy: -51.950661
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -9.979
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -2.659
tors. eta vs tors. theta energy: -13.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -145.086225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.086225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.086225 (E_RNA)
where:
Base-Base interactions energy: -94.868
where: short stacking energy: -33.954
Base-Backbone interact. energy: -0.118
local terms energy: -50.100207
where:
bonds (distance) C4'-P energy: -10.335
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -7.817
flat angles P-C4'-P energy: -7.746
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: 6, replica: 2
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -102.259651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.259651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.259651 (E_RNA)
where:
Base-Base interactions energy: -62.937
where: short stacking energy: -18.722
Base-Backbone interact. energy: 0.720
local terms energy: -40.042365
where:
bonds (distance) C4'-P energy: -9.811
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -6.425
flat angles P-C4'-P energy: -5.882
tors. eta vs tors. theta energy: -4.560
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: 7
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -70.178834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.178834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.178834 (E_RNA)
where:
Base-Base interactions energy: -24.012
where: short stacking energy: -24.012
Base-Backbone interact. energy: -0.469
local terms energy: -45.697769
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -2.244
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: 8
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -60.282425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.282425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.282425 (E_RNA)
where:
Base-Base interactions energy: -25.660
where: short stacking energy: -16.280
Base-Backbone interact. energy: 0.216
local terms energy: -34.838711
where:
bonds (distance) C4'-P energy: -5.393
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -5.810
flat angles P-C4'-P energy: -4.973
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: 9
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -65.642757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.642757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.642757 (E_RNA)
where:
Base-Base interactions energy: -19.350
where: short stacking energy: -19.350
Base-Backbone interact. energy: -0.010
local terms energy: -46.283099
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -7.427
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -4.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -58.729726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.729726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.729726 (E_RNA)
where:
Base-Base interactions energy: -24.670
where: short stacking energy: -20.332
Base-Backbone interact. energy: -0.177
local terms energy: -33.882250
where:
bonds (distance) C4'-P energy: -11.646
bonds (distance) P-C4' energy: -10.095
flat angles C4'-P-C4' energy: -5.742
flat angles P-C4'-P energy: -4.579
tors. eta vs tors. theta energy: -1.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -152.999446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.999446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.999446 (E_RNA)
where:
Base-Base interactions energy: -97.828
where: short stacking energy: -38.156
Base-Backbone interact. energy: -0.071
local terms energy: -55.100630
where:
bonds (distance) C4'-P energy: -12.163
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -9.965
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -11.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -158.040727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.040727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.040727 (E_RNA)
where:
Base-Base interactions energy: -102.476
where: short stacking energy: -41.150
Base-Backbone interact. energy: -0.157
local terms energy: -55.406778
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -9.311
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -11.026
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: 10
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -136.071257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.071257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.071257 (E_RNA)
where:
Base-Base interactions energy: -84.927
where: short stacking energy: -40.367
Base-Backbone interact. energy: -0.102
local terms energy: -51.042958
where:
bonds (distance) C4'-P energy: -12.221
bonds (distance) P-C4' energy: -9.165
flat angles C4'-P-C4' energy: -9.269
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -10.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -141.552741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.552741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.552741 (E_RNA)
where:
Base-Base interactions energy: -98.960
where: short stacking energy: -36.907
Base-Backbone interact. energy: -0.048
local terms energy: -42.544233
where:
bonds (distance) C4'-P energy: -10.924
bonds (distance) P-C4' energy: -8.421
flat angles C4'-P-C4' energy: -7.143
flat angles P-C4'-P energy: -6.902
tors. eta vs tors. theta energy: -9.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -149.705280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.705280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.705280 (E_RNA)
where:
Base-Base interactions energy: -98.602
where: short stacking energy: -33.912
Base-Backbone interact. energy: -0.076
local terms energy: -51.027171
where:
bonds (distance) C4'-P energy: -10.296
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -8.921
flat angles P-C4'-P energy: -6.264
tors. eta vs tors. theta energy: -11.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -71.135699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.135699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.135699 (E_RNA)
where:
Base-Base interactions energy: -37.367
where: short stacking energy: -17.493
Base-Backbone interact. energy: 0.079
local terms energy: -33.847663
where:
bonds (distance) C4'-P energy: -9.208
bonds (distance) P-C4' energy: -12.522
flat angles C4'-P-C4' energy: -9.509
flat angles P-C4'-P energy: -5.850
tors. eta vs tors. theta energy: 3.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -82.899674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.899674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.899674 (E_RNA)
where:
Base-Base interactions energy: -50.402
where: short stacking energy: -24.930
Base-Backbone interact. energy: -0.207
local terms energy: -32.290540
where:
bonds (distance) C4'-P energy: -5.478
bonds (distance) P-C4' energy: -11.349
flat angles C4'-P-C4' energy: -6.209
flat angles P-C4'-P energy: -3.606
tors. eta vs tors. theta energy: -5.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -62.472305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.472305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.472305 (E_RNA)
where:
Base-Base interactions energy: -28.983
where: short stacking energy: -10.450
Base-Backbone interact. energy: -0.093
local terms energy: -33.396112
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -11.110
flat angles C4'-P-C4' energy: -6.996
flat angles P-C4'-P energy: -8.724
tors. eta vs tors. theta energy: 5.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -63.099496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.099496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.099496 (E_RNA)
where:
Base-Base interactions energy: -20.473
where: short stacking energy: -18.044
Base-Backbone interact. energy: -0.159
local terms energy: -42.466931
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -9.777
flat angles C4'-P-C4' energy: -10.758
flat angles P-C4'-P energy: -2.562
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: 10, replica: 3
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -67.268988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.268988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.268988 (E_RNA)
where:
Base-Base interactions energy: -39.535
where: short stacking energy: -13.816
Base-Backbone interact. energy: -0.603
local terms energy: -27.131470
where:
bonds (distance) C4'-P energy: -9.838
bonds (distance) P-C4' energy: -9.729
flat angles C4'-P-C4' energy: -4.968
flat angles P-C4'-P energy: -1.456
tors. eta vs tors. theta energy: -1.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -157.264566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.264566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.264566 (E_RNA)
where:
Base-Base interactions energy: -105.707
where: short stacking energy: -41.305
Base-Backbone interact. energy: -0.080
local terms energy: -51.477197
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -11.454
flat angles P-C4'-P energy: -6.341
tors. eta vs tors. theta energy: -9.579
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: 2, replica: 10
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -142.668778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.668778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.668778 (E_RNA)
where:
Base-Base interactions energy: -91.547
where: short stacking energy: -40.004
Base-Backbone interact. energy: -0.006
local terms energy: -51.115997
where:
bonds (distance) C4'-P energy: -12.933
bonds (distance) P-C4' energy: -8.821
flat angles C4'-P-C4' energy: -8.600
flat angles P-C4'-P energy: -6.311
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: 3, replica: 1
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -140.599188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.599188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.599188 (E_RNA)
where:
Base-Base interactions energy: -89.563
where: short stacking energy: -35.116
Base-Backbone interact. energy: -0.153
local terms energy: -50.882952
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -11.374
flat angles C4'-P-C4' energy: -11.960
flat angles P-C4'-P energy: -3.244
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: 4, replica: 4
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -136.548684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.548684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.548684 (E_RNA)
where:
Base-Base interactions energy: -88.305
where: short stacking energy: -30.777
Base-Backbone interact. energy: -0.098
local terms energy: -48.145242
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -9.521
flat angles C4'-P-C4' energy: -7.376
flat angles P-C4'-P energy: -7.394
tors. eta vs tors. theta energy: -11.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -137.196995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.196995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.196995 (E_RNA)
where:
Base-Base interactions energy: -87.892
where: short stacking energy: -42.091
Base-Backbone interact. energy: -0.000
local terms energy: -49.304912
where:
bonds (distance) C4'-P energy: -10.705
bonds (distance) P-C4' energy: -10.519
flat angles C4'-P-C4' energy: -10.254
flat angles P-C4'-P energy: -4.921
tors. eta vs tors. theta energy: -12.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -64.327187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.327187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.327187 (E_RNA)
where:
Base-Base interactions energy: -22.402
where: short stacking energy: -22.602
Base-Backbone interact. energy: -0.072
local terms energy: -41.853728
where:
bonds (distance) C4'-P energy: -9.766
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -10.193
flat angles P-C4'-P energy: -6.567
tors. eta vs tors. theta energy: -2.016
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: 7, replica: 2
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -60.731632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.731632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.731632 (E_RNA)
where:
Base-Base interactions energy: -20.856
where: short stacking energy: -14.666
Base-Backbone interact. energy: -0.034
local terms energy: -39.841672
where:
bonds (distance) C4'-P energy: -12.734
bonds (distance) P-C4' energy: -11.934
flat angles C4'-P-C4' energy: -7.024
flat angles P-C4'-P energy: -8.029
tors. eta vs tors. theta energy: -0.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -63.448613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.448613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.448613 (E_RNA)
where:
Base-Base interactions energy: -22.949
where: short stacking energy: -20.951
Base-Backbone interact. energy: -0.204
local terms energy: -40.295852
where:
bonds (distance) C4'-P energy: -9.199
bonds (distance) P-C4' energy: -10.655
flat angles C4'-P-C4' energy: -7.157
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -3.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -54.695691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.695691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.695691 (E_RNA)
where:
Base-Base interactions energy: -14.503
where: short stacking energy: -11.893
Base-Backbone interact. energy: -0.199
local terms energy: -39.994029
where:
bonds (distance) C4'-P energy: -8.983
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -10.190
flat angles P-C4'-P energy: -7.163
tors. eta vs tors. theta energy: -1.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -66.124542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.124542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.124542 (E_RNA)
where:
Base-Base interactions energy: -24.964
where: short stacking energy: -11.933
Base-Backbone interact. energy: 0.133
local terms energy: -41.293215
where:
bonds (distance) C4'-P energy: -10.826
bonds (distance) P-C4' energy: -11.191
flat angles C4'-P-C4' energy: -9.189
flat angles P-C4'-P energy: -7.766
tors. eta vs tors. theta energy: -2.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -151.255675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.255675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.255675 (E_RNA)
where:
Base-Base interactions energy: -96.061
where: short stacking energy: -35.828
Base-Backbone interact. energy: -0.005
local terms energy: -55.189467
where:
bonds (distance) C4'-P energy: -10.751
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -12.000
flat angles P-C4'-P energy: -6.605
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: 6
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -145.123549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.123549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.123549 (E_RNA)
where:
Base-Base interactions energy: -97.992
where: short stacking energy: -42.251
Base-Backbone interact. energy: -0.049
local terms energy: -47.082266
where:
bonds (distance) C4'-P energy: -9.092
bonds (distance) P-C4' energy: -11.424
flat angles C4'-P-C4' energy: -9.860
flat angles P-C4'-P energy: -7.842
tors. eta vs tors. theta energy: -8.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -126.508427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.508427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.508427 (E_RNA)
where:
Base-Base interactions energy: -82.704
where: short stacking energy: -32.481
Base-Backbone interact. energy: -0.105
local terms energy: -43.700090
where:
bonds (distance) C4'-P energy: -11.965
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -8.928
flat angles P-C4'-P energy: -6.184
tors. eta vs tors. theta energy: -4.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -148.236503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.236503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.236503 (E_RNA)
where:
Base-Base interactions energy: -100.901
where: short stacking energy: -39.347
Base-Backbone interact. energy: 0.213
local terms energy: -47.548801
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -10.259
flat angles C4'-P-C4' energy: -9.998
flat angles P-C4'-P energy: -5.804
tors. eta vs tors. theta energy: -8.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -126.968427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.968427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.968427 (E_RNA)
where:
Base-Base interactions energy: -75.126
where: short stacking energy: -36.857
Base-Backbone interact. energy: -0.002
local terms energy: -51.840530
where:
bonds (distance) C4'-P energy: -10.233
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -7.105
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: 6, replica: 7
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -69.845707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.845707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.845707 (E_RNA)
where:
Base-Base interactions energy: -29.128
where: short stacking energy: -8.017
Base-Backbone interact. energy: -0.074
local terms energy: -40.643584
where:
bonds (distance) C4'-P energy: -9.762
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: 3.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -74.315213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.315213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.315213 (E_RNA)
where:
Base-Base interactions energy: -36.976
where: short stacking energy: -18.253
Base-Backbone interact. energy: -0.235
local terms energy: -37.105134
where:
bonds (distance) C4'-P energy: -10.922
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -10.505
flat angles P-C4'-P energy: -3.409
tors. eta vs tors. theta energy: 0.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -134.632038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.632038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.632038 (E_RNA)
where:
Base-Base interactions energy: -82.149
where: short stacking energy: -37.664
Base-Backbone interact. energy: -0.036
local terms energy: -52.446915
where:
bonds (distance) C4'-P energy: -11.004
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -5.289
tors. eta vs tors. theta energy: -9.700
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: 3
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -66.764416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.764416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.764416 (E_RNA)
where:
Base-Base interactions energy: -27.522
where: short stacking energy: -12.785
Base-Backbone interact. energy: -0.170
local terms energy: -39.073114
where:
bonds (distance) C4'-P energy: -6.827
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -10.359
flat angles P-C4'-P energy: -6.999
tors. eta vs tors. theta energy: -1.826
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: 8
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -58.660961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.660961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.660961 (E_RNA)
where:
Base-Base interactions energy: -22.458
where: short stacking energy: -14.766
Base-Backbone interact. energy: -0.110
local terms energy: -36.093375
where:
bonds (distance) C4'-P energy: -9.070
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -0.158
tors. eta vs tors. theta energy: -1.086
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: 10
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -152.449794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.449794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.449794 (E_RNA)
where:
Base-Base interactions energy: -104.135
where: short stacking energy: -35.255
Base-Backbone interact. energy: -0.333
local terms energy: -47.981344
where:
bonds (distance) C4'-P energy: -10.363
bonds (distance) P-C4' energy: -8.592
flat angles C4'-P-C4' energy: -10.638
flat angles P-C4'-P energy: -7.558
tors. eta vs tors. theta energy: -10.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -142.926201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.926201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.926201 (E_RNA)
where:
Base-Base interactions energy: -90.122
where: short stacking energy: -33.936
Base-Backbone interact. energy: -0.008
local terms energy: -52.796378
where:
bonds (distance) C4'-P energy: -13.682
bonds (distance) P-C4' energy: -10.116
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -7.860
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: 3, replica: 6
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -153.019087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.019087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.019087 (E_RNA)
where:
Base-Base interactions energy: -105.848
where: short stacking energy: -37.396
Base-Backbone interact. energy: -0.749
local terms energy: -46.422275
where:
bonds (distance) C4'-P energy: -9.490
bonds (distance) P-C4' energy: -10.860
flat angles C4'-P-C4' energy: -10.483
flat angles P-C4'-P energy: -4.443
tors. eta vs tors. theta energy: -11.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -144.392721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.392721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.392721 (E_RNA)
where:
Base-Base interactions energy: -96.484
where: short stacking energy: -35.394
Base-Backbone interact. energy: -0.008
local terms energy: -47.900695
where:
bonds (distance) C4'-P energy: -10.769
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -11.813
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -5.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -136.026151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.026151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.026151 (E_RNA)
where:
Base-Base interactions energy: -82.322
where: short stacking energy: -35.410
Base-Backbone interact. energy: -0.711
local terms energy: -52.992903
where:
bonds (distance) C4'-P energy: -10.206
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -10.142
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -12.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -82.193539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.193539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.193539 (E_RNA)
where:
Base-Base interactions energy: -39.310
where: short stacking energy: -10.685
Base-Backbone interact. energy: -1.089
local terms energy: -41.794687
where:
bonds (distance) C4'-P energy: -10.213
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -2.171
tors. eta vs tors. theta energy: -3.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -64.170452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.170452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.170452 (E_RNA)
where:
Base-Base interactions energy: -19.906
where: short stacking energy: -17.993
Base-Backbone interact. energy: -0.064
local terms energy: -44.200344
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -8.507
flat angles C4'-P-C4' energy: -8.488
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -4.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -117.575280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.575280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.575280 (E_RNA)
where:
Base-Base interactions energy: -68.763
where: short stacking energy: -20.065
Base-Backbone interact. energy: -0.075
local terms energy: -48.736752
where:
bonds (distance) C4'-P energy: -8.963
bonds (distance) P-C4' energy: -11.503
flat angles C4'-P-C4' energy: -11.220
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -7.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -78.587830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.587830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.587830 (E_RNA)
where:
Base-Base interactions energy: -33.549
where: short stacking energy: -11.582
Base-Backbone interact. energy: -0.023
local terms energy: -45.016313
where:
bonds (distance) C4'-P energy: -9.410
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -4.772
tors. eta vs tors. theta energy: -5.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -62.079417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.079417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.079417 (E_RNA)
where:
Base-Base interactions energy: -22.329
where: short stacking energy: -21.863
Base-Backbone interact. energy: -0.183
local terms energy: -39.567236
where:
bonds (distance) C4'-P energy: -10.705
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -8.427
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: 0.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -155.437795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.437795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.437795 (E_RNA)
where:
Base-Base interactions energy: -100.902
where: short stacking energy: -36.491
Base-Backbone interact. energy: -0.242
local terms energy: -54.293902
where:
bonds (distance) C4'-P energy: -11.021
bonds (distance) P-C4' energy: -10.777
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -7.230
tors. eta vs tors. theta energy: -12.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -139.086324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.086324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.086324 (E_RNA)
where:
Base-Base interactions energy: -87.044
where: short stacking energy: -27.404
Base-Backbone interact. energy: -0.158
local terms energy: -51.885096
where:
bonds (distance) C4'-P energy: -9.072
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -11.150
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -7.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -146.316585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.316585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.316585 (E_RNA)
where:
Base-Base interactions energy: -92.852
where: short stacking energy: -35.826
Base-Backbone interact. energy: -0.115
local terms energy: -53.348748
where:
bonds (distance) C4'-P energy: -12.809
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -8.105
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -7.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -143.215948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.215948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.215948 (E_RNA)
where:
Base-Base interactions energy: -97.147
where: short stacking energy: -47.444
Base-Backbone interact. energy: -0.173
local terms energy: -45.895572
where:
bonds (distance) C4'-P energy: -6.733
bonds (distance) P-C4' energy: -10.003
flat angles C4'-P-C4' energy: -10.306
flat angles P-C4'-P energy: -4.653
tors. eta vs tors. theta energy: -14.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -93.217191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.217191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.217191 (E_RNA)
where:
Base-Base interactions energy: -51.952
where: short stacking energy: -21.120
Base-Backbone interact. energy: -0.021
local terms energy: -41.244206
where:
bonds (distance) C4'-P energy: -10.884
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -3.324
tors. eta vs tors. theta energy: -2.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -129.440794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.440794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.440794 (E_RNA)
where:
Base-Base interactions energy: -82.887
where: short stacking energy: -30.771
Base-Backbone interact. energy: 0.261
local terms energy: -46.814213
where:
bonds (distance) C4'-P energy: -6.956
bonds (distance) P-C4' energy: -11.647
flat angles C4'-P-C4' energy: -10.409
flat angles P-C4'-P energy: -5.847
tors. eta vs tors. theta energy: -11.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -106.042249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.042249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.042249 (E_RNA)
where:
Base-Base interactions energy: -63.132
where: short stacking energy: -19.628
Base-Backbone interact. energy: -0.131
local terms energy: -42.778958
where:
bonds (distance) C4'-P energy: -11.058
bonds (distance) P-C4' energy: -9.896
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -2.763
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: 8, replica: 7
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -57.486800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.486800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.486800 (E_RNA)
where:
Base-Base interactions energy: -15.414
where: short stacking energy: -14.065
Base-Backbone interact. energy: -0.127
local terms energy: -41.945101
where:
bonds (distance) C4'-P energy: -8.379
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -4.656
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: 3
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -59.549728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.549728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.549728 (E_RNA)
where:
Base-Base interactions energy: -18.811
where: short stacking energy: -16.238
Base-Backbone interact. energy: -0.068
local terms energy: -40.671551
where:
bonds (distance) C4'-P energy: -9.211
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -11.572
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: 0.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -62.371850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.371850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.371850 (E_RNA)
where:
Base-Base interactions energy: -16.930
where: short stacking energy: -9.606
Base-Backbone interact. energy: -0.132
local terms energy: -45.309083
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -12.258
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -5.760
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: 1, replica: 4
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -161.863189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.863189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.863189 (E_RNA)
where:
Base-Base interactions energy: -103.707
where: short stacking energy: -36.261
Base-Backbone interact. energy: -1.192
local terms energy: -56.963916
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -8.894
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: 2, replica: 1
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -150.635455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.635455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.635455 (E_RNA)
where:
Base-Base interactions energy: -99.654
where: short stacking energy: -33.371
Base-Backbone interact. energy: -0.017
local terms energy: -50.964779
where:
bonds (distance) C4'-P energy: -11.348
bonds (distance) P-C4' energy: -8.588
flat angles C4'-P-C4' energy: -11.473
flat angles P-C4'-P energy: -7.013
tors. eta vs tors. theta energy: -12.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -139.007843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.007843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.007843 (E_RNA)
where:
Base-Base interactions energy: -92.637
where: short stacking energy: -36.808
Base-Backbone interact. energy: -0.099
local terms energy: -46.271806
where:
bonds (distance) C4'-P energy: -11.156
bonds (distance) P-C4' energy: -10.772
flat angles C4'-P-C4' energy: -8.730
flat angles P-C4'-P energy: -3.597
tors. eta vs tors. theta energy: -12.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -130.883547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.883547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.883547 (E_RNA)
where:
Base-Base interactions energy: -79.466
where: short stacking energy: -38.888
Base-Backbone interact. energy: -0.004
local terms energy: -51.413670
where:
bonds (distance) C4'-P energy: -12.238
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -10.383
flat angles P-C4'-P energy: -4.483
tors. eta vs tors. theta energy: -12.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -130.742265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.742265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.742265 (E_RNA)
where:
Base-Base interactions energy: -83.070
where: short stacking energy: -36.932
Base-Backbone interact. energy: 0.208
local terms energy: -47.880041
where:
bonds (distance) C4'-P energy: -8.524
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -10.974
flat angles P-C4'-P energy: -4.186
tors. eta vs tors. theta energy: -11.773
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: 6, replica: 2
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -82.029406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.029406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.029406 (E_RNA)
where:
Base-Base interactions energy: -42.786
where: short stacking energy: -13.813
Base-Backbone interact. energy: -0.400
local terms energy: -38.842732
where:
bonds (distance) C4'-P energy: -7.122
bonds (distance) P-C4' energy: -8.129
flat angles C4'-P-C4' energy: -10.292
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -4.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -126.516947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.516947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.516947 (E_RNA)
where:
Base-Base interactions energy: -73.924
where: short stacking energy: -32.765
Base-Backbone interact. energy: -0.066
local terms energy: -52.526478
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -9.528
flat angles P-C4'-P energy: -8.103
tors. eta vs tors. theta energy: -10.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -71.951938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.951938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.951938 (E_RNA)
where:
Base-Base interactions energy: -29.520
where: short stacking energy: -19.668
Base-Backbone interact. energy: -0.153
local terms energy: -42.278665
where:
bonds (distance) C4'-P energy: -9.239
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -9.294
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: -3.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -78.336588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.336588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.336588 (E_RNA)
where:
Base-Base interactions energy: -40.707
where: short stacking energy: -18.837
Base-Backbone interact. energy: -0.192
local terms energy: -37.437890
where:
bonds (distance) C4'-P energy: -7.526
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -1.818
tors. eta vs tors. theta energy: -2.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -65.854939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.854939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.854939 (E_RNA)
where:
Base-Base interactions energy: -30.963
where: short stacking energy: -16.563
Base-Backbone interact. energy: -0.221
local terms energy: -34.671474
where:
bonds (distance) C4'-P energy: -2.397
bonds (distance) P-C4' energy: -9.591
flat angles C4'-P-C4' energy: -10.040
flat angles P-C4'-P energy: -7.122
tors. eta vs tors. theta energy: -5.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -157.232003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.232003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.232003 (E_RNA)
where:
Base-Base interactions energy: -101.787
where: short stacking energy: -37.999
Base-Backbone interact. energy: 0.924
local terms energy: -56.369501
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -11.759
flat angles C4'-P-C4' energy: -11.355
flat angles P-C4'-P energy: -9.022
tors. eta vs tors. theta energy: -11.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -152.345284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.345284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.345284 (E_RNA)
where:
Base-Base interactions energy: -96.917
where: short stacking energy: -41.442
Base-Backbone interact. energy: -0.936
local terms energy: -54.492896
where:
bonds (distance) C4'-P energy: -10.350
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -10.268
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -11.207
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: 10
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -144.315080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.315080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.315080 (E_RNA)
where:
Base-Base interactions energy: -92.929
where: short stacking energy: -35.240
Base-Backbone interact. energy: -0.000
local terms energy: -51.386035
where:
bonds (distance) C4'-P energy: -8.412
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -11.033
flat angles P-C4'-P energy: -4.951
tors. eta vs tors. theta energy: -14.225
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: 156
Temperature: 1.050000
Total energy: -133.887745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.887745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.887745 (E_RNA)
where:
Base-Base interactions energy: -79.477
where: short stacking energy: -36.346
Base-Backbone interact. energy: -0.028
local terms energy: -54.382984
where:
bonds (distance) C4'-P energy: -11.435
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -5.685
tors. eta vs tors. theta energy: -10.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -122.697859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.697859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.697859 (E_RNA)
where:
Base-Base interactions energy: -74.309
where: short stacking energy: -32.231
Base-Backbone interact. energy: -0.209
local terms energy: -48.179914
where:
bonds (distance) C4'-P energy: -11.534
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -10.478
flat angles P-C4'-P energy: -3.796
tors. eta vs tors. theta energy: -9.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -73.175082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.175082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.175082 (E_RNA)
where:
Base-Base interactions energy: -28.683
where: short stacking energy: -11.834
Base-Backbone interact. energy: -0.061
local terms energy: -44.431003
where:
bonds (distance) C4'-P energy: -13.869
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -7.308
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -2.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -119.271645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.271645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.271645 (E_RNA)
where:
Base-Base interactions energy: -72.546
where: short stacking energy: -26.606
Base-Backbone interact. energy: -0.071
local terms energy: -46.654667
where:
bonds (distance) C4'-P energy: -8.326
bonds (distance) P-C4' energy: -11.589
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -7.928
tors. eta vs tors. theta energy: -6.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -61.808469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.808469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.808469 (E_RNA)
where:
Base-Base interactions energy: -18.372
where: short stacking energy: -18.372
Base-Backbone interact. energy: -0.091
local terms energy: -43.345314
where:
bonds (distance) C4'-P energy: -10.379
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -9.138
flat angles P-C4'-P energy: -7.207
tors. eta vs tors. theta energy: -2.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -57.847143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.847143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.847143 (E_RNA)
where:
Base-Base interactions energy: -18.499
where: short stacking energy: -11.268
Base-Backbone interact. energy: -0.430
local terms energy: -38.918588
where:
bonds (distance) C4'-P energy: -10.586
bonds (distance) P-C4' energy: -12.360
flat angles C4'-P-C4' energy: -12.794
flat angles P-C4'-P energy: -6.563
tors. eta vs tors. theta energy: 3.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -77.772101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.772101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.772101 (E_RNA)
where:
Base-Base interactions energy: -43.018
where: short stacking energy: -13.982
Base-Backbone interact. energy: -0.007
local terms energy: -34.747040
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -5.232
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: 2.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -141.573393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.573393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.573393 (E_RNA)
where:
Base-Base interactions energy: -88.760
where: short stacking energy: -40.243
Base-Backbone interact. energy: -0.085
local terms energy: -52.728703
where:
bonds (distance) C4'-P energy: -9.232
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -9.743
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -12.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -136.151966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.151966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.151966 (E_RNA)
where:
Base-Base interactions energy: -96.666
where: short stacking energy: -32.853
Base-Backbone interact. energy: -0.057
local terms energy: -39.429178
where:
bonds (distance) C4'-P energy: -9.087
bonds (distance) P-C4' energy: -11.332
flat angles C4'-P-C4' energy: -6.277
flat angles P-C4'-P energy: -2.805
tors. eta vs tors. theta energy: -9.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -141.733077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.733077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.733077 (E_RNA)
where:
Base-Base interactions energy: -89.088
where: short stacking energy: -38.762
Base-Backbone interact. energy: -0.429
local terms energy: -52.216678
where:
bonds (distance) C4'-P energy: -9.977
bonds (distance) P-C4' energy: -10.235
flat angles C4'-P-C4' energy: -9.939
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -11.612
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: 9
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -128.651244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.651244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.651244 (E_RNA)
where:
Base-Base interactions energy: -79.399
where: short stacking energy: -34.107
Base-Backbone interact. energy: -0.021
local terms energy: -49.230329
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -8.265
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: -9.163
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: 5, replica: 6
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -128.088125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.088125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.088125 (E_RNA)
where:
Base-Base interactions energy: -76.576
where: short stacking energy: -35.886
Base-Backbone interact. energy: -0.001
local terms energy: -51.510996
where:
bonds (distance) C4'-P energy: -10.209
bonds (distance) P-C4' energy: -11.079
flat angles C4'-P-C4' energy: -10.219
flat angles P-C4'-P energy: -7.744
tors. eta vs tors. theta energy: -12.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -120.965613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.965613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.965613 (E_RNA)
where:
Base-Base interactions energy: -72.476
where: short stacking energy: -27.169
Base-Backbone interact. energy: -0.222
local terms energy: -48.267899
where:
bonds (distance) C4'-P energy: -11.451
bonds (distance) P-C4' energy: -11.567
flat angles C4'-P-C4' energy: -11.806
flat angles P-C4'-P energy: -6.390
tors. eta vs tors. theta energy: -7.055
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: 7, replica: 2
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -61.622450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.622450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.622450 (E_RNA)
where:
Base-Base interactions energy: -29.514
where: short stacking energy: -11.384
Base-Backbone interact. energy: -0.216
local terms energy: -31.892596
where:
bonds (distance) C4'-P energy: -9.624
bonds (distance) P-C4' energy: -9.147
flat angles C4'-P-C4' energy: -5.835
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: 1.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -58.038550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.038550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.038550 (E_RNA)
where:
Base-Base interactions energy: -22.905
where: short stacking energy: -18.104
Base-Backbone interact. energy: -0.196
local terms energy: -34.938170
where:
bonds (distance) C4'-P energy: -9.163
bonds (distance) P-C4' energy: -10.979
flat angles C4'-P-C4' energy: -10.157
flat angles P-C4'-P energy: -6.782
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: 9, replica: 3
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -62.387324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.387324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.387324 (E_RNA)
where:
Base-Base interactions energy: -20.267
where: short stacking energy: -15.813
Base-Backbone interact. energy: -0.402
local terms energy: -41.718045
where:
bonds (distance) C4'-P energy: -11.186
bonds (distance) P-C4' energy: -10.141
flat angles C4'-P-C4' energy: -11.423
flat angles P-C4'-P energy: -5.534
tors. eta vs tors. theta energy: -3.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -59.325955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.325955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.325955 (E_RNA)
where:
Base-Base interactions energy: -25.271
where: short stacking energy: -21.059
Base-Backbone interact. energy: -0.133
local terms energy: -33.922565
where:
bonds (distance) C4'-P energy: -9.170
bonds (distance) P-C4' energy: -10.849
flat angles C4'-P-C4' energy: -11.029
flat angles P-C4'-P energy: 0.356
tors. eta vs tors. theta energy: -3.230
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: 1
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -148.347470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.347470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.347470 (E_RNA)
where:
Base-Base interactions energy: -98.556
where: short stacking energy: -35.713
Base-Backbone interact. energy: -0.498
local terms energy: -49.293057
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -11.851
flat angles C4'-P-C4' energy: -8.821
flat angles P-C4'-P energy: -6.437
tors. eta vs tors. theta energy: -9.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -145.951873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.951873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.951873 (E_RNA)
where:
Base-Base interactions energy: -100.438
where: short stacking energy: -40.561
Base-Backbone interact. energy: -0.046
local terms energy: -45.467566
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -9.938
flat angles P-C4'-P energy: -3.284
tors. eta vs tors. theta energy: -10.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -147.149023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.149023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.149023 (E_RNA)
where:
Base-Base interactions energy: -97.726
where: short stacking energy: -32.748
Base-Backbone interact. energy: -0.007
local terms energy: -49.415963
where:
bonds (distance) C4'-P energy: -8.643
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -7.007
tors. eta vs tors. theta energy: -10.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -127.801357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.801357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.801357 (E_RNA)
where:
Base-Base interactions energy: -74.179
where: short stacking energy: -32.585
Base-Backbone interact. energy: -0.001
local terms energy: -53.621896
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -10.384
flat angles P-C4'-P energy: -8.724
tors. eta vs tors. theta energy: -11.074
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: 6
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -138.792271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.792271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.792271 (E_RNA)
where:
Base-Base interactions energy: -88.877
where: short stacking energy: -28.491
Base-Backbone interact. energy: 0.314
local terms energy: -50.229495
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -9.792
flat angles C4'-P-C4' energy: -11.687
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -6.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -88.417356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.417356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.417356 (E_RNA)
where:
Base-Base interactions energy: -36.788
where: short stacking energy: -23.720
Base-Backbone interact. energy: -0.135
local terms energy: -51.494231
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -12.053
flat angles C4'-P-C4' energy: -11.465
flat angles P-C4'-P energy: -9.930
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: 7, replica: 2
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -77.125967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.125967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.125967 (E_RNA)
where:
Base-Base interactions energy: -27.916
where: short stacking energy: -17.783
Base-Backbone interact. energy: -0.180
local terms energy: -49.030096
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -10.494
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: -5.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -65.098189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.098189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.098189 (E_RNA)
where:
Base-Base interactions energy: -23.778
where: short stacking energy: -16.235
Base-Backbone interact. energy: 0.011
local terms energy: -41.330764
where:
bonds (distance) C4'-P energy: -9.133
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -8.033
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -4.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -69.993684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.993684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.993684 (E_RNA)
where:
Base-Base interactions energy: -31.992
where: short stacking energy: -22.096
Base-Backbone interact. energy: -0.408
local terms energy: -37.593220
where:
bonds (distance) C4'-P energy: -9.526
bonds (distance) P-C4' energy: -9.870
flat angles C4'-P-C4' energy: -7.620
flat angles P-C4'-P energy: -5.363
tors. eta vs tors. theta energy: -5.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -62.450291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.450291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.450291 (E_RNA)
where:
Base-Base interactions energy: -27.523
where: short stacking energy: -12.134
Base-Backbone interact. energy: -0.110
local terms energy: -34.817243
where:
bonds (distance) C4'-P energy: -10.909
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -9.899
flat angles P-C4'-P energy: -6.135
tors. eta vs tors. theta energy: 5.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -158.264047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.264047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.264047 (E_RNA)
where:
Base-Base interactions energy: -109.617
where: short stacking energy: -38.838
Base-Backbone interact. energy: -0.015
local terms energy: -48.632410
where:
bonds (distance) C4'-P energy: -9.396
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -4.902
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -11.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -152.848854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.848854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.848854 (E_RNA)
where:
Base-Base interactions energy: -102.378
where: short stacking energy: -37.869
Base-Backbone interact. energy: -0.037
local terms energy: -50.433684
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -11.130
flat angles C4'-P-C4' energy: -10.740
flat angles P-C4'-P energy: -4.818
tors. eta vs tors. theta energy: -10.030
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: 4
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -143.068905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.068905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.068905 (E_RNA)
where:
Base-Base interactions energy: -92.949
where: short stacking energy: -36.590
Base-Backbone interact. energy: -0.009
local terms energy: -50.110473
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -12.227
flat angles C4'-P-C4' energy: -10.358
flat angles P-C4'-P energy: -4.543
tors. eta vs tors. theta energy: -10.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -136.012388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.012388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.012388 (E_RNA)
where:
Base-Base interactions energy: -85.248
where: short stacking energy: -37.379
Base-Backbone interact. energy: -0.327
local terms energy: -50.436693
where:
bonds (distance) C4'-P energy: -9.683
bonds (distance) P-C4' energy: -9.860
flat angles C4'-P-C4' energy: -9.974
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -13.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -126.704764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.704764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.704764 (E_RNA)
where:
Base-Base interactions energy: -71.215
where: short stacking energy: -27.897
Base-Backbone interact. energy: -0.166
local terms energy: -55.324549
where:
bonds (distance) C4'-P energy: -11.757
bonds (distance) P-C4' energy: -11.155
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -10.516
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: 2
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -67.341464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.341464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.341464 (E_RNA)
where:
Base-Base interactions energy: -27.276
where: short stacking energy: -27.376
Base-Backbone interact. energy: -0.188
local terms energy: -39.877357
where:
bonds (distance) C4'-P energy: -8.579
bonds (distance) P-C4' energy: -9.492
flat angles C4'-P-C4' energy: -10.464
flat angles P-C4'-P energy: -4.899
tors. eta vs tors. theta energy: -6.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -75.988990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.988990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.988990 (E_RNA)
where:
Base-Base interactions energy: -34.810
where: short stacking energy: -16.341
Base-Backbone interact. energy: -0.340
local terms energy: -40.839165
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -12.896
flat angles C4'-P-C4' energy: -11.237
flat angles P-C4'-P energy: -4.012
tors. eta vs tors. theta energy: -0.559
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: 8
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -63.660524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.660524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.660524 (E_RNA)
where:
Base-Base interactions energy: -27.732
where: short stacking energy: -15.038
Base-Backbone interact. energy: -1.199
local terms energy: -34.729489
where:
bonds (distance) C4'-P energy: -10.043
bonds (distance) P-C4' energy: -6.299
flat angles C4'-P-C4' energy: -10.731
flat angles P-C4'-P energy: -5.189
tors. eta vs tors. theta energy: -2.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -59.651564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.651564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.651564 (E_RNA)
where:
Base-Base interactions energy: -23.064
where: short stacking energy: -18.639
Base-Backbone interact. energy: -0.252
local terms energy: -36.335898
where:
bonds (distance) C4'-P energy: -11.406
bonds (distance) P-C4' energy: -10.213
flat angles C4'-P-C4' energy: -3.931
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -1.175
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: 3
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -56.890700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.890700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.890700 (E_RNA)
where:
Base-Base interactions energy: -23.579
where: short stacking energy: -9.827
Base-Backbone interact. energy: -0.273
local terms energy: -33.038659
where:
bonds (distance) C4'-P energy: -10.666
bonds (distance) P-C4' energy: -11.660
flat angles C4'-P-C4' energy: -10.535
flat angles P-C4'-P energy: -1.761
tors. eta vs tors. theta energy: 1.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -158.040121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.040121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.040121 (E_RNA)
where:
Base-Base interactions energy: -107.735
where: short stacking energy: -35.506
Base-Backbone interact. energy: -0.034
local terms energy: -50.270354
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -6.420
flat angles P-C4'-P energy: -8.050
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: 2, replica: 10
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -142.862858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.862858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.862858 (E_RNA)
where:
Base-Base interactions energy: -95.297
where: short stacking energy: -38.261
Base-Backbone interact. energy: -0.120
local terms energy: -47.446410
where:
bonds (distance) C4'-P energy: -9.771
bonds (distance) P-C4' energy: -11.249
flat angles C4'-P-C4' energy: -8.509
flat angles P-C4'-P energy: -6.210
tors. eta vs tors. theta energy: -11.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -145.771038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.771038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.771038 (E_RNA)
where:
Base-Base interactions energy: -90.937
where: short stacking energy: -40.583
Base-Backbone interact. energy: -1.113
local terms energy: -53.721331
where:
bonds (distance) C4'-P energy: -7.419
bonds (distance) P-C4' energy: -10.176
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -8.839
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: 4, replica: 4
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -129.785975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.785975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.785975 (E_RNA)
where:
Base-Base interactions energy: -79.012
where: short stacking energy: -30.084
Base-Backbone interact. energy: -0.485
local terms energy: -50.288896
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -10.788
flat angles C4'-P-C4' energy: -12.559
flat angles P-C4'-P energy: -6.895
tors. eta vs tors. theta energy: -7.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -114.509851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.509851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.509851 (E_RNA)
where:
Base-Base interactions energy: -71.537
where: short stacking energy: -26.549
Base-Backbone interact. energy: 0.114
local terms energy: -43.086596
where:
bonds (distance) C4'-P energy: -11.344
bonds (distance) P-C4' energy: -10.632
flat angles C4'-P-C4' energy: -8.714
flat angles P-C4'-P energy: -7.425
tors. eta vs tors. theta energy: -4.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -105.541198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.541198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.541198 (E_RNA)
where:
Base-Base interactions energy: -59.949
where: short stacking energy: -28.135
Base-Backbone interact. energy: -0.000
local terms energy: -45.591997
where:
bonds (distance) C4'-P energy: -10.731
bonds (distance) P-C4' energy: -10.326
flat angles C4'-P-C4' energy: -9.346
flat angles P-C4'-P energy: -5.393
tors. eta vs tors. theta energy: -9.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -68.705842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.705842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.705842 (E_RNA)
where:
Base-Base interactions energy: -23.645
where: short stacking energy: -22.975
Base-Backbone interact. energy: -0.239
local terms energy: -44.821972
where:
bonds (distance) C4'-P energy: -5.461
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -11.535
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -4.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -57.793486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.793486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.793486 (E_RNA)
where:
Base-Base interactions energy: -15.463
where: short stacking energy: -15.463
Base-Backbone interact. energy: -1.433
local terms energy: -40.897241
where:
bonds (distance) C4'-P energy: -12.002
bonds (distance) P-C4' energy: -11.238
flat angles C4'-P-C4' energy: -8.547
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: 1.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -59.084979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.084979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.084979 (E_RNA)
where:
Base-Base interactions energy: -20.224
where: short stacking energy: -20.224
Base-Backbone interact. energy: -0.223
local terms energy: -38.637942
where:
bonds (distance) C4'-P energy: -9.109
bonds (distance) P-C4' energy: -10.553
flat angles C4'-P-C4' energy: -10.877
flat angles P-C4'-P energy: -6.000
tors. eta vs tors. theta energy: -2.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -63.550083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.550083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.550083 (E_RNA)
where:
Base-Base interactions energy: -34.203
where: short stacking energy: -22.474
Base-Backbone interact. energy: -0.472
local terms energy: -28.874202
where:
bonds (distance) C4'-P energy: -7.871
bonds (distance) P-C4' energy: -10.120
flat angles C4'-P-C4' energy: -6.700
flat angles P-C4'-P energy: -1.944
tors. eta vs tors. theta energy: -2.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -148.654547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.654547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.654547 (E_RNA)
where:
Base-Base interactions energy: -97.834
where: short stacking energy: -38.553
Base-Backbone interact. energy: -0.051
local terms energy: -50.769027
where:
bonds (distance) C4'-P energy: -12.313
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -7.429
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -12.149
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: 6
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -141.274275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.274275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.274275 (E_RNA)
where:
Base-Base interactions energy: -81.776
where: short stacking energy: -32.478
Base-Backbone interact. energy: -0.001
local terms energy: -59.496821
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -9.563
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -14.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -149.208209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.208209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.208209 (E_RNA)
where:
Base-Base interactions energy: -95.986
where: short stacking energy: -33.460
Base-Backbone interact. energy: -0.336
local terms energy: -52.885920
where:
bonds (distance) C4'-P energy: -13.335
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -10.673
flat angles P-C4'-P energy: -6.406
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: 4, replica: 2
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -126.693159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.693159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.693159 (E_RNA)
where:
Base-Base interactions energy: -73.204
where: short stacking energy: -23.413
Base-Backbone interact. energy: -1.254
local terms energy: -52.235776
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -6.166
tors. eta vs tors. theta energy: -5.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -125.057744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.057744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.057744 (E_RNA)
where:
Base-Base interactions energy: -76.147
where: short stacking energy: -30.777
Base-Backbone interact. energy: -0.017
local terms energy: -48.894093
where:
bonds (distance) C4'-P energy: -8.599
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -8.136
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -11.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -67.402037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.402037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.402037 (E_RNA)
where:
Base-Base interactions energy: -23.605
where: short stacking energy: -19.643
Base-Backbone interact. energy: -0.232
local terms energy: -43.565308
where:
bonds (distance) C4'-P energy: -9.543
bonds (distance) P-C4' energy: -12.255
flat angles C4'-P-C4' energy: -9.339
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -3.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -66.274648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.274648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.274648 (E_RNA)
where:
Base-Base interactions energy: -24.380
where: short stacking energy: -23.642
Base-Backbone interact. energy: -0.120
local terms energy: -41.774662
where:
bonds (distance) C4'-P energy: -8.201
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -8.167
flat angles P-C4'-P energy: -5.744
tors. eta vs tors. theta energy: -5.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -60.110519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.110519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.110519 (E_RNA)
where:
Base-Base interactions energy: -22.430
where: short stacking energy: -14.724
Base-Backbone interact. energy: -0.013
local terms energy: -37.668252
where:
bonds (distance) C4'-P energy: -11.327
bonds (distance) P-C4' energy: -10.145
flat angles C4'-P-C4' energy: -8.220
flat angles P-C4'-P energy: -6.540
tors. eta vs tors. theta energy: -1.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -62.761688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.761688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.761688 (E_RNA)
where:
Base-Base interactions energy: -20.694
where: short stacking energy: -14.139
Base-Backbone interact. energy: -0.041
local terms energy: -42.027287
where:
bonds (distance) C4'-P energy: -11.087
bonds (distance) P-C4' energy: -10.204
flat angles C4'-P-C4' energy: -12.617
flat angles P-C4'-P energy: -5.938
tors. eta vs tors. theta energy: -2.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -55.718244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.718244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.718244 (E_RNA)
where:
Base-Base interactions energy: -17.252
where: short stacking energy: -17.252
Base-Backbone interact. energy: 3.767
local terms energy: -42.233841
where:
bonds (distance) C4'-P energy: -6.339
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -1.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -156.523898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.523898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.523898 (E_RNA)
where:
Base-Base interactions energy: -101.512
where: short stacking energy: -35.621
Base-Backbone interact. energy: -0.166
local terms energy: -54.845891
where:
bonds (distance) C4'-P energy: -9.394
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -5.911
tors. eta vs tors. theta energy: -13.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -136.483199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.483199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.483199 (E_RNA)
where:
Base-Base interactions energy: -91.002
where: short stacking energy: -35.264
Base-Backbone interact. energy: -0.016
local terms energy: -45.465635
where:
bonds (distance) C4'-P energy: -8.289
bonds (distance) P-C4' energy: -9.461
flat angles C4'-P-C4' energy: -8.650
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -8.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -128.337380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.337380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.337380 (E_RNA)
where:
Base-Base interactions energy: -75.472
where: short stacking energy: -41.615
Base-Backbone interact. energy: -0.059
local terms energy: -52.805973
where:
bonds (distance) C4'-P energy: -12.180
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -10.737
flat angles P-C4'-P energy: -7.724
tors. eta vs tors. theta energy: -10.440
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: 10
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -132.267240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.267240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.267240 (E_RNA)
where:
Base-Base interactions energy: -89.609
where: short stacking energy: -34.789
Base-Backbone interact. energy: -0.017
local terms energy: -42.641856
where:
bonds (distance) C4'-P energy: -10.040
bonds (distance) P-C4' energy: -7.145
flat angles C4'-P-C4' energy: -11.445
flat angles P-C4'-P energy: -4.846
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: 5, replica: 4
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -98.601329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.601329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.601329 (E_RNA)
where:
Base-Base interactions energy: -48.557
where: short stacking energy: -26.711
Base-Backbone interact. energy: -0.199
local terms energy: -49.846085
where:
bonds (distance) C4'-P energy: -8.813
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -11.408
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -5.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -81.288385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.288385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.288385 (E_RNA)
where:
Base-Base interactions energy: -36.774
where: short stacking energy: -17.513
Base-Backbone interact. energy: -0.066
local terms energy: -44.448245
where:
bonds (distance) C4'-P energy: -10.349
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -8.049
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -3.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -66.575512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.575512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.575512 (E_RNA)
where:
Base-Base interactions energy: -29.156
where: short stacking energy: -21.207
Base-Backbone interact. energy: -0.178
local terms energy: -37.240609
where:
bonds (distance) C4'-P energy: -12.051
bonds (distance) P-C4' energy: -8.056
flat angles C4'-P-C4' energy: -8.155
flat angles P-C4'-P energy: -5.845
tors. eta vs tors. theta energy: -3.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -61.583718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.583718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.583718 (E_RNA)
where:
Base-Base interactions energy: -30.228
where: short stacking energy: -10.487
Base-Backbone interact. energy: -0.155
local terms energy: -31.200764
where:
bonds (distance) C4'-P energy: -11.112
bonds (distance) P-C4' energy: -11.547
flat angles C4'-P-C4' energy: -7.534
flat angles P-C4'-P energy: -3.852
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: 9, replica: 7
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -70.339887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.339887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.339887 (E_RNA)
where:
Base-Base interactions energy: -30.071
where: short stacking energy: -23.101
Base-Backbone interact. energy: 0.033
local terms energy: -40.301798
where:
bonds (distance) C4'-P energy: -7.721
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -12.464
flat angles P-C4'-P energy: -5.306
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: 5
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -58.869218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.869218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.869218 (E_RNA)
where:
Base-Base interactions energy: -20.398
where: short stacking energy: -20.398
Base-Backbone interact. energy: -0.004
local terms energy: -38.468106
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -9.862
flat angles C4'-P-C4' energy: -4.882
flat angles P-C4'-P energy: -8.157
tors. eta vs tors. theta energy: -4.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -148.088079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.088079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.088079 (E_RNA)
where:
Base-Base interactions energy: -90.519
where: short stacking energy: -42.046
Base-Backbone interact. energy: -0.138
local terms energy: -57.430735
where:
bonds (distance) C4'-P energy: -10.955
bonds (distance) P-C4' energy: -11.699
flat angles C4'-P-C4' energy: -10.540
flat angles P-C4'-P energy: -7.227
tors. eta vs tors. theta energy: -17.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -140.894273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.894273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.894273 (E_RNA)
where:
Base-Base interactions energy: -91.931
where: short stacking energy: -38.108
Base-Backbone interact. energy: -0.002
local terms energy: -48.960844
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -10.047
flat angles C4'-P-C4' energy: -8.841
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -8.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -124.567270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.567270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.567270 (E_RNA)
where:
Base-Base interactions energy: -75.176
where: short stacking energy: -21.963
Base-Backbone interact. energy: -0.082
local terms energy: -49.309243
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -11.671
flat angles P-C4'-P energy: -7.396
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: 4, replica: 10
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -137.305444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.305444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.305444 (E_RNA)
where:
Base-Base interactions energy: -89.639
where: short stacking energy: -27.543
Base-Backbone interact. energy: -0.098
local terms energy: -47.568420
where:
bonds (distance) C4'-P energy: -8.177
bonds (distance) P-C4' energy: -10.816
flat angles C4'-P-C4' energy: -9.329
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -11.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -107.444830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.444830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.444830 (E_RNA)
where:
Base-Base interactions energy: -62.941
where: short stacking energy: -25.095
Base-Backbone interact. energy: -0.081
local terms energy: -44.422392
where:
bonds (distance) C4'-P energy: -10.142
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -8.068
flat angles P-C4'-P energy: -4.745
tors. eta vs tors. theta energy: -8.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -65.065112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.065112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.065112 (E_RNA)
where:
Base-Base interactions energy: -20.994
where: short stacking energy: -20.994
Base-Backbone interact. energy: -0.173
local terms energy: -43.898820
where:
bonds (distance) C4'-P energy: -7.207
bonds (distance) P-C4' energy: -14.221
flat angles C4'-P-C4' energy: -12.318
flat angles P-C4'-P energy: -3.708
tors. eta vs tors. theta energy: -6.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -76.927878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.927878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.927878 (E_RNA)
where:
Base-Base interactions energy: -37.833
where: short stacking energy: -21.638
Base-Backbone interact. energy: 0.564
local terms energy: -39.659342
where:
bonds (distance) C4'-P energy: -6.748
bonds (distance) P-C4' energy: -11.376
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -6.499
tors. eta vs tors. theta energy: -2.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -56.668892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.668892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.668892 (E_RNA)
where:
Base-Base interactions energy: -15.031
where: short stacking energy: -15.237
Base-Backbone interact. energy: -0.217
local terms energy: -41.420870
where:
bonds (distance) C4'-P energy: -12.002
bonds (distance) P-C4' energy: -11.645
flat angles C4'-P-C4' energy: -11.044
flat angles P-C4'-P energy: -7.062
tors. eta vs tors. theta energy: 0.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -65.491299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.491299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.491299 (E_RNA)
where:
Base-Base interactions energy: -27.816
where: short stacking energy: -17.454
Base-Backbone interact. energy: -0.057
local terms energy: -37.618098
where:
bonds (distance) C4'-P energy: -8.793
bonds (distance) P-C4' energy: -10.750
flat angles C4'-P-C4' energy: -11.916
flat angles P-C4'-P energy: -3.600
tors. eta vs tors. theta energy: -2.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -55.096781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.096781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.096781 (E_RNA)
where:
Base-Base interactions energy: -15.552
where: short stacking energy: -15.552
Base-Backbone interact. energy: -0.009
local terms energy: -39.536280
where:
bonds (distance) C4'-P energy: -11.790
bonds (distance) P-C4' energy: -9.364
flat angles C4'-P-C4' energy: -9.604
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: -1.630
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: 1, replica: 1
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -156.291907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.291907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.291907 (E_RNA)
where:
Base-Base interactions energy: -104.660
where: short stacking energy: -48.147
Base-Backbone interact. energy: -0.141
local terms energy: -51.490453
where:
bonds (distance) C4'-P energy: -11.571
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -12.794
flat angles P-C4'-P energy: -6.065
tors. eta vs tors. theta energy: -9.120
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: 6
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -153.767671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.767671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.767671 (E_RNA)
where:
Base-Base interactions energy: -104.956
where: short stacking energy: -33.228
Base-Backbone interact. energy: -0.057
local terms energy: -48.754659
where:
bonds (distance) C4'-P energy: -11.484
bonds (distance) P-C4' energy: -11.409
flat angles C4'-P-C4' energy: -9.515
flat angles P-C4'-P energy: -4.143
tors. eta vs tors. theta energy: -12.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -138.533215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.533215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.533215 (E_RNA)
where:
Base-Base interactions energy: -88.426
where: short stacking energy: -37.652
Base-Backbone interact. energy: -0.023
local terms energy: -50.084143
where:
bonds (distance) C4'-P energy: -9.900
bonds (distance) P-C4' energy: -10.659
flat angles C4'-P-C4' energy: -10.260
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -10.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -116.250227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.250227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.250227 (E_RNA)
where:
Base-Base interactions energy: -73.062
where: short stacking energy: -20.352
Base-Backbone interact. energy: -0.214
local terms energy: -42.975002
where:
bonds (distance) C4'-P energy: -8.921
bonds (distance) P-C4' energy: -9.785
flat angles C4'-P-C4' energy: -6.260
flat angles P-C4'-P energy: -10.582
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: 5, replica: 4
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -126.486657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.486657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.486657 (E_RNA)
where:
Base-Base interactions energy: -78.958
where: short stacking energy: -31.992
Base-Backbone interact. energy: -0.267
local terms energy: -47.262039
where:
bonds (distance) C4'-P energy: -9.217
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -11.127
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -5.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -69.195639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.195639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.195639 (E_RNA)
where:
Base-Base interactions energy: -32.900
where: short stacking energy: -20.678
Base-Backbone interact. energy: -0.006
local terms energy: -36.290045
where:
bonds (distance) C4'-P energy: -6.496
bonds (distance) P-C4' energy: -10.347
flat angles C4'-P-C4' energy: -12.042
flat angles P-C4'-P energy: -7.756
tors. eta vs tors. theta energy: 0.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -68.388924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.388924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.388924 (E_RNA)
where:
Base-Base interactions energy: -22.419
where: short stacking energy: -21.906
Base-Backbone interact. energy: -0.003
local terms energy: -45.967050
where:
bonds (distance) C4'-P energy: -8.656
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -11.192
flat angles P-C4'-P energy: -4.962
tors. eta vs tors. theta energy: -6.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -66.275265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.275265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.275265 (E_RNA)
where:
Base-Base interactions energy: -26.159
where: short stacking energy: -12.551
Base-Backbone interact. energy: -0.422
local terms energy: -39.694471
where:
bonds (distance) C4'-P energy: -9.434
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -9.197
flat angles P-C4'-P energy: -4.320
tors. eta vs tors. theta energy: -4.521
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: 5
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -57.907745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.907745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.907745 (E_RNA)
where:
Base-Base interactions energy: -16.230
where: short stacking energy: -16.230
Base-Backbone interact. energy: -0.016
local terms energy: -41.661875
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -10.006
flat angles P-C4'-P energy: -5.234
tors. eta vs tors. theta energy: -0.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -57.709827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.709827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.709827 (E_RNA)
where:
Base-Base interactions energy: -25.890
where: short stacking energy: -5.869
Base-Backbone interact. energy: -0.108
local terms energy: -31.711788
where:
bonds (distance) C4'-P energy: -9.096
bonds (distance) P-C4' energy: -9.267
flat angles C4'-P-C4' energy: -7.124
flat angles P-C4'-P energy: -7.213
tors. eta vs tors. theta energy: 0.988
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: 1
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -153.520109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.520109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.520109 (E_RNA)
where:
Base-Base interactions energy: -101.811
where: short stacking energy: -45.879
Base-Backbone interact. energy: -0.112
local terms energy: -51.597656
where:
bonds (distance) C4'-P energy: -3.615
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -11.195
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -13.987
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: 165
Temperature: 0.950000
Total energy: -161.942560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.942560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.942560 (E_RNA)
where:
Base-Base interactions energy: -105.785
where: short stacking energy: -40.981
Base-Backbone interact. energy: -0.098
local terms energy: -56.059874
where:
bonds (distance) C4'-P energy: -9.328
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -11.029
flat angles P-C4'-P energy: -8.743
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: 10
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -151.407085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.407085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.407085 (E_RNA)
where:
Base-Base interactions energy: -97.223
where: short stacking energy: -35.214
Base-Backbone interact. energy: -0.136
local terms energy: -54.047962
where:
bonds (distance) C4'-P energy: -12.672
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -9.622
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -11.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -112.757241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.757241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.757241 (E_RNA)
where:
Base-Base interactions energy: -66.637
where: short stacking energy: -32.949
Base-Backbone interact. energy: -0.253
local terms energy: -45.866303
where:
bonds (distance) C4'-P energy: -11.770
bonds (distance) P-C4' energy: -10.151
flat angles C4'-P-C4' energy: -10.518
flat angles P-C4'-P energy: -4.983
tors. eta vs tors. theta energy: -8.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -98.118091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.118091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.118091 (E_RNA)
where:
Base-Base interactions energy: -48.078
where: short stacking energy: -31.453
Base-Backbone interact. energy: -0.042
local terms energy: -49.998521
where:
bonds (distance) C4'-P energy: -10.507
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -13.160
flat angles P-C4'-P energy: -7.613
tors. eta vs tors. theta energy: -5.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -68.930882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.930882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.930882 (E_RNA)
where:
Base-Base interactions energy: -24.369
where: short stacking energy: -12.770
Base-Backbone interact. energy: -0.070
local terms energy: -44.491953
where:
bonds (distance) C4'-P energy: -11.390
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -10.667
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: 1.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -77.394283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.394283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.394283 (E_RNA)
where:
Base-Base interactions energy: -37.557
where: short stacking energy: -16.230
Base-Backbone interact. energy: -0.031
local terms energy: -39.805976
where:
bonds (distance) C4'-P energy: -11.397
bonds (distance) P-C4' energy: -9.685
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -4.349
tors. eta vs tors. theta energy: -3.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -65.692811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.692811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.692811 (E_RNA)
where:
Base-Base interactions energy: -22.934
where: short stacking energy: -14.625
Base-Backbone interact. energy: -0.951
local terms energy: -41.808605
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -5.675
flat angles P-C4'-P energy: -6.503
tors. eta vs tors. theta energy: -2.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -62.166366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.166366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.166366 (E_RNA)
where:
Base-Base interactions energy: -20.500
where: short stacking energy: -11.873
Base-Backbone interact. energy: -0.153
local terms energy: -41.513428
where:
bonds (distance) C4'-P energy: -10.139
bonds (distance) P-C4' energy: -12.517
flat angles C4'-P-C4' energy: -8.322
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: -2.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -78.782760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.782760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.782760 (E_RNA)
where:
Base-Base interactions energy: -45.294
where: short stacking energy: -17.974
Base-Backbone interact. energy: -0.092
local terms energy: -33.397042
where:
bonds (distance) C4'-P energy: -10.113
bonds (distance) P-C4' energy: -8.246
flat angles C4'-P-C4' energy: -9.592
flat angles P-C4'-P energy: -3.660
tors. eta vs tors. theta energy: -1.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -144.252910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.252910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.252910 (E_RNA)
where:
Base-Base interactions energy: -95.209
where: short stacking energy: -39.911
Base-Backbone interact. energy: -0.000
local terms energy: -49.043604
where:
bonds (distance) C4'-P energy: -11.794
bonds (distance) P-C4' energy: -11.228
flat angles C4'-P-C4' energy: -11.397
flat angles P-C4'-P energy: -3.902
tors. eta vs tors. theta energy: -10.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -147.066491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.066491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.066491 (E_RNA)
where:
Base-Base interactions energy: -90.775
where: short stacking energy: -29.729
Base-Backbone interact. energy: -0.388
local terms energy: -55.903660
where:
bonds (distance) C4'-P energy: -12.854
bonds (distance) P-C4' energy: -11.711
flat angles C4'-P-C4' energy: -10.711
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -12.072
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: 3, replica: 10
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -140.053896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.053896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.053896 (E_RNA)
where:
Base-Base interactions energy: -85.873
where: short stacking energy: -42.048
Base-Backbone interact. energy: -0.003
local terms energy: -54.177068
where:
bonds (distance) C4'-P energy: -8.379
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -10.568
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: 166
Temperature: 1.050000
Total energy: -123.057284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.057284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.057284 (E_RNA)
where:
Base-Base interactions energy: -75.738
where: short stacking energy: -28.666
Base-Backbone interact. energy: -0.036
local terms energy: -47.283027
where:
bonds (distance) C4'-P energy: -7.883
bonds (distance) P-C4' energy: -10.990
flat angles C4'-P-C4' energy: -12.144
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -5.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -80.844014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.844014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.844014 (E_RNA)
where:
Base-Base interactions energy: -34.371
where: short stacking energy: -31.551
Base-Backbone interact. energy: -0.093
local terms energy: -46.379912
where:
bonds (distance) C4'-P energy: -10.537
bonds (distance) P-C4' energy: -12.706
flat angles C4'-P-C4' energy: -10.416
flat angles P-C4'-P energy: -5.204
tors. eta vs tors. theta energy: -7.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -74.178226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.178226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.178226 (E_RNA)
where:
Base-Base interactions energy: -30.776
where: short stacking energy: -14.843
Base-Backbone interact. energy: 0.514
local terms energy: -43.916525
where:
bonds (distance) C4'-P energy: -11.699
bonds (distance) P-C4' energy: -11.617
flat angles C4'-P-C4' energy: -9.218
flat angles P-C4'-P energy: -6.133
tors. eta vs tors. theta energy: -5.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -70.935253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.935253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.935253 (E_RNA)
where:
Base-Base interactions energy: -22.493
where: short stacking energy: -17.354
Base-Backbone interact. energy: -0.001
local terms energy: -48.441692
where:
bonds (distance) C4'-P energy: -11.463
bonds (distance) P-C4' energy: -11.618
flat angles C4'-P-C4' energy: -9.105
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -7.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -78.314040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.314040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.314040 (E_RNA)
where:
Base-Base interactions energy: -33.513
where: short stacking energy: -24.589
Base-Backbone interact. energy: -0.421
local terms energy: -44.380293
where:
bonds (distance) C4'-P energy: -10.892
bonds (distance) P-C4' energy: -9.697
flat angles C4'-P-C4' energy: -8.299
flat angles P-C4'-P energy: -6.459
tors. eta vs tors. theta energy: -9.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -58.230494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.230494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.230494 (E_RNA)
where:
Base-Base interactions energy: -27.763
where: short stacking energy: -15.800
Base-Backbone interact. energy: -0.444
local terms energy: -30.023282
where:
bonds (distance) C4'-P energy: -2.831
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -6.755
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: 0.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -68.718998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.718998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.718998 (E_RNA)
where:
Base-Base interactions energy: -30.445
where: short stacking energy: -10.605
Base-Backbone interact. energy: -0.041
local terms energy: -38.233269
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -10.351
flat angles P-C4'-P energy: -5.473
tors. eta vs tors. theta energy: 3.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -148.546536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.546536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.546536 (E_RNA)
where:
Base-Base interactions energy: -103.169
where: short stacking energy: -29.824
Base-Backbone interact. energy: -0.980
local terms energy: -44.398260
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -10.994
flat angles C4'-P-C4' energy: -7.694
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -5.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -144.728878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.728878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.728878 (E_RNA)
where:
Base-Base interactions energy: -94.777
where: short stacking energy: -32.136
Base-Backbone interact. energy: -0.101
local terms energy: -49.850920
where:
bonds (distance) C4'-P energy: -11.542
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -8.522
flat angles P-C4'-P energy: -6.866
tors. eta vs tors. theta energy: -8.221
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: 1
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -150.844365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.844365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.844365 (E_RNA)
where:
Base-Base interactions energy: -99.544
where: short stacking energy: -38.794
Base-Backbone interact. energy: -0.008
local terms energy: -51.292234
where:
bonds (distance) C4'-P energy: -10.098
bonds (distance) P-C4' energy: -10.280
flat angles C4'-P-C4' energy: -11.702
flat angles P-C4'-P energy: -8.916
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: 4, replica: 2
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -139.605572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.605572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.605572 (E_RNA)
where:
Base-Base interactions energy: -91.240
where: short stacking energy: -35.412
Base-Backbone interact. energy: 0.258
local terms energy: -48.623602
where:
bonds (distance) C4'-P energy: -9.423
bonds (distance) P-C4' energy: -11.542
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -6.207
tors. eta vs tors. theta energy: -8.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -90.103350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.103350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.103350 (E_RNA)
where:
Base-Base interactions energy: -50.548
where: short stacking energy: -26.846
Base-Backbone interact. energy: -0.128
local terms energy: -39.427276
where:
bonds (distance) C4'-P energy: -10.343
bonds (distance) P-C4' energy: -6.678
flat angles C4'-P-C4' energy: -9.059
flat angles P-C4'-P energy: -6.888
tors. eta vs tors. theta energy: -6.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -78.174139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.174139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.174139 (E_RNA)
where:
Base-Base interactions energy: -33.921
where: short stacking energy: -24.274
Base-Backbone interact. energy: -0.128
local terms energy: -44.124828
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -10.009
flat angles C4'-P-C4' energy: -12.009
flat angles P-C4'-P energy: -6.309
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: 7, replica: 3
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -66.519592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.519592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.519592 (E_RNA)
where:
Base-Base interactions energy: -21.958
where: short stacking energy: -16.143
Base-Backbone interact. energy: -0.111
local terms energy: -44.450487
where:
bonds (distance) C4'-P energy: -12.167
bonds (distance) P-C4' energy: -10.820
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: 0.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -59.781811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.781811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.781811 (E_RNA)
where:
Base-Base interactions energy: -10.735
where: short stacking energy: -10.735
Base-Backbone interact. energy: -0.016
local terms energy: -49.031014
where:
bonds (distance) C4'-P energy: -11.410
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -12.047
flat angles P-C4'-P energy: -10.689
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: 8
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -65.880881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.880881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.880881 (E_RNA)
where:
Base-Base interactions energy: -29.215
where: short stacking energy: -13.931
Base-Backbone interact. energy: -0.251
local terms energy: -36.415576
where:
bonds (distance) C4'-P energy: -8.735
bonds (distance) P-C4' energy: -8.774
flat angles C4'-P-C4' energy: -12.022
flat angles P-C4'-P energy: -4.843
tors. eta vs tors. theta energy: -2.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -61.298986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.298986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.298986 (E_RNA)
where:
Base-Base interactions energy: -16.038
where: short stacking energy: -16.038
Base-Backbone interact. energy: -0.101
local terms energy: -45.159826
where:
bonds (distance) C4'-P energy: -9.216
bonds (distance) P-C4' energy: -10.602
flat angles C4'-P-C4' energy: -8.736
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -7.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -149.853148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.853148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.853148 (E_RNA)
where:
Base-Base interactions energy: -93.522
where: short stacking energy: -35.962
Base-Backbone interact. energy: -0.019
local terms energy: -56.311420
where:
bonds (distance) C4'-P energy: -11.932
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -8.124
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: 2, replica: 6
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -146.935149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.935149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.935149 (E_RNA)
where:
Base-Base interactions energy: -96.289
where: short stacking energy: -39.172
Base-Backbone interact. energy: -0.119
local terms energy: -50.527141
where:
bonds (distance) C4'-P energy: -8.818
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -7.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -138.941436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.941436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.941436 (E_RNA)
where:
Base-Base interactions energy: -90.785
where: short stacking energy: -31.709
Base-Backbone interact. energy: -0.116
local terms energy: -48.041215
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -10.417
flat angles C4'-P-C4' energy: -9.789
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -7.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -131.818870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.818870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.818870 (E_RNA)
where:
Base-Base interactions energy: -77.084
where: short stacking energy: -37.733
Base-Backbone interact. energy: -0.851
local terms energy: -53.883846
where:
bonds (distance) C4'-P energy: -12.295
bonds (distance) P-C4' energy: -12.639
flat angles C4'-P-C4' energy: -11.025
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: -10.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -88.406115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.406115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.406115 (E_RNA)
where:
Base-Base interactions energy: -40.175
where: short stacking energy: -23.502
Base-Backbone interact. energy: -0.396
local terms energy: -47.835616
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -11.474
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -4.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -80.008040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.008040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.008040 (E_RNA)
where:
Base-Base interactions energy: -48.368
where: short stacking energy: -21.672
Base-Backbone interact. energy: -0.265
local terms energy: -31.374293
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -10.147
flat angles C4'-P-C4' energy: -8.102
flat angles P-C4'-P energy: -0.682
tors. eta vs tors. theta energy: 0.668
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: 3
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -64.129567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.129567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.129567 (E_RNA)
where:
Base-Base interactions energy: -23.017
where: short stacking energy: -16.436
Base-Backbone interact. energy: -0.046
local terms energy: -41.067152
where:
bonds (distance) C4'-P energy: -11.460
bonds (distance) P-C4' energy: -10.836
flat angles C4'-P-C4' energy: -9.138
flat angles P-C4'-P energy: -7.491
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: 8, replica: 9
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -61.877464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.877464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.877464 (E_RNA)
where:
Base-Base interactions energy: -26.381
where: short stacking energy: -14.321
Base-Backbone interact. energy: -0.171
local terms energy: -35.326033
where:
bonds (distance) C4'-P energy: -5.507
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -10.288
flat angles P-C4'-P energy: -7.807
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: 9, replica: 7
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -59.199316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.199316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.199316 (E_RNA)
where:
Base-Base interactions energy: -16.985
where: short stacking energy: -16.728
Base-Backbone interact. energy: -1.145
local terms energy: -41.069515
where:
bonds (distance) C4'-P energy: -9.241
bonds (distance) P-C4' energy: -10.299
flat angles C4'-P-C4' energy: -12.093
flat angles P-C4'-P energy: -8.064
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: 8
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -51.762966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.762966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.762966 (E_RNA)
where:
Base-Base interactions energy: -11.009
where: short stacking energy: -9.927
Base-Backbone interact. energy: -0.285
local terms energy: -40.468765
where:
bonds (distance) C4'-P energy: -11.443
bonds (distance) P-C4' energy: -10.672
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: 2.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -157.706865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.706865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.706865 (E_RNA)
where:
Base-Base interactions energy: -103.928
where: short stacking energy: -38.570
Base-Backbone interact. energy: -0.164
local terms energy: -53.615114
where:
bonds (distance) C4'-P energy: -10.147
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -11.590
flat angles P-C4'-P energy: -8.424
tors. eta vs tors. theta energy: -11.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -149.196365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.196365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.196365 (E_RNA)
where:
Base-Base interactions energy: -95.448
where: short stacking energy: -37.598
Base-Backbone interact. energy: -0.345
local terms energy: -53.402744
where:
bonds (distance) C4'-P energy: -11.025
bonds (distance) P-C4' energy: -11.836
flat angles C4'-P-C4' energy: -12.559
flat angles P-C4'-P energy: -9.262
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: 3, replica: 2
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -144.765396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.765396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.765396 (E_RNA)
where:
Base-Base interactions energy: -95.169
where: short stacking energy: -24.406
Base-Backbone interact. energy: 0.246
local terms energy: -49.842108
where:
bonds (distance) C4'-P energy: -10.831
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -8.374
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -9.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -135.428777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.428777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.428777 (E_RNA)
where:
Base-Base interactions energy: -78.858
where: short stacking energy: -38.563
Base-Backbone interact. energy: -0.123
local terms energy: -56.447880
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -10.642
flat angles P-C4'-P energy: -6.106
tors. eta vs tors. theta energy: -15.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -86.753403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.753403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.753403 (E_RNA)
where:
Base-Base interactions energy: -42.083
where: short stacking energy: -16.759
Base-Backbone interact. energy: -0.205
local terms energy: -44.465906
where:
bonds (distance) C4'-P energy: -9.278
bonds (distance) P-C4' energy: -11.836
flat angles C4'-P-C4' energy: -11.484
flat angles P-C4'-P energy: -8.299
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: 6, replica: 3
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -74.462807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.462807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.462807 (E_RNA)
where:
Base-Base interactions energy: -25.306
where: short stacking energy: -17.617
Base-Backbone interact. energy: -0.192
local terms energy: -48.965670
where:
bonds (distance) C4'-P energy: -14.109
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -10.694
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -1.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -76.346470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.346470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.346470 (E_RNA)
where:
Base-Base interactions energy: -39.050
where: short stacking energy: -14.846
Base-Backbone interact. energy: -0.141
local terms energy: -37.154769
where:
bonds (distance) C4'-P energy: -10.760
bonds (distance) P-C4' energy: -8.671
flat angles C4'-P-C4' energy: -7.968
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: 0.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -71.334231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.334231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.334231 (E_RNA)
where:
Base-Base interactions energy: -26.122
where: short stacking energy: -26.122
Base-Backbone interact. energy: -0.000
local terms energy: -45.212143
where:
bonds (distance) C4'-P energy: -8.478
bonds (distance) P-C4' energy: -10.017
flat angles C4'-P-C4' energy: -11.363
flat angles P-C4'-P energy: -5.191
tors. eta vs tors. theta energy: -10.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -52.454537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.454537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.454537 (E_RNA)
where:
Base-Base interactions energy: -17.943
where: short stacking energy: -10.271
Base-Backbone interact. energy: 1.349
local terms energy: -35.860558
where:
bonds (distance) C4'-P energy: -6.557
bonds (distance) P-C4' energy: -12.525
flat angles C4'-P-C4' energy: -8.635
flat angles P-C4'-P energy: -4.702
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: 10, replica: 8
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -58.525632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.525632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.525632 (E_RNA)
where:
Base-Base interactions energy: -17.764
where: short stacking energy: -17.764
Base-Backbone interact. energy: -0.773
local terms energy: -39.988200
where:
bonds (distance) C4'-P energy: -8.676
bonds (distance) P-C4' energy: -11.421
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -4.646
tors. eta vs tors. theta energy: -3.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -159.805851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.805851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.805851 (E_RNA)
where:
Base-Base interactions energy: -103.324
where: short stacking energy: -39.392
Base-Backbone interact. energy: 0.509
local terms energy: -56.991493
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -11.220
flat angles P-C4'-P energy: -7.321
tors. eta vs tors. theta energy: -12.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -149.403050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.403050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.403050 (E_RNA)
where:
Base-Base interactions energy: -98.218
where: short stacking energy: -32.942
Base-Backbone interact. energy: -0.095
local terms energy: -51.090938
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -9.440
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -7.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -141.264530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.264530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.264530 (E_RNA)
where:
Base-Base interactions energy: -85.309
where: short stacking energy: -41.225
Base-Backbone interact. energy: -0.002
local terms energy: -55.953303
where:
bonds (distance) C4'-P energy: -10.838
bonds (distance) P-C4' energy: -9.942
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -13.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -125.080299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.080299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.080299 (E_RNA)
where:
Base-Base interactions energy: -77.806
where: short stacking energy: -15.615
Base-Backbone interact. energy: -0.071
local terms energy: -47.203284
where:
bonds (distance) C4'-P energy: -13.824
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -10.383
flat angles P-C4'-P energy: -6.107
tors. eta vs tors. theta energy: -5.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -103.236609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.236609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.236609 (E_RNA)
where:
Base-Base interactions energy: -61.590
where: short stacking energy: -25.192
Base-Backbone interact. energy: -0.199
local terms energy: -41.447238
where:
bonds (distance) C4'-P energy: -11.248
bonds (distance) P-C4' energy: -11.602
flat angles C4'-P-C4' energy: -10.312
flat angles P-C4'-P energy: -3.090
tors. eta vs tors. theta energy: -5.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -72.961629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.961629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.961629 (E_RNA)
where:
Base-Base interactions energy: -29.375
where: short stacking energy: -27.312
Base-Backbone interact. energy: 0.593
local terms energy: -44.179944
where:
bonds (distance) C4'-P energy: -7.363
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -11.887
flat angles P-C4'-P energy: -8.117
tors. eta vs tors. theta energy: -4.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -68.222307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.222307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.222307 (E_RNA)
where:
Base-Base interactions energy: -26.605
where: short stacking energy: -26.605
Base-Backbone interact. energy: -0.005
local terms energy: -41.611828
where:
bonds (distance) C4'-P energy: -9.216
bonds (distance) P-C4' energy: -10.225
flat angles C4'-P-C4' energy: -9.990
flat angles P-C4'-P energy: -6.930
tors. eta vs tors. theta energy: -5.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -61.313990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.313990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.313990 (E_RNA)
where:
Base-Base interactions energy: -16.111
where: short stacking energy: -16.111
Base-Backbone interact. energy: -0.259
local terms energy: -44.943728
where:
bonds (distance) C4'-P energy: -12.209
bonds (distance) P-C4' energy: -11.740
flat angles C4'-P-C4' energy: -10.701
flat angles P-C4'-P energy: -7.066
tors. eta vs tors. theta energy: -3.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -58.021232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.021232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.021232 (E_RNA)
where:
Base-Base interactions energy: -20.682
where: short stacking energy: -20.682
Base-Backbone interact. energy: -0.125
local terms energy: -37.214752
where:
bonds (distance) C4'-P energy: -9.088
bonds (distance) P-C4' energy: -8.479
flat angles C4'-P-C4' energy: -8.252
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -3.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -54.476080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.476080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.476080 (E_RNA)
where:
Base-Base interactions energy: -15.083
where: short stacking energy: -15.083
Base-Backbone interact. energy: -0.196
local terms energy: -39.197190
where:
bonds (distance) C4'-P energy: -11.596
bonds (distance) P-C4' energy: -8.763
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -5.736
tors. eta vs tors. theta energy: -0.594
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: 171
Temperature: 0.900000
Total energy: -161.541680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.541680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.541680 (E_RNA)
where:
Base-Base interactions energy: -109.045
where: short stacking energy: -32.131
Base-Backbone interact. energy: -0.024
local terms energy: -52.472002
where:
bonds (distance) C4'-P energy: -10.846
bonds (distance) P-C4' energy: -10.559
flat angles C4'-P-C4' energy: -12.005
flat angles P-C4'-P energy: -7.052
tors. eta vs tors. theta energy: -12.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -149.447864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.447864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.447864 (E_RNA)
where:
Base-Base interactions energy: -97.937
where: short stacking energy: -34.532
Base-Backbone interact. energy: -0.457
local terms energy: -51.054288
where:
bonds (distance) C4'-P energy: -12.722
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -8.024
flat angles P-C4'-P energy: -3.923
tors. eta vs tors. theta energy: -14.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -150.686312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.686312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.686312 (E_RNA)
where:
Base-Base interactions energy: -97.912
where: short stacking energy: -38.833
Base-Backbone interact. energy: -0.077
local terms energy: -52.697408
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -9.993
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -6.286
tors. eta vs tors. theta energy: -11.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -137.178998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.178998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.178998 (E_RNA)
where:
Base-Base interactions energy: -98.871
where: short stacking energy: -31.912
Base-Backbone interact. energy: 1.601
local terms energy: -39.908859
where:
bonds (distance) C4'-P energy: -8.145
bonds (distance) P-C4' energy: -10.689
flat angles C4'-P-C4' energy: -6.133
flat angles P-C4'-P energy: -5.117
tors. eta vs tors. theta energy: -9.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -70.110083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.110083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.110083 (E_RNA)
where:
Base-Base interactions energy: -25.117
where: short stacking energy: -20.620
Base-Backbone interact. energy: -0.349
local terms energy: -44.644566
where:
bonds (distance) C4'-P energy: -13.637
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -10.067
flat angles P-C4'-P energy: -7.137
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: 6, replica: 9
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -67.410901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.410901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.410901 (E_RNA)
where:
Base-Base interactions energy: -32.831
where: short stacking energy: -19.407
Base-Backbone interact. energy: -0.245
local terms energy: -34.334877
where:
bonds (distance) C4'-P energy: -8.996
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -7.598
flat angles P-C4'-P energy: -4.773
tors. eta vs tors. theta energy: -1.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -72.784865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.784865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.784865 (E_RNA)
where:
Base-Base interactions energy: -30.756
where: short stacking energy: -20.149
Base-Backbone interact. energy: -0.294
local terms energy: -41.734980
where:
bonds (distance) C4'-P energy: -8.669
bonds (distance) P-C4' energy: -10.753
flat angles C4'-P-C4' energy: -12.078
flat angles P-C4'-P energy: -6.134
tors. eta vs tors. theta energy: -4.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -66.073465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.073465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.073465 (E_RNA)
where:
Base-Base interactions energy: -21.902
where: short stacking energy: -12.832
Base-Backbone interact. energy: -1.547
local terms energy: -42.625210
where:
bonds (distance) C4'-P energy: -10.354
bonds (distance) P-C4' energy: -8.420
flat angles C4'-P-C4' energy: -8.915
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -4.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -82.242358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.242358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.242358 (E_RNA)
where:
Base-Base interactions energy: -45.715
where: short stacking energy: -21.276
Base-Backbone interact. energy: -0.082
local terms energy: -36.445619
where:
bonds (distance) C4'-P energy: -8.465
bonds (distance) P-C4' energy: -9.528
flat angles C4'-P-C4' energy: -7.693
flat angles P-C4'-P energy: -6.535
tors. eta vs tors. theta energy: -4.225
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: 10, replica: 7
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -67.946392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.946392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.946392 (E_RNA)
where:
Base-Base interactions energy: -33.473
where: short stacking energy: -15.409
Base-Backbone interact. energy: -1.096
local terms energy: -33.377578
where:
bonds (distance) C4'-P energy: -9.861
bonds (distance) P-C4' energy: -9.905
flat angles C4'-P-C4' energy: -10.154
flat angles P-C4'-P energy: -5.513
tors. eta vs tors. theta energy: 2.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -156.704269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.704269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.704269 (E_RNA)
where:
Base-Base interactions energy: -100.044
where: short stacking energy: -31.254
Base-Backbone interact. energy: -0.013
local terms energy: -56.647575
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -5.077
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: 2, replica: 10
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -144.109144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.109144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.109144 (E_RNA)
where:
Base-Base interactions energy: -86.264
where: short stacking energy: -37.483
Base-Backbone interact. energy: -0.354
local terms energy: -57.491527
where:
bonds (distance) C4'-P energy: -12.283
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -10.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -143.570605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.570605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.570605 (E_RNA)
where:
Base-Base interactions energy: -95.444
where: short stacking energy: -37.260
Base-Backbone interact. energy: -0.872
local terms energy: -47.254168
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -10.320
flat angles P-C4'-P energy: -5.874
tors. eta vs tors. theta energy: -6.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -120.928267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.928267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.928267 (E_RNA)
where:
Base-Base interactions energy: -81.233
where: short stacking energy: -31.338
Base-Backbone interact. energy: 0.313
local terms energy: -40.008553
where:
bonds (distance) C4'-P energy: -9.170
bonds (distance) P-C4' energy: -11.041
flat angles C4'-P-C4' energy: -7.765
flat angles P-C4'-P energy: -4.605
tors. eta vs tors. theta energy: -7.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -70.018272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.018272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.018272 (E_RNA)
where:
Base-Base interactions energy: -29.893
where: short stacking energy: -18.914
Base-Backbone interact. energy: -0.102
local terms energy: -40.023176
where:
bonds (distance) C4'-P energy: -10.412
bonds (distance) P-C4' energy: -11.306
flat angles C4'-P-C4' energy: -10.216
flat angles P-C4'-P energy: -7.221
tors. eta vs tors. theta energy: -0.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -66.689462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.689462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.689462 (E_RNA)
where:
Base-Base interactions energy: -23.019
where: short stacking energy: -17.555
Base-Backbone interact. energy: -0.082
local terms energy: -43.588402
where:
bonds (distance) C4'-P energy: -11.443
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -7.054
flat angles P-C4'-P energy: -7.193
tors. eta vs tors. theta energy: -3.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -69.592045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.592045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.592045 (E_RNA)
where:
Base-Base interactions energy: -35.359
where: short stacking energy: -15.388
Base-Backbone interact. energy: -0.128
local terms energy: -34.104546
where:
bonds (distance) C4'-P energy: -9.357
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -6.435
flat angles P-C4'-P energy: -5.985
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: 8, replica: 4
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -83.086363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.086363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.086363 (E_RNA)
where:
Base-Base interactions energy: -43.840
where: short stacking energy: -27.960
Base-Backbone interact. energy: -0.164
local terms energy: -39.082141
where:
bonds (distance) C4'-P energy: -10.797
bonds (distance) P-C4' energy: -10.714
flat angles C4'-P-C4' energy: -8.722
flat angles P-C4'-P energy: -6.318
tors. eta vs tors. theta energy: -2.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -83.996978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.996978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.996978 (E_RNA)
where:
Base-Base interactions energy: -52.492
where: short stacking energy: -26.044
Base-Backbone interact. energy: 0.734
local terms energy: -32.238339
where:
bonds (distance) C4'-P energy: -5.118
bonds (distance) P-C4' energy: -4.012
flat angles C4'-P-C4' energy: -11.765
flat angles P-C4'-P energy: -7.110
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: 10, replica: 7
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -62.444202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.444202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.444202 (E_RNA)
where:
Base-Base interactions energy: -19.659
where: short stacking energy: -9.871
Base-Backbone interact. energy: -0.331
local terms energy: -42.454630
where:
bonds (distance) C4'-P energy: -11.807
bonds (distance) P-C4' energy: -9.387
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -7.693
tors. eta vs tors. theta energy: 0.234
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: 173
Temperature: 0.900000
Total energy: -157.959908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.959908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.959908 (E_RNA)
where:
Base-Base interactions energy: -102.447
where: short stacking energy: -39.572
Base-Backbone interact. energy: -1.608
local terms energy: -53.904447
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -11.943
flat angles C4'-P-C4' energy: -9.569
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -11.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -153.303836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.303836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.303836 (E_RNA)
where:
Base-Base interactions energy: -95.501
where: short stacking energy: -36.702
Base-Backbone interact. energy: -0.001
local terms energy: -57.802036
where:
bonds (distance) C4'-P energy: -13.616
bonds (distance) P-C4' energy: -11.844
flat angles C4'-P-C4' energy: -11.607
flat angles P-C4'-P energy: -7.342
tors. eta vs tors. theta energy: -13.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -141.598222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.598222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.598222 (E_RNA)
where:
Base-Base interactions energy: -88.102
where: short stacking energy: -39.742
Base-Backbone interact. energy: -0.115
local terms energy: -53.381064
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -9.651
flat angles C4'-P-C4' energy: -9.552
flat angles P-C4'-P energy: -7.318
tors. eta vs tors. theta energy: -14.236
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: 2
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -114.698402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.698402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.698402 (E_RNA)
where:
Base-Base interactions energy: -72.484
where: short stacking energy: -24.181
Base-Backbone interact. energy: 0.074
local terms energy: -42.288429
where:
bonds (distance) C4'-P energy: -8.992
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -10.888
flat angles P-C4'-P energy: -4.551
tors. eta vs tors. theta energy: -3.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -99.518560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.518560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.518560 (E_RNA)
where:
Base-Base interactions energy: -48.940
where: short stacking energy: -32.934
Base-Backbone interact. energy: -0.133
local terms energy: -50.446202
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -4.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -126.209137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.209137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.209137 (E_RNA)
where:
Base-Base interactions energy: -72.427
where: short stacking energy: -28.265
Base-Backbone interact. energy: -0.103
local terms energy: -53.679419
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -8.747
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -8.483
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: 7, replica: 9
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -66.932669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.932669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.932669 (E_RNA)
where:
Base-Base interactions energy: -20.630
where: short stacking energy: -8.369
Base-Backbone interact. energy: -0.248
local terms energy: -46.054687
where:
bonds (distance) C4'-P energy: -11.310
bonds (distance) P-C4' energy: -13.917
flat angles C4'-P-C4' energy: -8.777
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -3.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -60.990612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.990612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.990612 (E_RNA)
where:
Base-Base interactions energy: -35.858
where: short stacking energy: -15.416
Base-Backbone interact. energy: -0.126
local terms energy: -25.006172
where:
bonds (distance) C4'-P energy: -5.890
bonds (distance) P-C4' energy: -7.230
flat angles C4'-P-C4' energy: -10.001
flat angles P-C4'-P energy: -6.123
tors. eta vs tors. theta energy: 4.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -67.899100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.899100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.899100 (E_RNA)
where:
Base-Base interactions energy: -24.417
where: short stacking energy: -20.950
Base-Backbone interact. energy: 1.763
local terms energy: -45.244904
where:
bonds (distance) C4'-P energy: -10.549
bonds (distance) P-C4' energy: -11.617
flat angles C4'-P-C4' energy: -8.748
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -3.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -65.324943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.324943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.324943 (E_RNA)
where:
Base-Base interactions energy: -31.466
where: short stacking energy: -14.192
Base-Backbone interact. energy: 1.647
local terms energy: -35.506106
where:
bonds (distance) C4'-P energy: -8.405
bonds (distance) P-C4' energy: -10.985
flat angles C4'-P-C4' energy: -6.461
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -0.847
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: 1, replica: 1
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -160.931577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.931577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.931577 (E_RNA)
where:
Base-Base interactions energy: -104.365
where: short stacking energy: -42.174
Base-Backbone interact. energy: -0.661
local terms energy: -55.905830
where:
bonds (distance) C4'-P energy: -10.781
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -6.497
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: 2, replica: 6
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -140.602745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.602745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.602745 (E_RNA)
where:
Base-Base interactions energy: -90.625
where: short stacking energy: -27.979
Base-Backbone interact. energy: -0.107
local terms energy: -49.871200
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -12.430
flat angles P-C4'-P energy: -6.333
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: 3, replica: 10
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -143.099598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.099598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.099598 (E_RNA)
where:
Base-Base interactions energy: -92.140
where: short stacking energy: -40.172
Base-Backbone interact. energy: -0.015
local terms energy: -50.945137
where:
bonds (distance) C4'-P energy: -10.420
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -3.972
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: 4, replica: 2
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -105.394890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.394890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.394890 (E_RNA)
where:
Base-Base interactions energy: -64.158
where: short stacking energy: -25.650
Base-Backbone interact. energy: -0.040
local terms energy: -41.195982
where:
bonds (distance) C4'-P energy: -10.110
bonds (distance) P-C4' energy: -12.267
flat angles C4'-P-C4' energy: -8.577
flat angles P-C4'-P energy: -7.477
tors. eta vs tors. theta energy: -2.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -135.652470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.652470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.652470 (E_RNA)
where:
Base-Base interactions energy: -88.320
where: short stacking energy: -32.038
Base-Backbone interact. energy: -0.150
local terms energy: -47.182843
where:
bonds (distance) C4'-P energy: -6.968
bonds (distance) P-C4' energy: -10.831
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -7.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -86.348811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.348811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.348811 (E_RNA)
where:
Base-Base interactions energy: -44.341
where: short stacking energy: -23.301
Base-Backbone interact. energy: -0.182
local terms energy: -41.826533
where:
bonds (distance) C4'-P energy: -5.064
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -12.032
flat angles P-C4'-P energy: -5.901
tors. eta vs tors. theta energy: -6.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -66.335734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.335734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.335734 (E_RNA)
where:
Base-Base interactions energy: -20.051
where: short stacking energy: -18.530
Base-Backbone interact. energy: 3.409
local terms energy: -49.693247
where:
bonds (distance) C4'-P energy: -9.390
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -11.442
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -6.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -71.416105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.416105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.416105 (E_RNA)
where:
Base-Base interactions energy: -33.175
where: short stacking energy: -17.986
Base-Backbone interact. energy: -0.167
local terms energy: -38.075021
where:
bonds (distance) C4'-P energy: -10.359
bonds (distance) P-C4' energy: -10.954
flat angles C4'-P-C4' energy: -10.506
flat angles P-C4'-P energy: -4.078
tors. eta vs tors. theta energy: -2.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -73.025219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.025219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.025219 (E_RNA)
where:
Base-Base interactions energy: -29.265
where: short stacking energy: -14.866
Base-Backbone interact. energy: -0.035
local terms energy: -43.725245
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -8.941
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: -2.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -51.469078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.469078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.469078 (E_RNA)
where:
Base-Base interactions energy: -13.107
where: short stacking energy: -11.008
Base-Backbone interact. energy: -0.146
local terms energy: -38.215891
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -4.304
flat angles P-C4'-P energy: -7.630
tors. eta vs tors. theta energy: -0.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -160.793659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.793659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.793659 (E_RNA)
where:
Base-Base interactions energy: -103.541
where: short stacking energy: -43.100
Base-Backbone interact. energy: 0.419
local terms energy: -57.671920
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -11.949
flat angles P-C4'-P energy: -5.483
tors. eta vs tors. theta energy: -12.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -158.207100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.207100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.207100 (E_RNA)
where:
Base-Base interactions energy: -103.674
where: short stacking energy: -44.556
Base-Backbone interact. energy: -0.074
local terms energy: -54.458674
where:
bonds (distance) C4'-P energy: -7.199
bonds (distance) P-C4' energy: -11.811
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -12.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -133.261598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.261598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.261598 (E_RNA)
where:
Base-Base interactions energy: -84.667
where: short stacking energy: -41.878
Base-Backbone interact. energy: -0.720
local terms energy: -47.874485
where:
bonds (distance) C4'-P energy: -6.397
bonds (distance) P-C4' energy: -11.239
flat angles C4'-P-C4' energy: -10.534
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -9.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -139.145276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.145276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.145276 (E_RNA)
where:
Base-Base interactions energy: -86.549
where: short stacking energy: -35.016
Base-Backbone interact. energy: -0.074
local terms energy: -52.522599
where:
bonds (distance) C4'-P energy: -10.309
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -6.830
tors. eta vs tors. theta energy: -9.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -101.732704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.732704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.732704 (E_RNA)
where:
Base-Base interactions energy: -59.615
where: short stacking energy: -23.810
Base-Backbone interact. energy: -0.225
local terms energy: -41.893517
where:
bonds (distance) C4'-P energy: -6.976
bonds (distance) P-C4' energy: -9.563
flat angles C4'-P-C4' energy: -11.807
flat angles P-C4'-P energy: -6.084
tors. eta vs tors. theta energy: -7.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -93.223078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.223078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.223078 (E_RNA)
where:
Base-Base interactions energy: -49.953
where: short stacking energy: -24.924
Base-Backbone interact. energy: 2.048
local terms energy: -45.317823
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -10.789
flat angles C4'-P-C4' energy: -11.378
flat angles P-C4'-P energy: -7.345
tors. eta vs tors. theta energy: -4.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -73.665738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.665738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.665738 (E_RNA)
where:
Base-Base interactions energy: -34.077
where: short stacking energy: -19.435
Base-Backbone interact. energy: -0.026
local terms energy: -39.562833
where:
bonds (distance) C4'-P energy: -11.344
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -7.249
flat angles P-C4'-P energy: -4.216
tors. eta vs tors. theta energy: -3.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -67.835903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.835903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.835903 (E_RNA)
where:
Base-Base interactions energy: -30.364
where: short stacking energy: -10.548
Base-Backbone interact. energy: -0.086
local terms energy: -37.385596
where:
bonds (distance) C4'-P energy: -10.216
bonds (distance) P-C4' energy: -9.506
flat angles C4'-P-C4' energy: -10.068
flat angles P-C4'-P energy: -6.675
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: 9, replica: 9
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -62.844424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.844424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.844424 (E_RNA)
where:
Base-Base interactions energy: -18.323
where: short stacking energy: -18.011
Base-Backbone interact. energy: -0.048
local terms energy: -44.472736
where:
bonds (distance) C4'-P energy: -11.720
bonds (distance) P-C4' energy: -9.070
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -4.442
tors. eta vs tors. theta energy: -7.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -54.236061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.236061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.236061 (E_RNA)
where:
Base-Base interactions energy: -15.937
where: short stacking energy: -15.937
Base-Backbone interact. energy: -0.063
local terms energy: -38.236636
where:
bonds (distance) C4'-P energy: -9.232
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -9.546
flat angles P-C4'-P energy: -1.299
tors. eta vs tors. theta energy: -5.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -146.313865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.313865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.313865 (E_RNA)
where:
Base-Base interactions energy: -95.185
where: short stacking energy: -34.620
Base-Backbone interact. energy: -0.004
local terms energy: -51.124344
where:
bonds (distance) C4'-P energy: -10.340
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -11.467
flat angles P-C4'-P energy: -5.806
tors. eta vs tors. theta energy: -9.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -143.587595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.587595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.587595 (E_RNA)
where:
Base-Base interactions energy: -92.430
where: short stacking energy: -38.156
Base-Backbone interact. energy: -0.006
local terms energy: -51.151509
where:
bonds (distance) C4'-P energy: -7.456
bonds (distance) P-C4' energy: -11.676
flat angles C4'-P-C4' energy: -11.769
flat angles P-C4'-P energy: -6.682
tors. eta vs tors. theta energy: -13.569
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: 3, replica: 5
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -136.922334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.922334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.922334 (E_RNA)
where:
Base-Base interactions energy: -82.767
where: short stacking energy: -33.210
Base-Backbone interact. energy: 0.205
local terms energy: -54.360247
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -11.590
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -7.437
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: 4, replica: 10
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -128.568996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.568996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.568996 (E_RNA)
where:
Base-Base interactions energy: -78.795
where: short stacking energy: -27.346
Base-Backbone interact. energy: -0.037
local terms energy: -49.737608
where:
bonds (distance) C4'-P energy: -11.964
bonds (distance) P-C4' energy: -11.413
flat angles C4'-P-C4' energy: -8.124
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -9.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -110.514442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.514442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.514442 (E_RNA)
where:
Base-Base interactions energy: -72.032
where: short stacking energy: -19.137
Base-Backbone interact. energy: -0.917
local terms energy: -37.565221
where:
bonds (distance) C4'-P energy: -10.243
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -9.716
flat angles P-C4'-P energy: -3.119
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: 6, replica: 2
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -93.510927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.510927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.510927 (E_RNA)
where:
Base-Base interactions energy: -51.353
where: short stacking energy: -23.404
Base-Backbone interact. energy: -0.232
local terms energy: -41.925843
where:
bonds (distance) C4'-P energy: -11.033
bonds (distance) P-C4' energy: -8.718
flat angles C4'-P-C4' energy: -9.623
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -4.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -62.668708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.668708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.668708 (E_RNA)
where:
Base-Base interactions energy: -33.757
where: short stacking energy: -11.680
Base-Backbone interact. energy: -0.094
local terms energy: -28.818088
where:
bonds (distance) C4'-P energy: -9.518
bonds (distance) P-C4' energy: -9.244
flat angles C4'-P-C4' energy: -7.868
flat angles P-C4'-P energy: -4.568
tors. eta vs tors. theta energy: 2.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -65.757132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.757132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.757132 (E_RNA)
where:
Base-Base interactions energy: -29.336
where: short stacking energy: -15.945
Base-Backbone interact. energy: -0.248
local terms energy: -36.172631
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -10.554
flat angles C4'-P-C4' energy: -9.815
flat angles P-C4'-P energy: -5.809
tors. eta vs tors. theta energy: 2.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -68.483850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.483850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.483850 (E_RNA)
where:
Base-Base interactions energy: -28.047
where: short stacking energy: -24.505
Base-Backbone interact. energy: -0.196
local terms energy: -40.240573
where:
bonds (distance) C4'-P energy: -14.109
bonds (distance) P-C4' energy: -8.523
flat angles C4'-P-C4' energy: -9.899
flat angles P-C4'-P energy: -3.974
tors. eta vs tors. theta energy: -3.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -64.525269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.525269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.525269 (E_RNA)
where:
Base-Base interactions energy: -24.190
where: short stacking energy: -15.391
Base-Backbone interact. energy: -0.078
local terms energy: -40.256453
where:
bonds (distance) C4'-P energy: -12.350
bonds (distance) P-C4' energy: -9.610
flat angles C4'-P-C4' energy: -10.079
flat angles P-C4'-P energy: -5.830
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: 1, replica: 1
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -161.931843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.931843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.931843 (E_RNA)
where:
Base-Base interactions energy: -112.017
where: short stacking energy: -34.714
Base-Backbone interact. energy: -0.202
local terms energy: -49.712527
where:
bonds (distance) C4'-P energy: -11.518
bonds (distance) P-C4' energy: -11.731
flat angles C4'-P-C4' energy: -9.267
flat angles P-C4'-P energy: -7.266
tors. eta vs tors. theta energy: -9.930
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: 5
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -148.733495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.733495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.733495 (E_RNA)
where:
Base-Base interactions energy: -101.357
where: short stacking energy: -32.800
Base-Backbone interact. energy: -0.150
local terms energy: -47.225539
where:
bonds (distance) C4'-P energy: -7.762
bonds (distance) P-C4' energy: -10.215
flat angles C4'-P-C4' energy: -12.832
flat angles P-C4'-P energy: -4.124
tors. eta vs tors. theta energy: -12.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -144.452586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.452586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.452586 (E_RNA)
where:
Base-Base interactions energy: -93.021
where: short stacking energy: -37.718
Base-Backbone interact. energy: -0.100
local terms energy: -51.331646
where:
bonds (distance) C4'-P energy: -10.562
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -11.127
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -8.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -136.719775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.719775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.719775 (E_RNA)
where:
Base-Base interactions energy: -86.115
where: short stacking energy: -33.983
Base-Backbone interact. energy: -0.034
local terms energy: -50.570316
where:
bonds (distance) C4'-P energy: -9.228
bonds (distance) P-C4' energy: -11.461
flat angles C4'-P-C4' energy: -11.201
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -10.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -81.042637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.042637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.042637 (E_RNA)
where:
Base-Base interactions energy: -38.907
where: short stacking energy: -25.200
Base-Backbone interact. energy: -0.000
local terms energy: -42.134787
where:
bonds (distance) C4'-P energy: -9.567
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -9.874
flat angles P-C4'-P energy: -6.126
tors. eta vs tors. theta energy: -4.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -90.567264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.567264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.567264 (E_RNA)
where:
Base-Base interactions energy: -48.817
where: short stacking energy: -15.196
Base-Backbone interact. energy: -0.376
local terms energy: -41.374550
where:
bonds (distance) C4'-P energy: -9.588
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -8.713
flat angles P-C4'-P energy: -7.405
tors. eta vs tors. theta energy: -3.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -78.181943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.181943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.181943 (E_RNA)
where:
Base-Base interactions energy: -36.468
where: short stacking energy: -22.454
Base-Backbone interact. energy: -1.220
local terms energy: -40.493715
where:
bonds (distance) C4'-P energy: -9.478
bonds (distance) P-C4' energy: -8.880
flat angles C4'-P-C4' energy: -10.924
flat angles P-C4'-P energy: -3.301
tors. eta vs tors. theta energy: -7.911
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: 177
Temperature: 1.250000
Total energy: -56.583947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.583947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.583947 (E_RNA)
where:
Base-Base interactions energy: -12.989
where: short stacking energy: -12.315
Base-Backbone interact. energy: -0.454
local terms energy: -43.140837
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -9.431
flat angles P-C4'-P energy: -7.892
tors. eta vs tors. theta energy: -0.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -56.930773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.930773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.930773 (E_RNA)
where:
Base-Base interactions energy: -14.367
where: short stacking energy: -14.367
Base-Backbone interact. energy: -0.027
local terms energy: -42.536196
where:
bonds (distance) C4'-P energy: -11.368
bonds (distance) P-C4' energy: -9.783
flat angles C4'-P-C4' energy: -7.893
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -3.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -71.379842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.379842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.379842 (E_RNA)
where:
Base-Base interactions energy: -32.255
where: short stacking energy: -18.069
Base-Backbone interact. energy: -0.047
local terms energy: -39.077653
where:
bonds (distance) C4'-P energy: -8.434
bonds (distance) P-C4' energy: -10.356
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -2.700
tors. eta vs tors. theta energy: -4.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -165.014093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.014093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.014093 (E_RNA)
where:
Base-Base interactions energy: -114.000
where: short stacking energy: -42.912
Base-Backbone interact. energy: -0.099
local terms energy: -50.915259
where:
bonds (distance) C4'-P energy: -11.410
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -4.817
tors. eta vs tors. theta energy: -8.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -151.728950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.728950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.728950 (E_RNA)
where:
Base-Base interactions energy: -99.941
where: short stacking energy: -34.376
Base-Backbone interact. energy: -0.042
local terms energy: -51.746035
where:
bonds (distance) C4'-P energy: -10.375
bonds (distance) P-C4' energy: -12.633
flat angles C4'-P-C4' energy: -12.219
flat angles P-C4'-P energy: -6.278
tors. eta vs tors. theta energy: -10.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -131.599286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.599286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.599286 (E_RNA)
where:
Base-Base interactions energy: -88.370
where: short stacking energy: -36.715
Base-Backbone interact. energy: -0.025
local terms energy: -43.204135
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -3.573
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -6.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -139.097811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.097811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.097811 (E_RNA)
where:
Base-Base interactions energy: -85.860
where: short stacking energy: -43.745
Base-Backbone interact. energy: -0.057
local terms energy: -53.181440
where:
bonds (distance) C4'-P energy: -13.016
bonds (distance) P-C4' energy: -11.219
flat angles C4'-P-C4' energy: -9.779
flat angles P-C4'-P energy: -6.710
tors. eta vs tors. theta energy: -12.458
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: 8
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -82.506061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.506061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.506061 (E_RNA)
where:
Base-Base interactions energy: -43.555
where: short stacking energy: -23.435
Base-Backbone interact. energy: -0.087
local terms energy: -38.863632
where:
bonds (distance) C4'-P energy: -12.387
bonds (distance) P-C4' energy: -7.340
flat angles C4'-P-C4' energy: -8.464
flat angles P-C4'-P energy: -3.975
tors. eta vs tors. theta energy: -6.698
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: 2
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -76.041412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.041412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.041412 (E_RNA)
where:
Base-Base interactions energy: -35.993
where: short stacking energy: -21.253
Base-Backbone interact. energy: 0.583
local terms energy: -40.631755
where:
bonds (distance) C4'-P energy: -7.954
bonds (distance) P-C4' energy: -10.584
flat angles C4'-P-C4' energy: -9.636
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: -3.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -76.174364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.174364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.174364 (E_RNA)
where:
Base-Base interactions energy: -34.141
where: short stacking energy: -16.361
Base-Backbone interact. energy: -0.212
local terms energy: -41.820979
where:
bonds (distance) C4'-P energy: -13.211
bonds (distance) P-C4' energy: -7.296
flat angles C4'-P-C4' energy: -11.213
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -2.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -57.203363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.203363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.203363 (E_RNA)
where:
Base-Base interactions energy: -27.479
where: short stacking energy: -10.404
Base-Backbone interact. energy: -0.250
local terms energy: -29.474362
where:
bonds (distance) C4'-P energy: -5.255
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -10.482
flat angles P-C4'-P energy: -2.652
tors. eta vs tors. theta energy: 2.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -57.874363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.874363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.874363 (E_RNA)
where:
Base-Base interactions energy: -20.883
where: short stacking energy: -10.547
Base-Backbone interact. energy: 0.360
local terms energy: -37.351805
where:
bonds (distance) C4'-P energy: -7.318
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -9.272
flat angles P-C4'-P energy: -6.946
tors. eta vs tors. theta energy: 0.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -68.967405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.967405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.967405 (E_RNA)
where:
Base-Base interactions energy: -20.090
where: short stacking energy: -16.181
Base-Backbone interact. energy: -0.383
local terms energy: -48.494539
where:
bonds (distance) C4'-P energy: -12.134
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -10.028
flat angles P-C4'-P energy: -8.159
tors. eta vs tors. theta energy: -6.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -147.418036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.418036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.418036 (E_RNA)
where:
Base-Base interactions energy: -89.267
where: short stacking energy: -35.021
Base-Backbone interact. energy: -0.004
local terms energy: -58.146727
where:
bonds (distance) C4'-P energy: -9.426
bonds (distance) P-C4' energy: -12.427
flat angles C4'-P-C4' energy: -9.888
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -14.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -155.066045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.066045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.066045 (E_RNA)
where:
Base-Base interactions energy: -98.771
where: short stacking energy: -46.420
Base-Backbone interact. energy: -0.099
local terms energy: -56.195945
where:
bonds (distance) C4'-P energy: -11.832
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -12.346
flat angles P-C4'-P energy: -5.928
tors. eta vs tors. theta energy: -12.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -141.325774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.325774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.325774 (E_RNA)
where:
Base-Base interactions energy: -92.267
where: short stacking energy: -36.342
Base-Backbone interact. energy: -0.164
local terms energy: -48.894720
where:
bonds (distance) C4'-P energy: -9.426
bonds (distance) P-C4' energy: -10.691
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -6.701
tors. eta vs tors. theta energy: -8.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -76.811548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.811548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.811548 (E_RNA)
where:
Base-Base interactions energy: -29.007
where: short stacking energy: -28.548
Base-Backbone interact. energy: 0.891
local terms energy: -48.695588
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -5.237
tors. eta vs tors. theta energy: -4.939
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: 6
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -129.906683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.906683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.906683 (E_RNA)
where:
Base-Base interactions energy: -81.743
where: short stacking energy: -29.926
Base-Backbone interact. energy: -0.032
local terms energy: -48.131487
where:
bonds (distance) C4'-P energy: -10.421
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -11.194
flat angles P-C4'-P energy: -9.549
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: 6, replica: 2
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -72.583235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.583235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.583235 (E_RNA)
where:
Base-Base interactions energy: -23.630
where: short stacking energy: -23.630
Base-Backbone interact. energy: -0.034
local terms energy: -48.919781
where:
bonds (distance) C4'-P energy: -10.304
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -10.013
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -5.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -78.392288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.392288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.392288 (E_RNA)
where:
Base-Base interactions energy: -36.842
where: short stacking energy: -19.443
Base-Backbone interact. energy: -0.250
local terms energy: -41.300008
where:
bonds (distance) C4'-P energy: -10.846
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -9.465
flat angles P-C4'-P energy: -5.874
tors. eta vs tors. theta energy: -2.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -64.416771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.416771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.416771 (E_RNA)
where:
Base-Base interactions energy: -26.115
where: short stacking energy: -10.372
Base-Backbone interact. energy: 1.038
local terms energy: -39.339074
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -11.200
flat angles C4'-P-C4' energy: -10.719
flat angles P-C4'-P energy: -4.206
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: 179
Temperature: 1.300000
Total energy: -67.125181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.125181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.125181 (E_RNA)
where:
Base-Base interactions energy: -28.681
where: short stacking energy: -13.064
Base-Backbone interact. energy: -0.085
local terms energy: -38.358745
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -10.203
flat angles C4'-P-C4' energy: -7.635
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: 1.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -61.123202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.123202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.123202 (E_RNA)
where:
Base-Base interactions energy: -21.285
where: short stacking energy: -21.285
Base-Backbone interact. energy: -0.891
local terms energy: -38.947685
where:
bonds (distance) C4'-P energy: -5.594
bonds (distance) P-C4' energy: -11.232
flat angles C4'-P-C4' energy: -8.188
flat angles P-C4'-P energy: -7.130
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: 10
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -154.475854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.475854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.475854 (E_RNA)
where:
Base-Base interactions energy: -96.917
where: short stacking energy: -37.557
Base-Backbone interact. energy: -0.088
local terms energy: -57.469922
where:
bonds (distance) C4'-P energy: -11.497
bonds (distance) P-C4' energy: -11.831
flat angles C4'-P-C4' energy: -10.872
flat angles P-C4'-P energy: -6.993
tors. eta vs tors. theta energy: -16.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -158.850809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.850809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.850809 (E_RNA)
where:
Base-Base interactions energy: -111.446
where: short stacking energy: -41.320
Base-Backbone interact. energy: -0.070
local terms energy: -47.335129
where:
bonds (distance) C4'-P energy: -12.407
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -8.786
flat angles P-C4'-P energy: -5.248
tors. eta vs tors. theta energy: -9.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -138.147946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.147946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.147946 (E_RNA)
where:
Base-Base interactions energy: -89.600
where: short stacking energy: -32.489
Base-Backbone interact. energy: -0.181
local terms energy: -48.366362
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -11.119
flat angles C4'-P-C4' energy: -10.315
flat angles P-C4'-P energy: -7.053
tors. eta vs tors. theta energy: -7.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -78.872923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.872923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.872923 (E_RNA)
where:
Base-Base interactions energy: -30.393
where: short stacking energy: -27.228
Base-Backbone interact. energy: -0.123
local terms energy: -48.357056
where:
bonds (distance) C4'-P energy: -11.149
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -10.196
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: -6.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -142.907791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.907791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.907791 (E_RNA)
where:
Base-Base interactions energy: -99.725
where: short stacking energy: -34.492
Base-Backbone interact. energy: -0.014
local terms energy: -43.169314
where:
bonds (distance) C4'-P energy: -7.600
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -2.357
tors. eta vs tors. theta energy: -8.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -67.941889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.941889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.941889 (E_RNA)
where:
Base-Base interactions energy: -32.438
where: short stacking energy: -16.173
Base-Backbone interact. energy: 1.174
local terms energy: -36.677816
where:
bonds (distance) C4'-P energy: -10.309
bonds (distance) P-C4' energy: -11.638
flat angles C4'-P-C4' energy: -10.759
flat angles P-C4'-P energy: -6.619
tors. eta vs tors. theta energy: 2.648
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: 9
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -87.439037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.439037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.439037 (E_RNA)
where:
Base-Base interactions energy: -38.706
where: short stacking energy: -28.718
Base-Backbone interact. energy: -0.072
local terms energy: -48.660939
where:
bonds (distance) C4'-P energy: -10.351
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -4.497
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: 7
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -117.606754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.606754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.606754 (E_RNA)
where:
Base-Base interactions energy: -68.847
where: short stacking energy: -30.061
Base-Backbone interact. energy: -0.037
local terms energy: -48.722272
where:
bonds (distance) C4'-P energy: -8.657
bonds (distance) P-C4' energy: -12.969
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -6.782
tors. eta vs tors. theta energy: -8.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -58.653198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.653198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.653198 (E_RNA)
where:
Base-Base interactions energy: -16.728
where: short stacking energy: -16.728
Base-Backbone interact. energy: -0.456
local terms energy: -41.469257
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -9.919
flat angles C4'-P-C4' energy: -9.818
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -1.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -65.756171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.756171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.756171 (E_RNA)
where:
Base-Base interactions energy: -28.157
where: short stacking energy: -18.037
Base-Backbone interact. energy: -0.032
local terms energy: -37.567143
where:
bonds (distance) C4'-P energy: -8.784
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -5.268
tors. eta vs tors. theta energy: 0.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -146.545264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.545264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.545264 (E_RNA)
where:
Base-Base interactions energy: -94.223
where: short stacking energy: -45.344
Base-Backbone interact. energy: -0.004
local terms energy: -52.317736
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -11.738
flat angles C4'-P-C4' energy: -10.688
flat angles P-C4'-P energy: -6.127
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: 2, replica: 1
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -141.123599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.123599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.123599 (E_RNA)
where:
Base-Base interactions energy: -85.810
where: short stacking energy: -32.173
Base-Backbone interact. energy: -0.021
local terms energy: -55.292484
where:
bonds (distance) C4'-P energy: -10.581
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -11.182
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -11.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -130.592493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.592493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.592493 (E_RNA)
where:
Base-Base interactions energy: -82.140
where: short stacking energy: -25.182
Base-Backbone interact. energy: -0.087
local terms energy: -48.366033
where:
bonds (distance) C4'-P energy: -11.932
bonds (distance) P-C4' energy: -11.465
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -3.786
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: 4, replica: 6
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -131.370300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.370300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.370300 (E_RNA)
where:
Base-Base interactions energy: -86.763
where: short stacking energy: -31.284
Base-Backbone interact. energy: -0.237
local terms energy: -44.370535
where:
bonds (distance) C4'-P energy: -7.881
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -7.082
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -7.928
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: 5, replica: 8
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -71.128605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.128605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.128605 (E_RNA)
where:
Base-Base interactions energy: -29.213
where: short stacking energy: -22.505
Base-Backbone interact. energy: 0.032
local terms energy: -41.947657
where:
bonds (distance) C4'-P energy: -8.090
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -10.195
flat angles P-C4'-P energy: -5.395
tors. eta vs tors. theta energy: -4.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -89.247933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.247933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.247933 (E_RNA)
where:
Base-Base interactions energy: -39.959
where: short stacking energy: -31.512
Base-Backbone interact. energy: -0.010
local terms energy: -49.279645
where:
bonds (distance) C4'-P energy: -9.421
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -10.683
flat angles P-C4'-P energy: -7.443
tors. eta vs tors. theta energy: -8.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -66.735489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.735489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.735489 (E_RNA)
where:
Base-Base interactions energy: -33.931
where: short stacking energy: -17.848
Base-Backbone interact. energy: -0.120
local terms energy: -32.684642
where:
bonds (distance) C4'-P energy: -8.515
bonds (distance) P-C4' energy: -8.606
flat angles C4'-P-C4' energy: -7.653
flat angles P-C4'-P energy: -3.816
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: 8, replica: 7
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -120.212556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.212556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.212556 (E_RNA)
where:
Base-Base interactions energy: -82.742
where: short stacking energy: -29.959
Base-Backbone interact. energy: 0.316
local terms energy: -37.786668
where:
bonds (distance) C4'-P energy: -7.440
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -7.933
flat angles P-C4'-P energy: -5.055
tors. eta vs tors. theta energy: -4.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -59.743932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.743932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.743932 (E_RNA)
where:
Base-Base interactions energy: -15.795
where: short stacking energy: -15.795
Base-Backbone interact. energy: 0.080
local terms energy: -44.028960
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -8.158
flat angles P-C4'-P energy: -5.324
tors. eta vs tors. theta energy: -5.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -62.288118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.288118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.288118 (E_RNA)
where:
Base-Base interactions energy: -19.621
where: short stacking energy: -19.621
Base-Backbone interact. energy: -0.168
local terms energy: -42.499409
where:
bonds (distance) C4'-P energy: -5.164
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -12.223
flat angles P-C4'-P energy: -8.373
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: 1
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -139.183939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.183939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.183939 (E_RNA)
where:
Base-Base interactions energy: -85.016
where: short stacking energy: -38.781
Base-Backbone interact. energy: -0.006
local terms energy: -54.161426
where:
bonds (distance) C4'-P energy: -10.437
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -12.864
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: -10.624
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: 10
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -140.128025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.128025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.128025 (E_RNA)
where:
Base-Base interactions energy: -88.579
where: short stacking energy: -40.723
Base-Backbone interact. energy: -0.007
local terms energy: -51.542179
where:
bonds (distance) C4'-P energy: -9.352
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -10.188
flat angles P-C4'-P energy: -9.187
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: 3, replica: 6
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -142.852427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.852427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.852427 (E_RNA)
where:
Base-Base interactions energy: -95.101
where: short stacking energy: -32.000
Base-Backbone interact. energy: -0.147
local terms energy: -47.604280
where:
bonds (distance) C4'-P energy: -11.609
bonds (distance) P-C4' energy: -9.900
flat angles C4'-P-C4' energy: -11.095
flat angles P-C4'-P energy: -6.164
tors. eta vs tors. theta energy: -8.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -136.467380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.467380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.467380 (E_RNA)
where:
Base-Base interactions energy: -80.468
where: short stacking energy: -33.052
Base-Backbone interact. energy: -0.055
local terms energy: -55.944458
where:
bonds (distance) C4'-P energy: -8.396
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -11.919
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -12.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -85.423824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.423824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.423824 (E_RNA)
where:
Base-Base interactions energy: -40.863
where: short stacking energy: -21.380
Base-Backbone interact. energy: -0.366
local terms energy: -44.195251
where:
bonds (distance) C4'-P energy: -8.488
bonds (distance) P-C4' energy: -12.534
flat angles C4'-P-C4' energy: -10.656
flat angles P-C4'-P energy: -7.686
tors. eta vs tors. theta energy: -4.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -76.734842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.734842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.734842 (E_RNA)
where:
Base-Base interactions energy: -22.909
where: short stacking energy: -22.909
Base-Backbone interact. energy: -0.004
local terms energy: -53.821422
where:
bonds (distance) C4'-P energy: -10.151
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -6.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -124.035454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.035454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.035454 (E_RNA)
where:
Base-Base interactions energy: -73.616
where: short stacking energy: -29.034
Base-Backbone interact. energy: 0.641
local terms energy: -51.060196
where:
bonds (distance) C4'-P energy: -10.147
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -5.256
tors. eta vs tors. theta energy: -10.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -62.044263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.044263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.044263 (E_RNA)
where:
Base-Base interactions energy: -23.657
where: short stacking energy: -23.657
Base-Backbone interact. energy: -0.049
local terms energy: -38.338515
where:
bonds (distance) C4'-P energy: -8.760
bonds (distance) P-C4' energy: -11.255
flat angles C4'-P-C4' energy: -10.998
flat angles P-C4'-P energy: -1.316
tors. eta vs tors. theta energy: -6.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -60.191485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.191485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.191485 (E_RNA)
where:
Base-Base interactions energy: -22.845
where: short stacking energy: -22.845
Base-Backbone interact. energy: -0.061
local terms energy: -37.285065
where:
bonds (distance) C4'-P energy: -10.892
bonds (distance) P-C4' energy: -8.422
flat angles C4'-P-C4' energy: -8.889
flat angles P-C4'-P energy: -3.008
tors. eta vs tors. theta energy: -6.075
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: 3
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -54.105040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.105040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.105040 (E_RNA)
where:
Base-Base interactions energy: -22.976
where: short stacking energy: -5.620
Base-Backbone interact. energy: 0.852
local terms energy: -31.981080
where:
bonds (distance) C4'-P energy: -11.356
bonds (distance) P-C4' energy: -9.157
flat angles C4'-P-C4' energy: -7.677
flat angles P-C4'-P energy: -5.671
tors. eta vs tors. theta energy: 1.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -151.449604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.449604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.449604 (E_RNA)
where:
Base-Base interactions energy: -93.530
where: short stacking energy: -35.485
Base-Backbone interact. energy: -0.135
local terms energy: -57.784116
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -13.299
flat angles P-C4'-P energy: -5.983
tors. eta vs tors. theta energy: -14.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -146.211997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.211997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.211997 (E_RNA)
where:
Base-Base interactions energy: -89.211
where: short stacking energy: -37.051
Base-Backbone interact. energy: -0.001
local terms energy: -56.999931
where:
bonds (distance) C4'-P energy: -12.436
bonds (distance) P-C4' energy: -14.153
flat angles C4'-P-C4' energy: -11.977
flat angles P-C4'-P energy: -6.696
tors. eta vs tors. theta energy: -11.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -124.656134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.656134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.656134 (E_RNA)
where:
Base-Base interactions energy: -71.627
where: short stacking energy: -26.448
Base-Backbone interact. energy: -0.089
local terms energy: -52.939798
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -10.066
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -8.965
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: 183
Temperature: 1.050000
Total energy: -147.446930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.446930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.446930 (E_RNA)
where:
Base-Base interactions energy: -93.960
where: short stacking energy: -35.082
Base-Backbone interact. energy: -0.935
local terms energy: -52.552231
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -10.439
flat angles P-C4'-P energy: -6.959
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: 5, replica: 9
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -81.443072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.443072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.443072 (E_RNA)
where:
Base-Base interactions energy: -38.255
where: short stacking energy: -25.585
Base-Backbone interact. energy: -0.456
local terms energy: -42.732372
where:
bonds (distance) C4'-P energy: -11.468
bonds (distance) P-C4' energy: -8.790
flat angles C4'-P-C4' energy: -9.531
flat angles P-C4'-P energy: -9.191
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: 6, replica: 7
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -135.276744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.276744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.276744 (E_RNA)
where:
Base-Base interactions energy: -90.270
where: short stacking energy: -38.657
Base-Backbone interact. energy: -0.063
local terms energy: -44.943315
where:
bonds (distance) C4'-P energy: -10.615
bonds (distance) P-C4' energy: -11.556
flat angles C4'-P-C4' energy: -9.004
flat angles P-C4'-P energy: -2.463
tors. eta vs tors. theta energy: -11.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -58.135642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.135642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.135642 (E_RNA)
where:
Base-Base interactions energy: -27.530
where: short stacking energy: -27.530
Base-Backbone interact. energy: -0.096
local terms energy: -30.509442
where:
bonds (distance) C4'-P energy: -10.794
bonds (distance) P-C4' energy: -8.703
flat angles C4'-P-C4' energy: -7.580
flat angles P-C4'-P energy: -1.607
tors. eta vs tors. theta energy: -1.824
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: 4
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -57.897764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.897764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.897764 (E_RNA)
where:
Base-Base interactions energy: -17.655
where: short stacking energy: -17.655
Base-Backbone interact. energy: -0.003
local terms energy: -40.240124
where:
bonds (distance) C4'-P energy: -10.854
bonds (distance) P-C4' energy: -8.673
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -8.320
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: 9, replica: 2
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -59.706796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.706796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.706796 (E_RNA)
where:
Base-Base interactions energy: -13.660
where: short stacking energy: -13.660
Base-Backbone interact. energy: -0.140
local terms energy: -45.906726
where:
bonds (distance) C4'-P energy: -12.163
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -9.733
flat angles P-C4'-P energy: -5.338
tors. eta vs tors. theta energy: -5.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -56.172489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.172489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.172489 (E_RNA)
where:
Base-Base interactions energy: -28.610
where: short stacking energy: -25.026
Base-Backbone interact. energy: -0.062
local terms energy: -27.500516
where:
bonds (distance) C4'-P energy: -10.342
bonds (distance) P-C4' energy: -8.784
flat angles C4'-P-C4' energy: -3.419
flat angles P-C4'-P energy: -0.716
tors. eta vs tors. theta energy: -4.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -156.007458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.007458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.007458 (E_RNA)
where:
Base-Base interactions energy: -103.892
where: short stacking energy: -41.321
Base-Backbone interact. energy: -0.030
local terms energy: -52.085260
where:
bonds (distance) C4'-P energy: -11.769
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -9.599
flat angles P-C4'-P energy: -5.875
tors. eta vs tors. theta energy: -11.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -151.337417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.337417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.337417 (E_RNA)
where:
Base-Base interactions energy: -93.643
where: short stacking energy: -38.065
Base-Backbone interact. energy: -0.027
local terms energy: -57.667166
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -10.410
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -11.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -137.869189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.869189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.869189 (E_RNA)
where:
Base-Base interactions energy: -94.454
where: short stacking energy: -19.922
Base-Backbone interact. energy: -0.230
local terms energy: -43.185407
where:
bonds (distance) C4'-P energy: -10.566
bonds (distance) P-C4' energy: -11.044
flat angles C4'-P-C4' energy: -7.936
flat angles P-C4'-P energy: -6.440
tors. eta vs tors. theta energy: -7.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -125.897889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.897889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.897889 (E_RNA)
where:
Base-Base interactions energy: -79.186
where: short stacking energy: -34.074
Base-Backbone interact. energy: -0.066
local terms energy: -46.646150
where:
bonds (distance) C4'-P energy: -9.087
bonds (distance) P-C4' energy: -10.112
flat angles C4'-P-C4' energy: -12.049
flat angles P-C4'-P energy: -5.778
tors. eta vs tors. theta energy: -9.619
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: 7
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -127.146671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.146671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.146671 (E_RNA)
where:
Base-Base interactions energy: -77.786
where: short stacking energy: -39.016
Base-Backbone interact. energy: 0.195
local terms energy: -49.556257
where:
bonds (distance) C4'-P energy: -11.703
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -5.850
tors. eta vs tors. theta energy: -6.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -74.694185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.694185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.694185 (E_RNA)
where:
Base-Base interactions energy: -38.082
where: short stacking energy: -10.064
Base-Backbone interact. energy: -0.157
local terms energy: -36.455331
where:
bonds (distance) C4'-P energy: -10.348
bonds (distance) P-C4' energy: -8.249
flat angles C4'-P-C4' energy: -9.319
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: 2.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -66.665553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.665553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.665553 (E_RNA)
where:
Base-Base interactions energy: -19.579
where: short stacking energy: -14.981
Base-Backbone interact. energy: -0.189
local terms energy: -46.897640
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -11.990
flat angles C4'-P-C4' energy: -8.976
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -4.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -58.166009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.166009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.166009 (E_RNA)
where:
Base-Base interactions energy: -26.350
where: short stacking energy: -13.971
Base-Backbone interact. energy: -0.208
local terms energy: -31.608164
where:
bonds (distance) C4'-P energy: -6.045
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -11.345
flat angles P-C4'-P energy: -6.647
tors. eta vs tors. theta energy: 5.542
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: 3
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -53.767668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.767668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.767668 (E_RNA)
where:
Base-Base interactions energy: -14.088
where: short stacking energy: -14.088
Base-Backbone interact. energy: -0.012
local terms energy: -39.667545
where:
bonds (distance) C4'-P energy: -9.940
bonds (distance) P-C4' energy: -11.916
flat angles C4'-P-C4' energy: -2.306
flat angles P-C4'-P energy: -9.196
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: 2
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -56.157768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.157768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.157768 (E_RNA)
where:
Base-Base interactions energy: -28.711
where: short stacking energy: -13.123
Base-Backbone interact. energy: 0.640
local terms energy: -28.087238
where:
bonds (distance) C4'-P energy: -10.540
bonds (distance) P-C4' energy: -5.547
flat angles C4'-P-C4' energy: -6.291
flat angles P-C4'-P energy: -4.248
tors. eta vs tors. theta energy: -1.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -160.535860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.535860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.535860 (E_RNA)
where:
Base-Base interactions energy: -111.685
where: short stacking energy: -38.842
Base-Backbone interact. energy: -0.068
local terms energy: -48.782918
where:
bonds (distance) C4'-P energy: -8.673
bonds (distance) P-C4' energy: -9.093
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -3.249
tors. eta vs tors. theta energy: -15.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -156.797178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.797178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.797178 (E_RNA)
where:
Base-Base interactions energy: -109.516
where: short stacking energy: -43.253
Base-Backbone interact. energy: -0.230
local terms energy: -47.050829
where:
bonds (distance) C4'-P energy: -9.410
bonds (distance) P-C4' energy: -10.492
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -7.353
tors. eta vs tors. theta energy: -7.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -151.434386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.434386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.434386 (E_RNA)
where:
Base-Base interactions energy: -101.823
where: short stacking energy: -33.563
Base-Backbone interact. energy: 0.102
local terms energy: -49.712632
where:
bonds (distance) C4'-P energy: -11.973
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -8.571
flat angles P-C4'-P energy: -7.204
tors. eta vs tors. theta energy: -8.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -134.654650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.654650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.654650 (E_RNA)
where:
Base-Base interactions energy: -88.513
where: short stacking energy: -42.699
Base-Backbone interact. energy: -0.022
local terms energy: -46.118969
where:
bonds (distance) C4'-P energy: -10.268
bonds (distance) P-C4' energy: -8.385
flat angles C4'-P-C4' energy: -5.692
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -11.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -144.725080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.725080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.725080 (E_RNA)
where:
Base-Base interactions energy: -93.887
where: short stacking energy: -39.039
Base-Backbone interact. energy: -0.104
local terms energy: -50.733904
where:
bonds (distance) C4'-P energy: -9.870
bonds (distance) P-C4' energy: -11.598
flat angles C4'-P-C4' energy: -10.977
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -9.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -71.772489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.772489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.772489 (E_RNA)
where:
Base-Base interactions energy: -23.817
where: short stacking energy: -16.884
Base-Backbone interact. energy: -0.014
local terms energy: -47.942062
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -12.443
flat angles C4'-P-C4' energy: -11.135
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -3.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -70.890689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.890689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.890689 (E_RNA)
where:
Base-Base interactions energy: -21.955
where: short stacking energy: -19.745
Base-Backbone interact. energy: 0.438
local terms energy: -49.374160
where:
bonds (distance) C4'-P energy: -10.834
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -7.090
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: 8, replica: 4
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -55.833590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.833590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.833590 (E_RNA)
where:
Base-Base interactions energy: -17.664
where: short stacking energy: -14.297
Base-Backbone interact. energy: 0.428
local terms energy: -38.597638
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -4.851
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: 1.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -87.591294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.591294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.591294 (E_RNA)
where:
Base-Base interactions energy: -52.207
where: short stacking energy: -23.712
Base-Backbone interact. energy: -0.042
local terms energy: -35.343245
where:
bonds (distance) C4'-P energy: -9.071
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -4.716
flat angles P-C4'-P energy: -4.527
tors. eta vs tors. theta energy: -4.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -54.855043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.855043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.855043 (E_RNA)
where:
Base-Base interactions energy: -13.740
where: short stacking energy: -13.740
Base-Backbone interact. energy: 2.807
local terms energy: -43.921296
where:
bonds (distance) C4'-P energy: -8.308
bonds (distance) P-C4' energy: -11.553
flat angles C4'-P-C4' energy: -9.882
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -5.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -160.821310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.821310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.821310 (E_RNA)
where:
Base-Base interactions energy: -105.152
where: short stacking energy: -43.535
Base-Backbone interact. energy: -0.088
local terms energy: -55.580856
where:
bonds (distance) C4'-P energy: -11.360
bonds (distance) P-C4' energy: -14.457
flat angles C4'-P-C4' energy: -10.692
flat angles P-C4'-P energy: -4.206
tors. eta vs tors. theta energy: -14.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -148.929116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.929116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.929116 (E_RNA)
where:
Base-Base interactions energy: -97.979
where: short stacking energy: -35.835
Base-Backbone interact. energy: -0.082
local terms energy: -50.868938
where:
bonds (distance) C4'-P energy: -10.048
bonds (distance) P-C4' energy: -8.976
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -6.627
tors. eta vs tors. theta energy: -12.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -144.484299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.484299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.484299 (E_RNA)
where:
Base-Base interactions energy: -93.421
where: short stacking energy: -34.593
Base-Backbone interact. energy: -0.181
local terms energy: -50.882153
where:
bonds (distance) C4'-P energy: -9.033
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -10.278
flat angles P-C4'-P energy: -7.739
tors. eta vs tors. theta energy: -10.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -129.261045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.261045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.261045 (E_RNA)
where:
Base-Base interactions energy: -76.256
where: short stacking energy: -28.056
Base-Backbone interact. energy: -0.195
local terms energy: -52.810574
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -11.161
flat angles P-C4'-P energy: -6.100
tors. eta vs tors. theta energy: -11.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -130.741398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.741398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.741398 (E_RNA)
where:
Base-Base interactions energy: -88.789
where: short stacking energy: -41.661
Base-Backbone interact. energy: -0.091
local terms energy: -41.861910
where:
bonds (distance) C4'-P energy: -4.471
bonds (distance) P-C4' energy: -10.583
flat angles C4'-P-C4' energy: -9.546
flat angles P-C4'-P energy: -4.556
tors. eta vs tors. theta energy: -12.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -70.178818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.178818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.178818 (E_RNA)
where:
Base-Base interactions energy: -25.574
where: short stacking energy: -20.035
Base-Backbone interact. energy: -0.319
local terms energy: -44.286126
where:
bonds (distance) C4'-P energy: -9.401
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -6.101
tors. eta vs tors. theta energy: -4.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -67.497470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.497470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.497470 (E_RNA)
where:
Base-Base interactions energy: -26.143
where: short stacking energy: -15.212
Base-Backbone interact. energy: 1.801
local terms energy: -43.154859
where:
bonds (distance) C4'-P energy: -12.171
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -11.077
flat angles P-C4'-P energy: -6.189
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: 8, replica: 9
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -76.029341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.029341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.029341 (E_RNA)
where:
Base-Base interactions energy: -40.283
where: short stacking energy: -26.393
Base-Backbone interact. energy: -0.031
local terms energy: -35.715720
where:
bonds (distance) C4'-P energy: -9.994
bonds (distance) P-C4' energy: -10.786
flat angles C4'-P-C4' energy: -7.234
flat angles P-C4'-P energy: -3.182
tors. eta vs tors. theta energy: -4.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -54.655997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.655997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.655997 (E_RNA)
where:
Base-Base interactions energy: -15.981
where: short stacking energy: -10.677
Base-Backbone interact. energy: -0.136
local terms energy: -38.539596
where:
bonds (distance) C4'-P energy: -10.412
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -8.625
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: 2.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -54.484846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.484846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.484846 (E_RNA)
where:
Base-Base interactions energy: -25.102
where: short stacking energy: -7.821
Base-Backbone interact. energy: -0.122
local terms energy: -29.260159
where:
bonds (distance) C4'-P energy: -8.037
bonds (distance) P-C4' energy: -10.625
flat angles C4'-P-C4' energy: -6.603
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: 3.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -161.630902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.630902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.630902 (E_RNA)
where:
Base-Base interactions energy: -108.503
where: short stacking energy: -41.508
Base-Backbone interact. energy: -0.321
local terms energy: -52.806931
where:
bonds (distance) C4'-P energy: -11.790
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -12.166
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: -8.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -164.349090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.349090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.349090 (E_RNA)
where:
Base-Base interactions energy: -110.499
where: short stacking energy: -41.591
Base-Backbone interact. energy: -0.079
local terms energy: -53.770490
where:
bonds (distance) C4'-P energy: -11.835
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -5.626
tors. eta vs tors. theta energy: -11.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -134.380936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.380936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.380936 (E_RNA)
where:
Base-Base interactions energy: -83.682
where: short stacking energy: -27.811
Base-Backbone interact. energy: 0.074
local terms energy: -50.773391
where:
bonds (distance) C4'-P energy: -11.150
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -11.811
flat angles P-C4'-P energy: -6.686
tors. eta vs tors. theta energy: -8.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -129.376320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.376320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.376320 (E_RNA)
where:
Base-Base interactions energy: -79.347
where: short stacking energy: -27.054
Base-Backbone interact. energy: -0.006
local terms energy: -50.023147
where:
bonds (distance) C4'-P energy: -13.707
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -8.172
tors. eta vs tors. theta energy: -3.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -137.000652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.000652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.000652 (E_RNA)
where:
Base-Base interactions energy: -91.279
where: short stacking energy: -31.114
Base-Backbone interact. energy: -0.013
local terms energy: -45.708516
where:
bonds (distance) C4'-P energy: -8.480
bonds (distance) P-C4' energy: -9.049
flat angles C4'-P-C4' energy: -11.320
flat angles P-C4'-P energy: -5.615
tors. eta vs tors. theta energy: -11.246
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: 187
Temperature: 1.150000
Total energy: -74.990024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.990024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.990024 (E_RNA)
where:
Base-Base interactions energy: -26.742
where: short stacking energy: -26.742
Base-Backbone interact. energy: 0.320
local terms energy: -48.567568
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -9.820
flat angles C4'-P-C4' energy: -10.295
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -5.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -72.394771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.394771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.394771 (E_RNA)
where:
Base-Base interactions energy: -27.672
where: short stacking energy: -17.138
Base-Backbone interact. energy: -0.080
local terms energy: -44.643290
where:
bonds (distance) C4'-P energy: -9.907
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -6.207
tors. eta vs tors. theta energy: -3.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -57.286593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.286593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.286593 (E_RNA)
where:
Base-Base interactions energy: -18.419
where: short stacking energy: -18.419
Base-Backbone interact. energy: -0.033
local terms energy: -38.835456
where:
bonds (distance) C4'-P energy: -7.369
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -10.107
flat angles P-C4'-P energy: -6.134
tors. eta vs tors. theta energy: -1.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -62.087845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.087845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.087845 (E_RNA)
where:
Base-Base interactions energy: -23.224
where: short stacking energy: -23.224
Base-Backbone interact. energy: -0.172
local terms energy: -38.691186
where:
bonds (distance) C4'-P energy: -12.593
bonds (distance) P-C4' energy: -11.687
flat angles C4'-P-C4' energy: -5.197
flat angles P-C4'-P energy: -6.111
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: 3
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -54.811794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.811794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.811794 (E_RNA)
where:
Base-Base interactions energy: -28.855
where: short stacking energy: -20.495
Base-Backbone interact. energy: -0.013
local terms energy: -25.943890
where:
bonds (distance) C4'-P energy: -7.605
bonds (distance) P-C4' energy: -11.668
flat angles C4'-P-C4' energy: 1.618
flat angles P-C4'-P energy: -5.851
tors. eta vs tors. theta energy: -2.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -160.040287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.040287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.040287 (E_RNA)
where:
Base-Base interactions energy: -109.155
where: short stacking energy: -38.190
Base-Backbone interact. energy: -0.095
local terms energy: -50.790243
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -8.989
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -5.293
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: 2, replica: 10
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -151.296119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.296119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.296119 (E_RNA)
where:
Base-Base interactions energy: -95.468
where: short stacking energy: -32.486
Base-Backbone interact. energy: 0.155
local terms energy: -55.983335
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -11.389
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -10.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -143.289798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.289798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.289798 (E_RNA)
where:
Base-Base interactions energy: -89.264
where: short stacking energy: -36.106
Base-Backbone interact. energy: -0.017
local terms energy: -54.008880
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -11.246
flat angles C4'-P-C4' energy: -8.664
flat angles P-C4'-P energy: -6.331
tors. eta vs tors. theta energy: -13.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -121.320353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.320353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.320353 (E_RNA)
where:
Base-Base interactions energy: -78.304
where: short stacking energy: -30.540
Base-Backbone interact. energy: -0.198
local terms energy: -42.817572
where:
bonds (distance) C4'-P energy: -7.481
bonds (distance) P-C4' energy: -9.756
flat angles C4'-P-C4' energy: -10.880
flat angles P-C4'-P energy: -6.302
tors. eta vs tors. theta energy: -8.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -127.615093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.615093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.615093 (E_RNA)
where:
Base-Base interactions energy: -87.665
where: short stacking energy: -29.530
Base-Backbone interact. energy: -0.246
local terms energy: -39.704431
where:
bonds (distance) C4'-P energy: -11.063
bonds (distance) P-C4' energy: -4.712
flat angles C4'-P-C4' energy: -6.567
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -7.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -67.948497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.948497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.948497 (E_RNA)
where:
Base-Base interactions energy: -29.418
where: short stacking energy: -23.496
Base-Backbone interact. energy: 0.139
local terms energy: -38.669777
where:
bonds (distance) C4'-P energy: -10.041
bonds (distance) P-C4' energy: -9.862
flat angles C4'-P-C4' energy: -9.289
flat angles P-C4'-P energy: -2.961
tors. eta vs tors. theta energy: -6.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -66.082920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.082920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.082920 (E_RNA)
where:
Base-Base interactions energy: -16.200
where: short stacking energy: -16.200
Base-Backbone interact. energy: -0.065
local terms energy: -49.817786
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -10.737
flat angles P-C4'-P energy: -7.948
tors. eta vs tors. theta energy: -4.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -57.811405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.811405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.811405 (E_RNA)
where:
Base-Base interactions energy: -26.120
where: short stacking energy: -8.385
Base-Backbone interact. energy: -0.189
local terms energy: -31.501989
where:
bonds (distance) C4'-P energy: -3.444
bonds (distance) P-C4' energy: -10.579
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -6.414
tors. eta vs tors. theta energy: 1.474
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: 9
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -55.660854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.660854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.660854 (E_RNA)
where:
Base-Base interactions energy: -21.291
where: short stacking energy: -18.535
Base-Backbone interact. energy: -0.178
local terms energy: -34.191574
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -9.029
flat angles C4'-P-C4' energy: -5.846
flat angles P-C4'-P energy: -4.962
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: 3
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -55.731926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.731926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.731926 (E_RNA)
where:
Base-Base interactions energy: -18.937
where: short stacking energy: -9.409
Base-Backbone interact. energy: -0.120
local terms energy: -36.675132
where:
bonds (distance) C4'-P energy: -8.612
bonds (distance) P-C4' energy: -13.168
flat angles C4'-P-C4' energy: -10.229
flat angles P-C4'-P energy: -5.494
tors. eta vs tors. theta energy: 0.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -155.775274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.775274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.775274 (E_RNA)
where:
Base-Base interactions energy: -104.049
where: short stacking energy: -36.531
Base-Backbone interact. energy: -0.075
local terms energy: -51.651337
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -9.399
flat angles P-C4'-P energy: -6.428
tors. eta vs tors. theta energy: -11.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -143.815350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.815350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.815350 (E_RNA)
where:
Base-Base interactions energy: -93.505
where: short stacking energy: -39.869
Base-Backbone interact. energy: -0.008
local terms energy: -50.302210
where:
bonds (distance) C4'-P energy: -9.824
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -11.365
flat angles P-C4'-P energy: -7.639
tors. eta vs tors. theta energy: -9.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -149.445454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.445454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.445454 (E_RNA)
where:
Base-Base interactions energy: -100.545
where: short stacking energy: -32.265
Base-Backbone interact. energy: -0.005
local terms energy: -48.896012
where:
bonds (distance) C4'-P energy: -10.892
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -3.531
tors. eta vs tors. theta energy: -8.743
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: 5
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -139.053819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.053819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.053819 (E_RNA)
where:
Base-Base interactions energy: -90.466
where: short stacking energy: -34.059
Base-Backbone interact. energy: -0.168
local terms energy: -48.418929
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -10.755
flat angles C4'-P-C4' energy: -11.712
flat angles P-C4'-P energy: -4.958
tors. eta vs tors. theta energy: -9.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -131.417521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.417521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.417521 (E_RNA)
where:
Base-Base interactions energy: -88.050
where: short stacking energy: -31.754
Base-Backbone interact. energy: -0.658
local terms energy: -42.709464
where:
bonds (distance) C4'-P energy: -10.421
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -5.848
flat angles P-C4'-P energy: -9.250
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: 6, replica: 4
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -89.403701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.403701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.403701 (E_RNA)
where:
Base-Base interactions energy: -50.447
where: short stacking energy: -20.452
Base-Backbone interact. energy: -1.000
local terms energy: -37.956921
where:
bonds (distance) C4'-P energy: -10.859
bonds (distance) P-C4' energy: -9.153
flat angles C4'-P-C4' energy: -10.120
flat angles P-C4'-P energy: -4.621
tors. eta vs tors. theta energy: -3.203
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: 189
Temperature: 1.200000
Total energy: -65.162764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.162764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.162764 (E_RNA)
where:
Base-Base interactions energy: -21.115
where: short stacking energy: -21.115
Base-Backbone interact. energy: -0.010
local terms energy: -44.037251
where:
bonds (distance) C4'-P energy: -10.371
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -10.708
flat angles P-C4'-P energy: -4.972
tors. eta vs tors. theta energy: -4.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -63.637232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.637232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.637232 (E_RNA)
where:
Base-Base interactions energy: -23.032
where: short stacking energy: -22.544
Base-Backbone interact. energy: -0.041
local terms energy: -40.563811
where:
bonds (distance) C4'-P energy: -11.311
bonds (distance) P-C4' energy: -10.553
flat angles C4'-P-C4' energy: -9.382
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -0.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -55.142408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.142408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.142408 (E_RNA)
where:
Base-Base interactions energy: -12.776
where: short stacking energy: -12.776
Base-Backbone interact. energy: -0.337
local terms energy: -42.029003
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -11.464
flat angles C4'-P-C4' energy: -6.693
flat angles P-C4'-P energy: -2.677
tors. eta vs tors. theta energy: -7.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -60.309206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.309206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.309206 (E_RNA)
where:
Base-Base interactions energy: -30.369
where: short stacking energy: -7.058
Base-Backbone interact. energy: 0.521
local terms energy: -30.460902
where:
bonds (distance) C4'-P energy: -4.557
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -4.172
tors. eta vs tors. theta energy: 2.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -158.600523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.600523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.600523 (E_RNA)
where:
Base-Base interactions energy: -111.236
where: short stacking energy: -40.909
Base-Backbone interact. energy: -0.081
local terms energy: -47.283098
where:
bonds (distance) C4'-P energy: -10.247
bonds (distance) P-C4' energy: -9.940
flat angles C4'-P-C4' energy: -10.218
flat angles P-C4'-P energy: -5.470
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: 2, replica: 1
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -137.321712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.321712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.321712 (E_RNA)
where:
Base-Base interactions energy: -86.766
where: short stacking energy: -39.746
Base-Backbone interact. energy: -0.135
local terms energy: -50.421374
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -11.373
flat angles P-C4'-P energy: -2.835
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: 3, replica: 5
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -139.175931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.175931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.175931 (E_RNA)
where:
Base-Base interactions energy: -90.903
where: short stacking energy: -29.006
Base-Backbone interact. energy: -0.095
local terms energy: -48.178674
where:
bonds (distance) C4'-P energy: -6.745
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -10.631
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -7.139
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: 4, replica: 10
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -142.530925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.530925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.530925 (E_RNA)
where:
Base-Base interactions energy: -87.260
where: short stacking energy: -34.830
Base-Backbone interact. energy: -0.008
local terms energy: -55.263325
where:
bonds (distance) C4'-P energy: -8.839
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -11.090
flat angles P-C4'-P energy: -9.299
tors. eta vs tors. theta energy: -11.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -78.228757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.228757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.228757 (E_RNA)
where:
Base-Base interactions energy: -28.573
where: short stacking energy: -28.334
Base-Backbone interact. energy: 0.576
local terms energy: -50.231244
where:
bonds (distance) C4'-P energy: -9.733
bonds (distance) P-C4' energy: -12.093
flat angles C4'-P-C4' energy: -12.400
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -7.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -137.233215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.233215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.233215 (E_RNA)
where:
Base-Base interactions energy: -89.616
where: short stacking energy: -32.848
Base-Backbone interact. energy: -0.086
local terms energy: -47.531469
where:
bonds (distance) C4'-P energy: -9.604
bonds (distance) P-C4' energy: -12.607
flat angles C4'-P-C4' energy: -7.048
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -9.686
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: 7, replica: 9
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -72.684609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.684609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.684609 (E_RNA)
where:
Base-Base interactions energy: -29.685
where: short stacking energy: -18.944
Base-Backbone interact. energy: -0.213
local terms energy: -42.785980
where:
bonds (distance) C4'-P energy: -10.048
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -9.799
flat angles P-C4'-P energy: -7.592
tors. eta vs tors. theta energy: -1.363
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: 2
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -63.985419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.985419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.985419 (E_RNA)
where:
Base-Base interactions energy: -24.195
where: short stacking energy: -17.815
Base-Backbone interact. energy: -0.177
local terms energy: -39.613076
where:
bonds (distance) C4'-P energy: -11.003
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -11.686
flat angles P-C4'-P energy: -4.823
tors. eta vs tors. theta energy: -0.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -67.226374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.226374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.226374 (E_RNA)
where:
Base-Base interactions energy: -33.057
where: short stacking energy: -15.406
Base-Backbone interact. energy: -0.395
local terms energy: -33.775170
where:
bonds (distance) C4'-P energy: -10.227
bonds (distance) P-C4' energy: -10.023
flat angles C4'-P-C4' energy: -12.148
flat angles P-C4'-P energy: 1.033
tors. eta vs tors. theta energy: -2.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -52.183141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.183141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.183141 (E_RNA)
where:
Base-Base interactions energy: -10.992
where: short stacking energy: -10.992
Base-Backbone interact. energy: -0.046
local terms energy: -41.145538
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -10.852
flat angles C4'-P-C4' energy: -11.379
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: 1.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -145.831351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.831351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.831351 (E_RNA)
where:
Base-Base interactions energy: -95.477
where: short stacking energy: -43.566
Base-Backbone interact. energy: -0.141
local terms energy: -50.212475
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -9.843
flat angles C4'-P-C4' energy: -11.467
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -7.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -143.823390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.823390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.823390 (E_RNA)
where:
Base-Base interactions energy: -96.032
where: short stacking energy: -39.251
Base-Backbone interact. energy: -0.045
local terms energy: -47.746199
where:
bonds (distance) C4'-P energy: -12.134
bonds (distance) P-C4' energy: -11.001
flat angles C4'-P-C4' energy: -6.043
flat angles P-C4'-P energy: -5.278
tors. eta vs tors. theta energy: -13.290
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: 1
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -138.776396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.776396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.776396 (E_RNA)
where:
Base-Base interactions energy: -92.454
where: short stacking energy: -33.563
Base-Backbone interact. energy: -0.059
local terms energy: -46.263735
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -11.079
flat angles P-C4'-P energy: -0.385
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -141.158206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.158206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.158206 (E_RNA)
where:
Base-Base interactions energy: -89.340
where: short stacking energy: -33.135
Base-Backbone interact. energy: -0.035
local terms energy: -51.782732
where:
bonds (distance) C4'-P energy: -8.503
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -10.265
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -10.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -73.502396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.502396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.502396 (E_RNA)
where:
Base-Base interactions energy: -29.665
where: short stacking energy: -22.313
Base-Backbone interact. energy: -0.304
local terms energy: -43.533802
where:
bonds (distance) C4'-P energy: -11.836
bonds (distance) P-C4' energy: -11.135
flat angles C4'-P-C4' energy: -8.759
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -2.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -86.447787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.447787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.447787 (E_RNA)
where:
Base-Base interactions energy: -47.995
where: short stacking energy: -16.697
Base-Backbone interact. energy: -1.043
local terms energy: -37.409531
where:
bonds (distance) C4'-P energy: -9.349
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -9.133
flat angles P-C4'-P energy: -6.502
tors. eta vs tors. theta energy: 0.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -66.577646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.577646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.577646 (E_RNA)
where:
Base-Base interactions energy: -30.234
where: short stacking energy: -23.172
Base-Backbone interact. energy: -0.170
local terms energy: -36.173757
where:
bonds (distance) C4'-P energy: -10.122
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -7.871
flat angles P-C4'-P energy: -5.574
tors. eta vs tors. theta energy: -0.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -70.659013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.659013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.659013 (E_RNA)
where:
Base-Base interactions energy: -40.011
where: short stacking energy: -15.274
Base-Backbone interact. energy: -0.304
local terms energy: -30.344315
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -5.192
flat angles C4'-P-C4' energy: -11.598
flat angles P-C4'-P energy: -3.222
tors. eta vs tors. theta energy: 2.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -63.235243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.235243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.235243 (E_RNA)
where:
Base-Base interactions energy: -29.777
where: short stacking energy: -21.935
Base-Backbone interact. energy: -0.015
local terms energy: -33.444147
where:
bonds (distance) C4'-P energy: -8.660
bonds (distance) P-C4' energy: -12.249
flat angles C4'-P-C4' energy: -5.120
flat angles P-C4'-P energy: -6.203
tors. eta vs tors. theta energy: -1.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -57.194759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.194759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.194759 (E_RNA)
where:
Base-Base interactions energy: -24.588
where: short stacking energy: -12.606
Base-Backbone interact. energy: -0.052
local terms energy: -32.554244
where:
bonds (distance) C4'-P energy: -10.785
bonds (distance) P-C4' energy: -8.248
flat angles C4'-P-C4' energy: -11.095
flat angles P-C4'-P energy: -3.982
tors. eta vs tors. theta energy: 1.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -149.446024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.446024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.446024 (E_RNA)
where:
Base-Base interactions energy: -90.368
where: short stacking energy: -37.442
Base-Backbone interact. energy: 0.068
local terms energy: -59.146112
where:
bonds (distance) C4'-P energy: -11.236
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -13.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -151.873176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.873176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.873176 (E_RNA)
where:
Base-Base interactions energy: -101.652
where: short stacking energy: -43.211
Base-Backbone interact. energy: 0.074
local terms energy: -50.294632
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -9.590
flat angles C4'-P-C4' energy: -9.769
flat angles P-C4'-P energy: -6.325
tors. eta vs tors. theta energy: -12.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -142.740193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.740193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.740193 (E_RNA)
where:
Base-Base interactions energy: -88.684
where: short stacking energy: -38.664
Base-Backbone interact. energy: -0.001
local terms energy: -54.054901
where:
bonds (distance) C4'-P energy: -11.211
bonds (distance) P-C4' energy: -11.256
flat angles C4'-P-C4' energy: -10.150
flat angles P-C4'-P energy: -5.324
tors. eta vs tors. theta energy: -16.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -148.635797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.635797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.635797 (E_RNA)
where:
Base-Base interactions energy: -103.817
where: short stacking energy: -35.876
Base-Backbone interact. energy: -0.001
local terms energy: -44.817364
where:
bonds (distance) C4'-P energy: -8.520
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -4.375
flat angles P-C4'-P energy: -5.386
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: 5, replica: 4
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -134.382238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.382238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.382238 (E_RNA)
where:
Base-Base interactions energy: -80.236
where: short stacking energy: -39.302
Base-Backbone interact. energy: -0.151
local terms energy: -53.994512
where:
bonds (distance) C4'-P energy: -10.455
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -5.153
tors. eta vs tors. theta energy: -12.263
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: 192
Temperature: 1.150000
Total energy: -76.651597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.651597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.651597 (E_RNA)
where:
Base-Base interactions energy: -32.781
where: short stacking energy: -11.952
Base-Backbone interact. energy: -1.390
local terms energy: -42.481012
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -11.467
flat angles C4'-P-C4' energy: -11.082
flat angles P-C4'-P energy: -6.741
tors. eta vs tors. theta energy: -1.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -71.467162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.467162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.467162 (E_RNA)
where:
Base-Base interactions energy: -30.200
where: short stacking energy: -19.302
Base-Backbone interact. energy: -0.226
local terms energy: -41.041025
where:
bonds (distance) C4'-P energy: -12.030
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -6.165
flat angles P-C4'-P energy: -7.499
tors. eta vs tors. theta energy: -2.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -74.306919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.306919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.306919 (E_RNA)
where:
Base-Base interactions energy: -37.942
where: short stacking energy: -19.483
Base-Backbone interact. energy: -0.018
local terms energy: -36.346946
where:
bonds (distance) C4'-P energy: -11.406
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -10.133
flat angles P-C4'-P energy: -3.363
tors. eta vs tors. theta energy: 0.746
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: 3
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -57.616536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.616536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.616536 (E_RNA)
where:
Base-Base interactions energy: -15.670
where: short stacking energy: -12.643
Base-Backbone interact. energy: -0.142
local terms energy: -41.804512
where:
bonds (distance) C4'-P energy: -9.062
bonds (distance) P-C4' energy: -9.676
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -5.116
tors. eta vs tors. theta energy: -5.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -62.269387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.269387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.269387 (E_RNA)
where:
Base-Base interactions energy: -19.741
where: short stacking energy: -14.616
Base-Backbone interact. energy: 1.046
local terms energy: -43.574338
where:
bonds (distance) C4'-P energy: -12.325
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -6.540
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -2.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -163.242876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.242876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.242876 (E_RNA)
where:
Base-Base interactions energy: -107.621
where: short stacking energy: -45.275
Base-Backbone interact. energy: -0.001
local terms energy: -55.621187
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -12.059
flat angles P-C4'-P energy: -5.897
tors. eta vs tors. theta energy: -11.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -148.559598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.559598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.559598 (E_RNA)
where:
Base-Base interactions energy: -101.039
where: short stacking energy: -33.206
Base-Backbone interact. energy: -0.855
local terms energy: -46.665980
where:
bonds (distance) C4'-P energy: -12.482
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -8.431
flat angles P-C4'-P energy: -6.068
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: 3, replica: 5
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -139.554261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.554261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.554261 (E_RNA)
where:
Base-Base interactions energy: -94.286
where: short stacking energy: -33.447
Base-Backbone interact. energy: -0.157
local terms energy: -45.111451
where:
bonds (distance) C4'-P energy: -11.534
bonds (distance) P-C4' energy: -9.919
flat angles C4'-P-C4' energy: -9.525
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -5.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -137.864704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.864704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.864704 (E_RNA)
where:
Base-Base interactions energy: -85.342
where: short stacking energy: -30.086
Base-Backbone interact. energy: -0.107
local terms energy: -52.416060
where:
bonds (distance) C4'-P energy: -11.737
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -10.443
flat angles P-C4'-P energy: -8.060
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: 5, replica: 4
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -134.656295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.656295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.656295 (E_RNA)
where:
Base-Base interactions energy: -83.957
where: short stacking energy: -31.811
Base-Backbone interact. energy: -0.013
local terms energy: -50.687016
where:
bonds (distance) C4'-P energy: -9.291
bonds (distance) P-C4' energy: -9.725
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -9.995
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: 193
Temperature: 1.150000
Total energy: -117.384758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.384758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.384758 (E_RNA)
where:
Base-Base interactions energy: -70.868
where: short stacking energy: -34.618
Base-Backbone interact. energy: -0.409
local terms energy: -46.107750
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -6.177
flat angles C4'-P-C4' energy: -10.571
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -7.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -72.293608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.293608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.293608 (E_RNA)
where:
Base-Base interactions energy: -33.758
where: short stacking energy: -8.164
Base-Backbone interact. energy: -0.055
local terms energy: -38.480001
where:
bonds (distance) C4'-P energy: -12.171
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -10.558
flat angles P-C4'-P energy: -4.071
tors. eta vs tors. theta energy: 0.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -62.144793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.144793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.144793 (E_RNA)
where:
Base-Base interactions energy: -18.304
where: short stacking energy: -18.304
Base-Backbone interact. energy: -0.260
local terms energy: -43.581448
where:
bonds (distance) C4'-P energy: -10.962
bonds (distance) P-C4' energy: -10.654
flat angles C4'-P-C4' energy: -12.702
flat angles P-C4'-P energy: -7.979
tors. eta vs tors. theta energy: -1.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -75.454779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.454779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.454779 (E_RNA)
where:
Base-Base interactions energy: -49.253
where: short stacking energy: -19.300
Base-Backbone interact. energy: -0.117
local terms energy: -26.085230
where:
bonds (distance) C4'-P energy: -6.169
bonds (distance) P-C4' energy: -6.704
flat angles C4'-P-C4' energy: -4.077
flat angles P-C4'-P energy: -4.177
tors. eta vs tors. theta energy: -4.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -69.093254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.093254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.093254 (E_RNA)
where:
Base-Base interactions energy: -28.296
where: short stacking energy: -12.032
Base-Backbone interact. energy: -0.157
local terms energy: -40.640730
where:
bonds (distance) C4'-P energy: -10.598
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -8.598
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: 0.712
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: 1, replica: 6
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -159.352129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.352129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.352129 (E_RNA)
where:
Base-Base interactions energy: -108.468
where: short stacking energy: -33.935
Base-Backbone interact. energy: -0.119
local terms energy: -50.764989
where:
bonds (distance) C4'-P energy: -9.866
bonds (distance) P-C4' energy: -11.476
flat angles C4'-P-C4' energy: -9.147
flat angles P-C4'-P energy: -7.546
tors. eta vs tors. theta energy: -12.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -142.200072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.200072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.200072 (E_RNA)
where:
Base-Base interactions energy: -91.003
where: short stacking energy: -35.567
Base-Backbone interact. energy: -0.448
local terms energy: -50.749122
where:
bonds (distance) C4'-P energy: -11.646
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -10.588
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -6.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -138.593303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.593303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.593303 (E_RNA)
where:
Base-Base interactions energy: -93.313
where: short stacking energy: -35.666
Base-Backbone interact. energy: -0.033
local terms energy: -45.247041
where:
bonds (distance) C4'-P energy: -10.065
bonds (distance) P-C4' energy: -9.332
flat angles C4'-P-C4' energy: -9.722
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -7.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -118.087888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.087888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.087888 (E_RNA)
where:
Base-Base interactions energy: -73.881
where: short stacking energy: -31.421
Base-Backbone interact. energy: -0.132
local terms energy: -44.075441
where:
bonds (distance) C4'-P energy: -10.773
bonds (distance) P-C4' energy: -9.143
flat angles C4'-P-C4' energy: -9.041
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -8.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -114.655143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.655143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.655143 (E_RNA)
where:
Base-Base interactions energy: -68.656
where: short stacking energy: -28.948
Base-Backbone interact. energy: -0.951
local terms energy: -45.048021
where:
bonds (distance) C4'-P energy: -7.643
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -10.177
flat angles P-C4'-P energy: -5.441
tors. eta vs tors. theta energy: -7.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -130.146685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.146685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.146685 (E_RNA)
where:
Base-Base interactions energy: -80.311
where: short stacking energy: -36.685
Base-Backbone interact. energy: -0.052
local terms energy: -49.783384
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -9.914
flat angles C4'-P-C4' energy: -10.491
flat angles P-C4'-P energy: -4.627
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: 7, replica: 7
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -65.089036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.089036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.089036 (E_RNA)
where:
Base-Base interactions energy: -27.879
where: short stacking energy: -13.918
Base-Backbone interact. energy: 0.187
local terms energy: -37.396663
where:
bonds (distance) C4'-P energy: -9.426
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -11.068
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: 2.283
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: 194
Temperature: 1.250000
Total energy: -65.790670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.790670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.790670 (E_RNA)
where:
Base-Base interactions energy: -30.018
where: short stacking energy: -20.995
Base-Backbone interact. energy: -0.113
local terms energy: -35.659943
where:
bonds (distance) C4'-P energy: -9.185
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -5.635
flat angles P-C4'-P energy: -3.882
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: 9, replica: 2
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -71.329210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.329210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.329210 (E_RNA)
where:
Base-Base interactions energy: -33.184
where: short stacking energy: -14.280
Base-Backbone interact. energy: -0.073
local terms energy: -38.072054
where:
bonds (distance) C4'-P energy: -11.062
bonds (distance) P-C4' energy: -12.262
flat angles C4'-P-C4' energy: -7.643
flat angles P-C4'-P energy: -6.635
tors. eta vs tors. theta energy: -0.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -63.230781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.230781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.230781 (E_RNA)
where:
Base-Base interactions energy: -25.596
where: short stacking energy: -15.362
Base-Backbone interact. energy: -0.734
local terms energy: -36.900709
where:
bonds (distance) C4'-P energy: -7.895
bonds (distance) P-C4' energy: -11.730
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -5.496
tors. eta vs tors. theta energy: 0.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -155.311380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.311380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.311380 (E_RNA)
where:
Base-Base interactions energy: -102.754
where: short stacking energy: -40.594
Base-Backbone interact. energy: -0.273
local terms energy: -52.283437
where:
bonds (distance) C4'-P energy: -10.975
bonds (distance) P-C4' energy: -11.252
flat angles C4'-P-C4' energy: -10.960
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -10.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -143.824189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.824189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.824189 (E_RNA)
where:
Base-Base interactions energy: -93.935
where: short stacking energy: -38.930
Base-Backbone interact. energy: 0.029
local terms energy: -49.918324
where:
bonds (distance) C4'-P energy: -9.808
bonds (distance) P-C4' energy: -10.137
flat angles C4'-P-C4' energy: -10.723
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -9.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -141.245743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.245743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.245743 (E_RNA)
where:
Base-Base interactions energy: -86.429
where: short stacking energy: -30.141
Base-Backbone interact. energy: -0.566
local terms energy: -54.250695
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -11.662
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -6.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -136.162966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.162966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.162966 (E_RNA)
where:
Base-Base interactions energy: -91.930
where: short stacking energy: -25.386
Base-Backbone interact. energy: -0.569
local terms energy: -43.664082
where:
bonds (distance) C4'-P energy: -12.295
bonds (distance) P-C4' energy: -11.888
flat angles C4'-P-C4' energy: -5.331
flat angles P-C4'-P energy: -4.721
tors. eta vs tors. theta energy: -9.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -80.016842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.016842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.016842 (E_RNA)
where:
Base-Base interactions energy: -33.254
where: short stacking energy: -25.728
Base-Backbone interact. energy: -0.172
local terms energy: -46.590704
where:
bonds (distance) C4'-P energy: -9.569
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -8.037
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: 195
Temperature: 1.150000
Total energy: -136.430511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.430511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.430511 (E_RNA)
where:
Base-Base interactions energy: -92.575
where: short stacking energy: -25.318
Base-Backbone interact. energy: -0.136
local terms energy: -43.719108
where:
bonds (distance) C4'-P energy: -9.087
bonds (distance) P-C4' energy: -12.632
flat angles C4'-P-C4' energy: -11.710
flat angles P-C4'-P energy: 0.559
tors. eta vs tors. theta energy: -10.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -71.857462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.857462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.857462 (E_RNA)
where:
Base-Base interactions energy: -35.881
where: short stacking energy: -14.477
Base-Backbone interact. energy: -0.623
local terms energy: -35.353692
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -10.062
flat angles C4'-P-C4' energy: -9.632
flat angles P-C4'-P energy: -4.873
tors. eta vs tors. theta energy: 1.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -61.928892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.928892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.928892 (E_RNA)
where:
Base-Base interactions energy: -22.034
where: short stacking energy: -8.608
Base-Backbone interact. energy: -0.256
local terms energy: -39.638967
where:
bonds (distance) C4'-P energy: -10.925
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -8.488
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: 1.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -60.426099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.426099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.426099 (E_RNA)
where:
Base-Base interactions energy: -26.079
where: short stacking energy: -15.645
Base-Backbone interact. energy: -0.370
local terms energy: -33.976501
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -8.688
flat angles C4'-P-C4' energy: -8.684
flat angles P-C4'-P energy: -6.794
tors. eta vs tors. theta energy: 2.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -67.847729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.847729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.847729 (E_RNA)
where:
Base-Base interactions energy: -34.917
where: short stacking energy: -25.110
Base-Backbone interact. energy: -0.018
local terms energy: -32.912199
where:
bonds (distance) C4'-P energy: -7.142
bonds (distance) P-C4' energy: -11.657
flat angles C4'-P-C4' energy: -7.333
flat angles P-C4'-P energy: -4.243
tors. eta vs tors. theta energy: -2.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -144.412549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.412549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.412549 (E_RNA)
where:
Base-Base interactions energy: -87.760
where: short stacking energy: -39.326
Base-Backbone interact. energy: -0.055
local terms energy: -56.597131
where:
bonds (distance) C4'-P energy: -13.985
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -3.068
tors. eta vs tors. theta energy: -14.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -150.081793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.081793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.081793 (E_RNA)
where:
Base-Base interactions energy: -98.148
where: short stacking energy: -33.029
Base-Backbone interact. energy: -0.041
local terms energy: -51.893234
where:
bonds (distance) C4'-P energy: -11.054
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -9.226
flat angles P-C4'-P energy: -7.725
tors. eta vs tors. theta energy: -11.962
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: 196
Temperature: 1.000000
Total energy: -135.420401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.420401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.420401 (E_RNA)
where:
Base-Base interactions energy: -81.994
where: short stacking energy: -30.343
Base-Backbone interact. energy: 0.321
local terms energy: -53.746830
where:
bonds (distance) C4'-P energy: -10.814
bonds (distance) P-C4' energy: -10.735
flat angles C4'-P-C4' energy: -12.130
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -11.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -141.646776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.646776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.646776 (E_RNA)
where:
Base-Base interactions energy: -94.905
where: short stacking energy: -36.074
Base-Backbone interact. energy: 0.123
local terms energy: -46.864626
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -12.355
flat angles C4'-P-C4' energy: -8.797
flat angles P-C4'-P energy: -2.663
tors. eta vs tors. theta energy: -10.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -134.021549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.021549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.021549 (E_RNA)
where:
Base-Base interactions energy: -79.901
where: short stacking energy: -37.067
Base-Backbone interact. energy: -0.009
local terms energy: -54.111571
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -10.749
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -7.170
tors. eta vs tors. theta energy: -10.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -90.720331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.720331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.720331 (E_RNA)
where:
Base-Base interactions energy: -45.655
where: short stacking energy: -18.421
Base-Backbone interact. energy: -0.124
local terms energy: -44.941750
where:
bonds (distance) C4'-P energy: -10.159
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -9.582
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -3.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -75.544731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.544731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.544731 (E_RNA)
where:
Base-Base interactions energy: -33.509
where: short stacking energy: -21.381
Base-Backbone interact. energy: -0.060
local terms energy: -41.976222
where:
bonds (distance) C4'-P energy: -12.448
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -8.164
flat angles P-C4'-P energy: -4.889
tors. eta vs tors. theta energy: -3.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -69.429740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.429740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.429740 (E_RNA)
where:
Base-Base interactions energy: -24.048
where: short stacking energy: -24.048
Base-Backbone interact. energy: -0.077
local terms energy: -45.304647
where:
bonds (distance) C4'-P energy: -12.768
bonds (distance) P-C4' energy: -11.079
flat angles C4'-P-C4' energy: -9.103
flat angles P-C4'-P energy: -5.756
tors. eta vs tors. theta energy: -6.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -56.589948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.589948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.589948 (E_RNA)
where:
Base-Base interactions energy: -15.729
where: short stacking energy: -6.466
Base-Backbone interact. energy: -0.016
local terms energy: -40.844514
where:
bonds (distance) C4'-P energy: -11.708
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -9.103
flat angles P-C4'-P energy: -4.871
tors. eta vs tors. theta energy: -2.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -54.698027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.698027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.698027 (E_RNA)
where:
Base-Base interactions energy: -18.355
where: short stacking energy: -17.128
Base-Backbone interact. energy: -0.138
local terms energy: -36.204205
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -9.374
flat angles C4'-P-C4' energy: -9.374
flat angles P-C4'-P energy: -6.254
tors. eta vs tors. theta energy: -4.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -147.015245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.015245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.015245 (E_RNA)
where:
Base-Base interactions energy: -84.679
where: short stacking energy: -41.647
Base-Backbone interact. energy: -0.873
local terms energy: -61.464013
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -12.202
flat angles P-C4'-P energy: -11.192
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: 2, replica: 6
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -150.274612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.274612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.274612 (E_RNA)
where:
Base-Base interactions energy: -95.385
where: short stacking energy: -34.090
Base-Backbone interact. energy: 0.184
local terms energy: -55.074249
where:
bonds (distance) C4'-P energy: -10.947
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -11.180
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -10.882
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: 197
Temperature: 1.000000
Total energy: -154.956718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.956718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.956718 (E_RNA)
where:
Base-Base interactions energy: -107.472
where: short stacking energy: -32.902
Base-Backbone interact. energy: -0.475
local terms energy: -47.009511
where:
bonds (distance) C4'-P energy: -9.170
bonds (distance) P-C4' energy: -11.851
flat angles C4'-P-C4' energy: -6.070
flat angles P-C4'-P energy: -7.449
tors. eta vs tors. theta energy: -12.469
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: 4
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -128.603989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.603989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.603989 (E_RNA)
where:
Base-Base interactions energy: -82.392
where: short stacking energy: -33.883
Base-Backbone interact. energy: -0.015
local terms energy: -46.196404
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -10.486
flat angles C4'-P-C4' energy: -9.058
flat angles P-C4'-P energy: -4.684
tors. eta vs tors. theta energy: -8.998
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: 197
Temperature: 1.100000
Total energy: -129.159236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.159236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.159236 (E_RNA)
where:
Base-Base interactions energy: -77.199
where: short stacking energy: -26.754
Base-Backbone interact. energy: -0.164
local terms energy: -51.796611
where:
bonds (distance) C4'-P energy: -10.868
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -10.375
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -8.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -68.978799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.978799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.978799 (E_RNA)
where:
Base-Base interactions energy: -22.848
where: short stacking energy: -22.948
Base-Backbone interact. energy: -0.049
local terms energy: -46.081940
where:
bonds (distance) C4'-P energy: -12.706
bonds (distance) P-C4' energy: -11.224
flat angles C4'-P-C4' energy: -8.048
flat angles P-C4'-P energy: -8.831
tors. eta vs tors. theta energy: -5.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -76.147008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.147008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.147008 (E_RNA)
where:
Base-Base interactions energy: -32.864
where: short stacking energy: -21.563
Base-Backbone interact. energy: -0.117
local terms energy: -43.165632
where:
bonds (distance) C4'-P energy: -9.394
bonds (distance) P-C4' energy: -13.178
flat angles C4'-P-C4' energy: -9.957
flat angles P-C4'-P energy: -6.158
tors. eta vs tors. theta energy: -4.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -61.077369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.077369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.077369 (E_RNA)
where:
Base-Base interactions energy: -22.940
where: short stacking energy: -22.940
Base-Backbone interact. energy: -0.006
local terms energy: -38.131651
where:
bonds (distance) C4'-P energy: -10.308
bonds (distance) P-C4' energy: -7.855
flat angles C4'-P-C4' energy: -10.101
flat angles P-C4'-P energy: -7.624
tors. eta vs tors. theta energy: -2.243
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: 197
Temperature: 1.300000
Total energy: -63.148989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.148989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.148989 (E_RNA)
where:
Base-Base interactions energy: -31.770
where: short stacking energy: -15.130
Base-Backbone interact. energy: -0.124
local terms energy: -31.254481
where:
bonds (distance) C4'-P energy: -8.130
bonds (distance) P-C4' energy: -12.195
flat angles C4'-P-C4' energy: -7.997
flat angles P-C4'-P energy: -4.530
tors. eta vs tors. theta energy: 1.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -52.300105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.300105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.300105 (E_RNA)
where:
Base-Base interactions energy: -15.112
where: short stacking energy: -13.218
Base-Backbone interact. energy: -0.018
local terms energy: -37.169323
where:
bonds (distance) C4'-P energy: -7.488
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -10.269
flat angles P-C4'-P energy: -6.662
tors. eta vs tors. theta energy: 0.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -145.462000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.462000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.462000 (E_RNA)
where:
Base-Base interactions energy: -86.591
where: short stacking energy: -42.521
Base-Backbone interact. energy: 0.297
local terms energy: -59.167920
where:
bonds (distance) C4'-P energy: -13.861
bonds (distance) P-C4' energy: -10.740
flat angles C4'-P-C4' energy: -11.277
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -12.516
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: 198
Temperature: 0.950000
Total energy: -135.256071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.256071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.256071 (E_RNA)
where:
Base-Base interactions energy: -77.125
where: short stacking energy: -35.848
Base-Backbone interact. energy: -0.659
local terms energy: -57.471571
where:
bonds (distance) C4'-P energy: -10.148
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -8.662
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: 4
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -140.410788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.410788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.410788 (E_RNA)
where:
Base-Base interactions energy: -89.375
where: short stacking energy: -31.041
Base-Backbone interact. energy: 0.660
local terms energy: -51.696193
where:
bonds (distance) C4'-P energy: -8.788
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -12.173
flat angles P-C4'-P energy: -8.257
tors. eta vs tors. theta energy: -9.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -142.677047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.677047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.677047 (E_RNA)
where:
Base-Base interactions energy: -98.200
where: short stacking energy: -32.680
Base-Backbone interact. energy: -0.027
local terms energy: -44.450134
where:
bonds (distance) C4'-P energy: -7.866
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -13.115
flat angles P-C4'-P energy: -3.660
tors. eta vs tors. theta energy: -6.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -138.532268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.532268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.532268 (E_RNA)
where:
Base-Base interactions energy: -88.166
where: short stacking energy: -33.419
Base-Backbone interact. energy: -0.021
local terms energy: -50.344968
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -11.476
flat angles C4'-P-C4' energy: -11.281
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -6.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -71.867893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.867893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.867893 (E_RNA)
where:
Base-Base interactions energy: -23.462
where: short stacking energy: -23.462
Base-Backbone interact. energy: -0.118
local terms energy: -48.288071
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -8.111
flat angles C4'-P-C4' energy: -10.608
flat angles P-C4'-P energy: -8.734
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: 7, replica: 8
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -64.804018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.804018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.804018 (E_RNA)
where:
Base-Base interactions energy: -39.405
where: short stacking energy: -10.293
Base-Backbone interact. energy: -0.278
local terms energy: -25.121299
where:
bonds (distance) C4'-P energy: -9.034
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -6.361
flat angles P-C4'-P energy: -2.313
tors. eta vs tors. theta energy: 3.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -63.603734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.603734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.603734 (E_RNA)
where:
Base-Base interactions energy: -21.785
where: short stacking energy: -17.081
Base-Backbone interact. energy: -0.001
local terms energy: -41.818143
where:
bonds (distance) C4'-P energy: -10.163
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -9.020
flat angles P-C4'-P energy: -4.001
tors. eta vs tors. theta energy: -5.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -56.583019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.583019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.583019 (E_RNA)
where:
Base-Base interactions energy: -13.959
where: short stacking energy: -13.959
Base-Backbone interact. energy: -0.078
local terms energy: -42.545815
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -12.357
flat angles P-C4'-P energy: -5.940
tors. eta vs tors. theta energy: 0.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -58.718148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.718148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.718148 (E_RNA)
where:
Base-Base interactions energy: -29.125
where: short stacking energy: -12.492
Base-Backbone interact. energy: -0.412
local terms energy: -29.181868
where:
bonds (distance) C4'-P energy: -6.519
bonds (distance) P-C4' energy: -10.689
flat angles C4'-P-C4' energy: -7.907
flat angles P-C4'-P energy: -5.924
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: 1
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -145.297186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.297186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.297186 (E_RNA)
where:
Base-Base interactions energy: -89.963
where: short stacking energy: -38.176
Base-Backbone interact. energy: -0.000
local terms energy: -55.333497
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -11.090
flat angles C4'-P-C4' energy: -9.357
flat angles P-C4'-P energy: -8.089
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: 2, replica: 4
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -153.800051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.800051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.800051 (E_RNA)
where:
Base-Base interactions energy: -100.843
where: short stacking energy: -45.082
Base-Backbone interact. energy: -0.108
local terms energy: -52.849700
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -9.264
flat angles P-C4'-P energy: -4.909
tors. eta vs tors. theta energy: -14.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -148.370311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.370311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.370311 (E_RNA)
where:
Base-Base interactions energy: -100.381
where: short stacking energy: -34.850
Base-Backbone interact. energy: -0.027
local terms energy: -47.962167
where:
bonds (distance) C4'-P energy: -9.833
bonds (distance) P-C4' energy: -10.897
flat angles C4'-P-C4' energy: -11.902
flat angles P-C4'-P energy: -6.123
tors. eta vs tors. theta energy: -9.208
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: 10
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -131.098120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.098120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.098120 (E_RNA)
where:
Base-Base interactions energy: -84.720
where: short stacking energy: -32.218
Base-Backbone interact. energy: -0.004
local terms energy: -46.374040
where:
bonds (distance) C4'-P energy: -7.958
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -3.741
tors. eta vs tors. theta energy: -7.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -126.360548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.360548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.360548 (E_RNA)
where:
Base-Base interactions energy: -86.176
where: short stacking energy: -26.482
Base-Backbone interact. energy: -0.459
local terms energy: -39.724894
where:
bonds (distance) C4'-P energy: -9.646
bonds (distance) P-C4' energy: -10.488
flat angles C4'-P-C4' energy: -4.973
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -5.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -79.568306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.568306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.568306 (E_RNA)
where:
Base-Base interactions energy: -33.749
where: short stacking energy: -19.078
Base-Backbone interact. energy: -0.066
local terms energy: -45.753784
where:
bonds (distance) C4'-P energy: -10.945
bonds (distance) P-C4' energy: -9.645
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -1.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -68.766718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.766718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.766718 (E_RNA)
where:
Base-Base interactions energy: -26.618
where: short stacking energy: -26.247
Base-Backbone interact. energy: -0.087
local terms energy: -42.061370
where:
bonds (distance) C4'-P energy: -9.700
bonds (distance) P-C4' energy: -11.269
flat angles C4'-P-C4' energy: -9.972
flat angles P-C4'-P energy: -6.683
tors. eta vs tors. theta energy: -4.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -61.870838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.870838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.870838 (E_RNA)
where:
Base-Base interactions energy: -23.546
where: short stacking energy: -23.137
Base-Backbone interact. energy: -0.027
local terms energy: -38.298263
where:
bonds (distance) C4'-P energy: -5.705
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -8.581
flat angles P-C4'-P energy: -6.572
tors. eta vs tors. theta energy: -3.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -57.371961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.371961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.371961 (E_RNA)
where:
Base-Base interactions energy: -19.805
where: short stacking energy: -19.805
Base-Backbone interact. energy: -0.028
local terms energy: -37.539265
where:
bonds (distance) C4'-P energy: -8.393
bonds (distance) P-C4' energy: -11.721
flat angles C4'-P-C4' energy: -8.677
flat angles P-C4'-P energy: -5.454
tors. eta vs tors. theta energy: -3.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -52.733793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.733793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.733793 (E_RNA)
where:
Base-Base interactions energy: -16.333
where: short stacking energy: -16.333
Base-Backbone interact. energy: -0.195
local terms energy: -36.206311
where:
bonds (distance) C4'-P energy: -6.951
bonds (distance) P-C4' energy: -11.007
flat angles C4'-P-C4' energy: -10.099
flat angles P-C4'-P energy: -8.200
tors. eta vs tors. theta energy: 0.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -149.694922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.694922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.694922 (E_RNA)
where:
Base-Base interactions energy: -98.088
where: short stacking energy: -37.337
Base-Backbone interact. energy: -0.071
local terms energy: -51.536235
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -9.882
flat angles C4'-P-C4' energy: -10.534
flat angles P-C4'-P energy: -6.202
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: 2, replica: 1
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -148.848392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.848392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.848392 (E_RNA)
where:
Base-Base interactions energy: -90.261
where: short stacking energy: -41.951
Base-Backbone interact. energy: -0.000
local terms energy: -58.587000
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -10.720
flat angles P-C4'-P energy: -6.718
tors. eta vs tors. theta energy: -15.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -155.094982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.094982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.094982 (E_RNA)
where:
Base-Base interactions energy: -97.678
where: short stacking energy: -40.123
Base-Backbone interact. energy: -0.123
local terms energy: -57.294103
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -10.753
flat angles P-C4'-P energy: -5.907
tors. eta vs tors. theta energy: -13.640
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: 4, replica: 10
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -139.909792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.909792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.909792 (E_RNA)
where:
Base-Base interactions energy: -87.685
where: short stacking energy: -34.886
Base-Backbone interact. energy: -0.127
local terms energy: -52.097473
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -7.819
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -12.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -122.703270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.703270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.703270 (E_RNA)
where:
Base-Base interactions energy: -77.197
where: short stacking energy: -30.385
Base-Backbone interact. energy: -0.068
local terms energy: -45.438924
where:
bonds (distance) C4'-P energy: -7.696
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -10.655
flat angles P-C4'-P energy: -4.626
tors. eta vs tors. theta energy: -9.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -68.993944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.993944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.993944 (E_RNA)
where:
Base-Base interactions energy: -31.154
where: short stacking energy: -16.785
Base-Backbone interact. energy: -0.132
local terms energy: -37.707357
where:
bonds (distance) C4'-P energy: -4.941
bonds (distance) P-C4' energy: -10.888
flat angles C4'-P-C4' energy: -9.474
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: -4.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -93.083818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.083818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.083818 (E_RNA)
where:
Base-Base interactions energy: -47.464
where: short stacking energy: -23.199
Base-Backbone interact. energy: 0.071
local terms energy: -45.690265
where:
bonds (distance) C4'-P energy: -9.464
bonds (distance) P-C4' energy: -10.562
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -6.081
tors. eta vs tors. theta energy: -7.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -58.181764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.181764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.181764 (E_RNA)
where:
Base-Base interactions energy: -12.542
where: short stacking energy: -12.542
Base-Backbone interact. energy: -0.061
local terms energy: -45.578130
where:
bonds (distance) C4'-P energy: -12.047
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -8.114
tors. eta vs tors. theta energy: 1.078
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: 2
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -57.393292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.393292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.393292 (E_RNA)
where:
Base-Base interactions energy: -15.528
where: short stacking energy: -12.313
Base-Backbone interact. energy: -0.164
local terms energy: -41.700670
where:
bonds (distance) C4'-P energy: -9.606
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -8.768
flat angles P-C4'-P energy: -7.879
tors. eta vs tors. theta energy: -2.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -62.045709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.045709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.045709 (E_RNA)
where:
Base-Base interactions energy: -24.925
where: short stacking energy: -20.029
Base-Backbone interact. energy: -0.107
local terms energy: -37.014233
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -9.330
flat angles C4'-P-C4' energy: -10.904
flat angles P-C4'-P energy: -4.997
tors. eta vs tors. theta energy: 0.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -145.593536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.593536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.593536 (E_RNA)
where:
Base-Base interactions energy: -96.910
where: short stacking energy: -40.042
Base-Backbone interact. energy: -0.002
local terms energy: -48.680788
where:
bonds (distance) C4'-P energy: -9.382
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -10.576
flat angles P-C4'-P energy: -4.309
tors. eta vs tors. theta energy: -11.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -140.406996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.406996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.406996 (E_RNA)
where:
Base-Base interactions energy: -90.795
where: short stacking energy: -36.150
Base-Backbone interact. energy: -0.104
local terms energy: -49.507899
where:
bonds (distance) C4'-P energy: -11.352
bonds (distance) P-C4' energy: -8.915
flat angles C4'-P-C4' energy: -11.490
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -7.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -140.049556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.049556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.049556 (E_RNA)
where:
Base-Base interactions energy: -89.727
where: short stacking energy: -28.750
Base-Backbone interact. energy: 1.366
local terms energy: -51.688909
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -11.021
flat angles C4'-P-C4' energy: -10.948
flat angles P-C4'-P energy: -8.842
tors. eta vs tors. theta energy: -8.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -140.887266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.887266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.887266 (E_RNA)
where:
Base-Base interactions energy: -95.729
where: short stacking energy: -30.763
Base-Backbone interact. energy: 1.094
local terms energy: -46.252379
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -8.928
flat angles P-C4'-P energy: -4.148
tors. eta vs tors. theta energy: -9.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -124.032410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.032410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.032410 (E_RNA)
where:
Base-Base interactions energy: -76.027
where: short stacking energy: -32.436
Base-Backbone interact. energy: -1.252
local terms energy: -46.753404
where:
bonds (distance) C4'-P energy: -12.043
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -7.025
tors. eta vs tors. theta energy: -2.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -92.334323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.334323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.334323 (E_RNA)
where:
Base-Base interactions energy: -52.941
where: short stacking energy: -17.268
Base-Backbone interact. energy: -0.778
local terms energy: -38.615496
where:
bonds (distance) C4'-P energy: -7.605
bonds (distance) P-C4' energy: -9.187
flat angles C4'-P-C4' energy: -11.117
flat angles P-C4'-P energy: -6.533
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: 7, replica: 8
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -66.182029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.182029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.182029 (E_RNA)
where:
Base-Base interactions energy: -32.349
where: short stacking energy: -20.694
Base-Backbone interact. energy: -0.854
local terms energy: -32.979154
where:
bonds (distance) C4'-P energy: -5.730
bonds (distance) P-C4' energy: -10.619
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -3.582
tors. eta vs tors. theta energy: -0.867
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: 2
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -57.151593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.151593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.151593 (E_RNA)
where:
Base-Base interactions energy: -13.241
where: short stacking energy: -7.515
Base-Backbone interact. energy: -0.023
local terms energy: -43.887845
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -10.875
flat angles P-C4'-P energy: -8.188
tors. eta vs tors. theta energy: -0.944
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: 9, replica: 7
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -59.204069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.204069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.204069 (E_RNA)
where:
Base-Base interactions energy: -19.283
where: short stacking energy: -19.283
Base-Backbone interact. energy: -0.087
local terms energy: -39.834328
where:
bonds (distance) C4'-P energy: -10.201
bonds (distance) P-C4' energy: -10.706
flat angles C4'-P-C4' energy: -10.103
flat angles P-C4'-P energy: -4.835
tors. eta vs tors. theta energy: -3.989
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: 10, replica: 5
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -58.977828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.977828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.977828 (E_RNA)
where:
Base-Base interactions energy: -23.157
where: short stacking energy: -18.451
Base-Backbone interact. energy: 1.755
local terms energy: -37.575512
where:
bonds (distance) C4'-P energy: -7.506
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -8.061
flat angles P-C4'-P energy: -7.344
tors. eta vs tors. theta energy: -2.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -154.494960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.494960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.494960 (E_RNA)
where:
Base-Base interactions energy: -102.931
where: short stacking energy: -40.866
Base-Backbone interact. energy: -0.035
local terms energy: -51.528410
where:
bonds (distance) C4'-P energy: -10.007
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -5.104
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: 2, replica: 4
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -145.767999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.767999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.767999 (E_RNA)
where:
Base-Base interactions energy: -97.922
where: short stacking energy: -40.663
Base-Backbone interact. energy: -0.011
local terms energy: -47.835315
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -10.256
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -4.688
tors. eta vs tors. theta energy: -9.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -139.181595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.181595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.181595 (E_RNA)
where:
Base-Base interactions energy: -103.397
where: short stacking energy: -35.722
Base-Backbone interact. energy: -0.167
local terms energy: -35.617190
where:
bonds (distance) C4'-P energy: -4.889
bonds (distance) P-C4' energy: -7.541
flat angles C4'-P-C4' energy: -9.953
flat angles P-C4'-P energy: -7.410
tors. eta vs tors. theta energy: -5.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -139.520321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.520321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.520321 (E_RNA)
where:
Base-Base interactions energy: -95.713
where: short stacking energy: -30.123
Base-Backbone interact. energy: -0.016
local terms energy: -43.791987
where:
bonds (distance) C4'-P energy: -8.379
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -2.327
tors. eta vs tors. theta energy: -6.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -136.232980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.232980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.232980 (E_RNA)
where:
Base-Base interactions energy: -90.141
where: short stacking energy: -31.164
Base-Backbone interact. energy: 0.476
local terms energy: -46.567986
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -11.464
flat angles C4'-P-C4' energy: -8.591
flat angles P-C4'-P energy: -7.104
tors. eta vs tors. theta energy: -7.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -108.009777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.009777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.009777 (E_RNA)
where:
Base-Base interactions energy: -62.961
where: short stacking energy: -22.000
Base-Backbone interact. energy: -0.103
local terms energy: -44.946085
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -8.674
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -6.754
tors. eta vs tors. theta energy: -6.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -75.254003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.254003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.254003 (E_RNA)
where:
Base-Base interactions energy: -31.849
where: short stacking energy: -31.849
Base-Backbone interact. energy: -0.027
local terms energy: -43.378372
where:
bonds (distance) C4'-P energy: -6.894
bonds (distance) P-C4' energy: -9.553
flat angles C4'-P-C4' energy: -9.637
flat angles P-C4'-P energy: -6.605
tors. eta vs tors. theta energy: -10.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -53.340991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.340991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.340991 (E_RNA)
where:
Base-Base interactions energy: -12.942
where: short stacking energy: -12.942
Base-Backbone interact. energy: 0.069
local terms energy: -40.468126
where:
bonds (distance) C4'-P energy: -9.819
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -9.490
flat angles P-C4'-P energy: -5.783
tors. eta vs tors. theta energy: -2.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -63.326199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.326199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.326199 (E_RNA)
where:
Base-Base interactions energy: -15.196
where: short stacking energy: -14.387
Base-Backbone interact. energy: -1.227
local terms energy: -46.903125
where:
bonds (distance) C4'-P energy: -10.959
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: -1.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -59.446478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.446478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.446478 (E_RNA)
where:
Base-Base interactions energy: -17.851
where: short stacking energy: -17.080
Base-Backbone interact. energy: 0.482
local terms energy: -42.077909
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -8.681
flat angles C4'-P-C4' energy: -11.052
flat angles P-C4'-P energy: -6.557
tors. eta vs tors. theta energy: -5.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -158.783313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.783313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.783313 (E_RNA)
where:
Base-Base interactions energy: -105.428
where: short stacking energy: -45.233
Base-Backbone interact. energy: -0.005
local terms energy: -53.350990
where:
bonds (distance) C4'-P energy: -11.729
bonds (distance) P-C4' energy: -9.862
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -6.953
tors. eta vs tors. theta energy: -11.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -149.552769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.552769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.552769 (E_RNA)
where:
Base-Base interactions energy: -90.411
where: short stacking energy: -45.888
Base-Backbone interact. energy: -0.033
local terms energy: -59.108601
where:
bonds (distance) C4'-P energy: -11.815
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -12.233
flat angles P-C4'-P energy: -8.245
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: 3, replica: 6
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -151.191183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.191183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.191183 (E_RNA)
where:
Base-Base interactions energy: -101.711
where: short stacking energy: -38.434
Base-Backbone interact. energy: -0.044
local terms energy: -49.436511
where:
bonds (distance) C4'-P energy: -12.801
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -9.649
flat angles P-C4'-P energy: -5.305
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: 4, replica: 10
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -130.071097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.071097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.071097 (E_RNA)
where:
Base-Base interactions energy: -78.028
where: short stacking energy: -31.898
Base-Backbone interact. energy: -0.090
local terms energy: -51.953414
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -9.174
flat angles C4'-P-C4' energy: -10.063
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -11.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -130.947852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.947852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.947852 (E_RNA)
where:
Base-Base interactions energy: -82.575
where: short stacking energy: -30.808
Base-Backbone interact. energy: -0.004
local terms energy: -48.369601
where:
bonds (distance) C4'-P energy: -8.214
bonds (distance) P-C4' energy: -12.460
flat angles C4'-P-C4' energy: -8.075
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -10.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -71.742703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.742703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.742703 (E_RNA)
where:
Base-Base interactions energy: -28.258
where: short stacking energy: -12.430
Base-Backbone interact. energy: -1.205
local terms energy: -42.279531
where:
bonds (distance) C4'-P energy: -9.062
bonds (distance) P-C4' energy: -14.485
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -5.482
tors. eta vs tors. theta energy: -0.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -99.642562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.642562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.642562 (E_RNA)
where:
Base-Base interactions energy: -53.322
where: short stacking energy: -18.476
Base-Backbone interact. energy: -0.116
local terms energy: -46.205091
where:
bonds (distance) C4'-P energy: -10.884
bonds (distance) P-C4' energy: -9.942
flat angles C4'-P-C4' energy: -10.129
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -7.522
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: 5
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -68.815224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.815224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.815224 (E_RNA)
where:
Base-Base interactions energy: -26.239
where: short stacking energy: -16.133
Base-Backbone interact. energy: -0.957
local terms energy: -41.619504
where:
bonds (distance) C4'-P energy: -11.762
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -9.362
flat angles P-C4'-P energy: -6.163
tors. eta vs tors. theta energy: -2.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -71.979388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.979388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.979388 (E_RNA)
where:
Base-Base interactions energy: -36.301
where: short stacking energy: -24.483
Base-Backbone interact. energy: -0.144
local terms energy: -35.534686
where:
bonds (distance) C4'-P energy: -9.406
bonds (distance) P-C4' energy: -8.146
flat angles C4'-P-C4' energy: -8.510
flat angles P-C4'-P energy: -3.187
tors. eta vs tors. theta energy: -6.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -73.487541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.487541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.487541 (E_RNA)
where:
Base-Base interactions energy: -29.474
where: short stacking energy: -17.141
Base-Backbone interact. energy: -0.070
local terms energy: -43.943326
where:
bonds (distance) C4'-P energy: -11.195
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -8.668
flat angles P-C4'-P energy: -6.201
tors. eta vs tors. theta energy: -3.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -154.673714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.673714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.673714 (E_RNA)
where:
Base-Base interactions energy: -94.805
where: short stacking energy: -34.535
Base-Backbone interact. energy: -0.640
local terms energy: -59.228580
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -14.692
flat angles C4'-P-C4' energy: -10.979
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -11.576
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: 2, replica: 4
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -140.626040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.626040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.626040 (E_RNA)
where:
Base-Base interactions energy: -90.386
where: short stacking energy: -38.562
Base-Backbone interact. energy: -0.028
local terms energy: -50.211661
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -10.467
flat angles P-C4'-P energy: -0.817
tors. eta vs tors. theta energy: -13.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -151.368104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.368104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.368104 (E_RNA)
where:
Base-Base interactions energy: -106.385
where: short stacking energy: -38.180
Base-Backbone interact. energy: -0.005
local terms energy: -44.978389
where:
bonds (distance) C4'-P energy: -7.184
bonds (distance) P-C4' energy: -11.712
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -5.290
tors. eta vs tors. theta energy: -8.123
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: 6
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -144.726016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.726016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.726016 (E_RNA)
where:
Base-Base interactions energy: -96.724
where: short stacking energy: -32.964
Base-Backbone interact. energy: -0.010
local terms energy: -47.992121
where:
bonds (distance) C4'-P energy: -10.513
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -8.460
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: -9.358
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: 9
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -127.288939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.288939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.288939 (E_RNA)
where:
Base-Base interactions energy: -88.904
where: short stacking energy: -29.990
Base-Backbone interact. energy: -0.160
local terms energy: -38.225704
where:
bonds (distance) C4'-P energy: -3.553
bonds (distance) P-C4' energy: -10.890
flat angles C4'-P-C4' energy: -8.793
flat angles P-C4'-P energy: -7.265
tors. eta vs tors. theta energy: -7.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -76.537783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.537783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.537783 (E_RNA)
where:
Base-Base interactions energy: -36.787
where: short stacking energy: -16.663
Base-Backbone interact. energy: -0.154
local terms energy: -39.596894
where:
bonds (distance) C4'-P energy: -10.428
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -8.590
flat angles P-C4'-P energy: -6.990
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: 7, replica: 5
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -72.576869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.576869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.576869 (E_RNA)
where:
Base-Base interactions energy: -42.532
where: short stacking energy: -21.500
Base-Backbone interact. energy: -0.087
local terms energy: -29.957388
where:
bonds (distance) C4'-P energy: -8.032
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -3.438
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: 3.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -126.297028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.297028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.297028 (E_RNA)
where:
Base-Base interactions energy: -83.318
where: short stacking energy: -23.855
Base-Backbone interact. energy: 0.629
local terms energy: -43.607721
where:
bonds (distance) C4'-P energy: -9.738
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -10.222
flat angles P-C4'-P energy: -3.097
tors. eta vs tors. theta energy: -5.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -60.793734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.793734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.793734 (E_RNA)
where:
Base-Base interactions energy: -22.102
where: short stacking energy: -6.495
Base-Backbone interact. energy: -0.340
local terms energy: -38.351739
where:
bonds (distance) C4'-P energy: -11.352
bonds (distance) P-C4' energy: -10.901
flat angles C4'-P-C4' energy: -9.621
flat angles P-C4'-P energy: -9.081
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: 8
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -69.508069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.508069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.508069 (E_RNA)
where:
Base-Base interactions energy: -29.366
where: short stacking energy: -8.898
Base-Backbone interact. energy: -0.054
local terms energy: -40.088315
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -8.181
flat angles P-C4'-P energy: -6.253
tors. eta vs tors. theta energy: 1.413
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: 1, replica: 1
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -143.956380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.956380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.956380 (E_RNA)
where:
Base-Base interactions energy: -92.788
where: short stacking energy: -32.008
Base-Backbone interact. energy: -0.031
local terms energy: -51.137955
where:
bonds (distance) C4'-P energy: -13.546
bonds (distance) P-C4' energy: -9.917
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -6.472
tors. eta vs tors. theta energy: -8.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -145.512986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.512986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.512986 (E_RNA)
where:
Base-Base interactions energy: -97.558
where: short stacking energy: -37.033
Base-Backbone interact. energy: -0.003
local terms energy: -47.951507
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -11.893
flat angles C4'-P-C4' energy: -6.684
flat angles P-C4'-P energy: -6.396
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: 3, replica: 4
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -151.239479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.239479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.239479 (E_RNA)
where:
Base-Base interactions energy: -89.255
where: short stacking energy: -37.796
Base-Backbone interact. energy: -0.083
local terms energy: -61.901975
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -8.477
tors. eta vs tors. theta energy: -15.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -138.282528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.282528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.282528 (E_RNA)
where:
Base-Base interactions energy: -86.243
where: short stacking energy: -39.164
Base-Backbone interact. energy: -0.031
local terms energy: -52.008452
where:
bonds (distance) C4'-P energy: -10.884
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -10.370
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: -9.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -135.341974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.341974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.341974 (E_RNA)
where:
Base-Base interactions energy: -79.170
where: short stacking energy: -33.519
Base-Backbone interact. energy: -0.002
local terms energy: -56.170496
where:
bonds (distance) C4'-P energy: -11.993
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -9.776
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -10.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -69.560432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.560432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.560432 (E_RNA)
where:
Base-Base interactions energy: -24.243
where: short stacking energy: -23.812
Base-Backbone interact. energy: 0.973
local terms energy: -46.290068
where:
bonds (distance) C4'-P energy: -8.326
bonds (distance) P-C4' energy: -11.687
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -2.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -78.765333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.765333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.765333 (E_RNA)
where:
Base-Base interactions energy: -41.684
where: short stacking energy: -14.469
Base-Backbone interact. energy: -0.844
local terms energy: -36.237388
where:
bonds (distance) C4'-P energy: -8.992
bonds (distance) P-C4' energy: -11.690
flat angles C4'-P-C4' energy: -9.672
flat angles P-C4'-P energy: -1.784
tors. eta vs tors. theta energy: -4.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -104.907693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.907693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.907693 (E_RNA)
where:
Base-Base interactions energy: -62.561
where: short stacking energy: -25.066
Base-Backbone interact. energy: -0.251
local terms energy: -42.095598
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -7.338
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -6.673
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: 9, replica: 7
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -58.319540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.319540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.319540 (E_RNA)
where:
Base-Base interactions energy: -15.264
where: short stacking energy: -15.264
Base-Backbone interact. energy: -0.046
local terms energy: -43.009243
where:
bonds (distance) C4'-P energy: -10.114
bonds (distance) P-C4' energy: -9.848
flat angles C4'-P-C4' energy: -8.543
flat angles P-C4'-P energy: -5.254
tors. eta vs tors. theta energy: -9.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -61.137342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.137342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.137342 (E_RNA)
where:
Base-Base interactions energy: -25.894
where: short stacking energy: -21.854
Base-Backbone interact. energy: -0.375
local terms energy: -34.867728
where:
bonds (distance) C4'-P energy: -8.234
bonds (distance) P-C4' energy: -8.712
flat angles C4'-P-C4' energy: -5.683
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -1.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -151.147334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.147334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.147334 (E_RNA)
where:
Base-Base interactions energy: -95.436
where: short stacking energy: -30.931
Base-Backbone interact. energy: -0.148
local terms energy: -55.563176
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -11.452
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -8.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -152.631975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.631975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.631975 (E_RNA)
where:
Base-Base interactions energy: -104.544
where: short stacking energy: -39.402
Base-Backbone interact. energy: -0.007
local terms energy: -48.081418
where:
bonds (distance) C4'-P energy: -9.924
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -11.118
flat angles P-C4'-P energy: -3.680
tors. eta vs tors. theta energy: -11.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -142.637329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.637329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.637329 (E_RNA)
where:
Base-Base interactions energy: -87.943
where: short stacking energy: -37.171
Base-Backbone interact. energy: -0.057
local terms energy: -54.637008
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -10.609
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: -11.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -138.358513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.358513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.358513 (E_RNA)
where:
Base-Base interactions energy: -84.208
where: short stacking energy: -39.897
Base-Backbone interact. energy: -0.080
local terms energy: -54.070452
where:
bonds (distance) C4'-P energy: -10.723
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -10.192
flat angles P-C4'-P energy: -4.978
tors. eta vs tors. theta energy: -14.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -132.290033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.290033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.290033 (E_RNA)
where:
Base-Base interactions energy: -80.524
where: short stacking energy: -36.465
Base-Backbone interact. energy: -0.066
local terms energy: -51.700280
where:
bonds (distance) C4'-P energy: -11.335
bonds (distance) P-C4' energy: -10.644
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -4.926
tors. eta vs tors. theta energy: -12.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -73.623243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.623243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.623243 (E_RNA)
where:
Base-Base interactions energy: -27.957
where: short stacking energy: -15.985
Base-Backbone interact. energy: 0.196
local terms energy: -45.862076
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -10.103
flat angles C4'-P-C4' energy: -11.006
flat angles P-C4'-P energy: -8.384
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: 7, replica: 3
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -77.498692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.498692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.498692 (E_RNA)
where:
Base-Base interactions energy: -37.641
where: short stacking energy: -19.716
Base-Backbone interact. energy: -0.781
local terms energy: -39.075905
where:
bonds (distance) C4'-P energy: -8.329
bonds (distance) P-C4' energy: -10.302
flat angles C4'-P-C4' energy: -10.011
flat angles P-C4'-P energy: -4.615
tors. eta vs tors. theta energy: -5.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -80.347834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.347834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.347834 (E_RNA)
where:
Base-Base interactions energy: -40.231
where: short stacking energy: -15.729
Base-Backbone interact. energy: -0.056
local terms energy: -40.061137
where:
bonds (distance) C4'-P energy: -13.161
bonds (distance) P-C4' energy: -6.573
flat angles C4'-P-C4' energy: -11.373
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -0.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -66.485914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.485914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.485914 (E_RNA)
where:
Base-Base interactions energy: -32.314
where: short stacking energy: -10.529
Base-Backbone interact. energy: -0.398
local terms energy: -33.773583
where:
bonds (distance) C4'-P energy: -12.391
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -1.480
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: 1.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -75.756771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.756771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.756771 (E_RNA)
where:
Base-Base interactions energy: -35.600
where: short stacking energy: -11.985
Base-Backbone interact. energy: -0.131
local terms energy: -40.026039
where:
bonds (distance) C4'-P energy: -12.151
bonds (distance) P-C4' energy: -11.287
flat angles C4'-P-C4' energy: -10.860
flat angles P-C4'-P energy: -3.000
tors. eta vs tors. theta energy: -2.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -147.789551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.789551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.789551 (E_RNA)
where:
Base-Base interactions energy: -90.994
where: short stacking energy: -43.028
Base-Backbone interact. energy: -0.080
local terms energy: -56.716240
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -7.216
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -6.211
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: 2, replica: 4
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -140.365210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.365210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.365210 (E_RNA)
where:
Base-Base interactions energy: -84.482
where: short stacking energy: -36.120
Base-Backbone interact. energy: -0.687
local terms energy: -55.195712
where:
bonds (distance) C4'-P energy: -10.296
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -11.004
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -11.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -147.382185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.382185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.382185 (E_RNA)
where:
Base-Base interactions energy: -104.022
where: short stacking energy: -35.906
Base-Backbone interact. energy: 0.877
local terms energy: -44.237426
where:
bonds (distance) C4'-P energy: -7.299
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -10.675
flat angles P-C4'-P energy: -6.018
tors. eta vs tors. theta energy: -7.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -150.652525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.652525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.652525 (E_RNA)
where:
Base-Base interactions energy: -97.686
where: short stacking energy: -35.705
Base-Backbone interact. energy: -0.259
local terms energy: -52.707061
where:
bonds (distance) C4'-P energy: -9.180
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -10.776
flat angles P-C4'-P energy: -7.122
tors. eta vs tors. theta energy: -12.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -125.168780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.168780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.168780 (E_RNA)
where:
Base-Base interactions energy: -80.810
where: short stacking energy: -27.455
Base-Backbone interact. energy: 0.326
local terms energy: -44.685104
where:
bonds (distance) C4'-P energy: -8.155
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -9.339
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -5.998
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: 5
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -70.347459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.347459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.347459 (E_RNA)
where:
Base-Base interactions energy: -26.020
where: short stacking energy: -24.898
Base-Backbone interact. energy: -0.004
local terms energy: -44.323537
where:
bonds (distance) C4'-P energy: -7.137
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -4.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -62.265164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.265164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.265164 (E_RNA)
where:
Base-Base interactions energy: -23.311
where: short stacking energy: -9.464
Base-Backbone interact. energy: -0.284
local terms energy: -38.670272
where:
bonds (distance) C4'-P energy: -11.973
bonds (distance) P-C4' energy: -10.078
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -5.620
tors. eta vs tors. theta energy: 1.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -67.332698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.332698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.332698 (E_RNA)
where:
Base-Base interactions energy: -23.902
where: short stacking energy: -13.699
Base-Backbone interact. energy: -0.687
local terms energy: -42.744599
where:
bonds (distance) C4'-P energy: -6.388
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -10.959
flat angles P-C4'-P energy: -6.652
tors. eta vs tors. theta energy: -5.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -56.447630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.447630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.447630 (E_RNA)
where:
Base-Base interactions energy: -24.649
where: short stacking energy: -12.472
Base-Backbone interact. energy: 2.335
local terms energy: -34.133650
where:
bonds (distance) C4'-P energy: -11.372
bonds (distance) P-C4' energy: -7.467
flat angles C4'-P-C4' energy: -10.544
flat angles P-C4'-P energy: -1.093
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: 10, replica: 7
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -63.287294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.287294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.287294 (E_RNA)
where:
Base-Base interactions energy: -16.984
where: short stacking energy: -11.012
Base-Backbone interact. energy: -0.152
local terms energy: -46.151159
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -10.360
flat angles P-C4'-P energy: -4.857
tors. eta vs tors. theta energy: -4.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -152.594428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.594428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.594428 (E_RNA)
where:
Base-Base interactions energy: -97.381
where: short stacking energy: -44.274
Base-Backbone interact. energy: 0.663
local terms energy: -55.876460
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -10.763
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: -12.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -143.988923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.988923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.988923 (E_RNA)
where:
Base-Base interactions energy: -93.888
where: short stacking energy: -40.947
Base-Backbone interact. energy: -0.124
local terms energy: -49.976654
where:
bonds (distance) C4'-P energy: -10.607
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -11.283
flat angles P-C4'-P energy: -4.733
tors. eta vs tors. theta energy: -11.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -139.876680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.876680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.876680 (E_RNA)
where:
Base-Base interactions energy: -96.285
where: short stacking energy: -34.025
Base-Backbone interact. energy: -1.298
local terms energy: -42.293887
where:
bonds (distance) C4'-P energy: -6.276
bonds (distance) P-C4' energy: -11.369
flat angles C4'-P-C4' energy: -7.954
flat angles P-C4'-P energy: -4.936
tors. eta vs tors. theta energy: -11.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -139.153250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.153250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.153250 (E_RNA)
where:
Base-Base interactions energy: -91.337
where: short stacking energy: -36.496
Base-Backbone interact. energy: -0.305
local terms energy: -47.510850
where:
bonds (distance) C4'-P energy: -10.537
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -9.768
flat angles P-C4'-P energy: -4.535
tors. eta vs tors. theta energy: -9.997
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: 9
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -119.755743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.755743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.755743 (E_RNA)
where:
Base-Base interactions energy: -81.769
where: short stacking energy: -33.783
Base-Backbone interact. energy: -0.010
local terms energy: -37.976899
where:
bonds (distance) C4'-P energy: -12.652
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -3.588
flat angles P-C4'-P energy: -3.003
tors. eta vs tors. theta energy: -6.054
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: 5
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -61.345289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.345289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.345289 (E_RNA)
where:
Base-Base interactions energy: -21.164
where: short stacking energy: -13.268
Base-Backbone interact. energy: -0.009
local terms energy: -40.171971
where:
bonds (distance) C4'-P energy: -11.210
bonds (distance) P-C4' energy: -8.259
flat angles C4'-P-C4' energy: -11.408
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -2.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -62.485296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.485296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.485296 (E_RNA)
where:
Base-Base interactions energy: -24.102
where: short stacking energy: -17.622
Base-Backbone interact. energy: 1.032
local terms energy: -39.414761
where:
bonds (distance) C4'-P energy: -7.601
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -9.295
flat angles P-C4'-P energy: -4.653
tors. eta vs tors. theta energy: -4.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -65.119277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.119277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.119277 (E_RNA)
where:
Base-Base interactions energy: -30.227
where: short stacking energy: -22.034
Base-Backbone interact. energy: -0.121
local terms energy: -34.772101
where:
bonds (distance) C4'-P energy: -9.149
bonds (distance) P-C4' energy: -10.623
flat angles C4'-P-C4' energy: -11.053
flat angles P-C4'-P energy: -1.891
tors. eta vs tors. theta energy: -2.056
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: 9, replica: 7
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -66.501373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.501373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.501373 (E_RNA)
where:
Base-Base interactions energy: -33.414
where: short stacking energy: -13.754
Base-Backbone interact. energy: -0.098
local terms energy: -32.989524
where:
bonds (distance) C4'-P energy: -7.263
bonds (distance) P-C4' energy: -8.334
flat angles C4'-P-C4' energy: -7.365
flat angles P-C4'-P energy: -5.851
tors. eta vs tors. theta energy: -4.176
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: 2
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -53.887060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.887060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.887060 (E_RNA)
where:
Base-Base interactions energy: -24.062
where: short stacking energy: -12.599
Base-Backbone interact. energy: -0.363
local terms energy: -29.461964
where:
bonds (distance) C4'-P energy: -9.117
bonds (distance) P-C4' energy: -8.013
flat angles C4'-P-C4' energy: -7.576
flat angles P-C4'-P energy: -3.745
tors. eta vs tors. theta energy: -1.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -160.689039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.689039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.689039 (E_RNA)
where:
Base-Base interactions energy: -114.175
where: short stacking energy: -32.690
Base-Backbone interact. energy: -0.015
local terms energy: -46.499185
where:
bonds (distance) C4'-P energy: -11.009
bonds (distance) P-C4' energy: -11.384
flat angles C4'-P-C4' energy: -9.442
flat angles P-C4'-P energy: -3.724
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: 2, replica: 6
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -140.204691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.204691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.204691 (E_RNA)
where:
Base-Base interactions energy: -93.554
where: short stacking energy: -35.573
Base-Backbone interact. energy: -0.051
local terms energy: -46.600168
where:
bonds (distance) C4'-P energy: -9.552
bonds (distance) P-C4' energy: -10.650
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -3.947
tors. eta vs tors. theta energy: -9.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -129.299744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.299744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.299744 (E_RNA)
where:
Base-Base interactions energy: -82.107
where: short stacking energy: -26.388
Base-Backbone interact. energy: -0.060
local terms energy: -47.132773
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -10.203
flat angles C4'-P-C4' energy: -11.558
flat angles P-C4'-P energy: -6.725
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: 4, replica: 9
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -144.429489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.429489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.429489 (E_RNA)
where:
Base-Base interactions energy: -94.043
where: short stacking energy: -34.769
Base-Backbone interact. energy: -1.128
local terms energy: -49.258582
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -10.118
flat angles C4'-P-C4' energy: -7.314
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -11.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -139.357013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.357013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.357013 (E_RNA)
where:
Base-Base interactions energy: -89.270
where: short stacking energy: -41.672
Base-Backbone interact. energy: -0.144
local terms energy: -49.942806
where:
bonds (distance) C4'-P energy: -8.119
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -8.118
flat angles P-C4'-P energy: -5.176
tors. eta vs tors. theta energy: -13.827
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: 8
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -114.815823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.815823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.815823 (E_RNA)
where:
Base-Base interactions energy: -73.239
where: short stacking energy: -29.773
Base-Backbone interact. energy: 3.344
local terms energy: -44.920089
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -10.075
flat angles P-C4'-P energy: -5.057
tors. eta vs tors. theta energy: -5.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -71.791890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.791890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.791890 (E_RNA)
where:
Base-Base interactions energy: -29.065
where: short stacking energy: -17.872
Base-Backbone interact. energy: -0.856
local terms energy: -41.869955
where:
bonds (distance) C4'-P energy: -10.355
bonds (distance) P-C4' energy: -10.166
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: -0.795
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: 3
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -63.889547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.889547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.889547 (E_RNA)
where:
Base-Base interactions energy: -27.245
where: short stacking energy: -23.589
Base-Backbone interact. energy: 0.481
local terms energy: -37.125362
where:
bonds (distance) C4'-P energy: -7.402
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -8.759
flat angles P-C4'-P energy: -2.298
tors. eta vs tors. theta energy: -6.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -62.155819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.155819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.155819 (E_RNA)
where:
Base-Base interactions energy: -26.076
where: short stacking energy: -9.378
Base-Backbone interact. energy: -1.787
local terms energy: -34.292561
where:
bonds (distance) C4'-P energy: -7.474
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -10.484
flat angles P-C4'-P energy: -5.264
tors. eta vs tors. theta energy: 2.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -60.678822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.678822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.678822 (E_RNA)
where:
Base-Base interactions energy: -22.871
where: short stacking energy: -19.393
Base-Backbone interact. energy: -0.005
local terms energy: -37.802592
where:
bonds (distance) C4'-P energy: -4.753
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -11.069
flat angles P-C4'-P energy: -7.766
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: 10
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -152.413694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.413694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.413694 (E_RNA)
where:
Base-Base interactions energy: -102.997
where: short stacking energy: -35.892
Base-Backbone interact. energy: -0.020
local terms energy: -49.396059
where:
bonds (distance) C4'-P energy: -11.157
bonds (distance) P-C4' energy: -10.600
flat angles C4'-P-C4' energy: -9.887
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -9.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -142.302936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.302936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.302936 (E_RNA)
where:
Base-Base interactions energy: -87.910
where: short stacking energy: -32.330
Base-Backbone interact. energy: -0.003
local terms energy: -54.389758
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -11.703
flat angles P-C4'-P energy: -5.824
tors. eta vs tors. theta energy: -10.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -145.259223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.259223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.259223 (E_RNA)
where:
Base-Base interactions energy: -94.846
where: short stacking energy: -40.171
Base-Backbone interact. energy: -0.870
local terms energy: -49.542982
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -9.591
flat angles C4'-P-C4' energy: -9.794
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -8.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -134.389750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.389750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.389750 (E_RNA)
where:
Base-Base interactions energy: -85.067
where: short stacking energy: -31.014
Base-Backbone interact. energy: -0.015
local terms energy: -49.307367
where:
bonds (distance) C4'-P energy: -11.210
bonds (distance) P-C4' energy: -11.035
flat angles C4'-P-C4' energy: -6.981
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -9.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -138.651704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.651704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.651704 (E_RNA)
where:
Base-Base interactions energy: -88.678
where: short stacking energy: -28.220
Base-Backbone interact. energy: -0.106
local terms energy: -49.866762
where:
bonds (distance) C4'-P energy: -10.632
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -11.860
flat angles P-C4'-P energy: -5.692
tors. eta vs tors. theta energy: -7.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -111.022106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.022106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.022106 (E_RNA)
where:
Base-Base interactions energy: -68.313
where: short stacking energy: -31.489
Base-Backbone interact. energy: -1.146
local terms energy: -41.562702
where:
bonds (distance) C4'-P energy: -7.870
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -9.821
flat angles P-C4'-P energy: -7.017
tors. eta vs tors. theta energy: -4.851
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: 3
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -71.749338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.749338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.749338 (E_RNA)
where:
Base-Base interactions energy: -25.743
where: short stacking energy: -19.449
Base-Backbone interact. energy: -0.941
local terms energy: -45.065197
where:
bonds (distance) C4'-P energy: -11.236
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -11.058
flat angles P-C4'-P energy: -6.377
tors. eta vs tors. theta energy: -1.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -70.032418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.032418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.032418 (E_RNA)
where:
Base-Base interactions energy: -30.112
where: short stacking energy: -19.845
Base-Backbone interact. energy: -0.133
local terms energy: -39.787868
where:
bonds (distance) C4'-P energy: -10.975
bonds (distance) P-C4' energy: -12.743
flat angles C4'-P-C4' energy: -8.053
flat angles P-C4'-P energy: -5.896
tors. eta vs tors. theta energy: -2.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -55.149743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.149743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.149743 (E_RNA)
where:
Base-Base interactions energy: -25.076
where: short stacking energy: -13.624
Base-Backbone interact. energy: -0.191
local terms energy: -29.882136
where:
bonds (distance) C4'-P energy: -10.455
bonds (distance) P-C4' energy: -4.246
flat angles C4'-P-C4' energy: -7.054
flat angles P-C4'-P energy: -6.071
tors. eta vs tors. theta energy: -2.056
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: 210
Temperature: 1.350000
Total energy: -62.840131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.840131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.840131 (E_RNA)
where:
Base-Base interactions energy: -26.494
where: short stacking energy: -14.049
Base-Backbone interact. energy: -0.090
local terms energy: -36.256145
where:
bonds (distance) C4'-P energy: -11.468
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -8.529
flat angles P-C4'-P energy: -5.138
tors. eta vs tors. theta energy: 0.876
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: 1, replica: 10
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -149.829902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.829902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.829902 (E_RNA)
where:
Base-Base interactions energy: -92.354
where: short stacking energy: -38.442
Base-Backbone interact. energy: -0.099
local terms energy: -57.376309
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -8.592
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -14.260
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: 4
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -158.666127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.666127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.666127 (E_RNA)
where:
Base-Base interactions energy: -104.247
where: short stacking energy: -36.246
Base-Backbone interact. energy: -0.175
local terms energy: -54.244397
where:
bonds (distance) C4'-P energy: -10.767
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -6.480
tors. eta vs tors. theta energy: -12.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -132.516027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.516027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.516027 (E_RNA)
where:
Base-Base interactions energy: -75.079
where: short stacking energy: -34.209
Base-Backbone interact. energy: -1.054
local terms energy: -56.383077
where:
bonds (distance) C4'-P energy: -11.881
bonds (distance) P-C4' energy: -11.665
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -7.791
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: 4, replica: 1
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -139.017032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.017032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.017032 (E_RNA)
where:
Base-Base interactions energy: -88.190
where: short stacking energy: -28.868
Base-Backbone interact. energy: -0.015
local terms energy: -50.812034
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -10.742
flat angles P-C4'-P energy: -3.338
tors. eta vs tors. theta energy: -11.193
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: 5, replica: 9
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -128.750719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.750719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.750719 (E_RNA)
where:
Base-Base interactions energy: -77.777
where: short stacking energy: -27.006
Base-Backbone interact. energy: -0.039
local terms energy: -50.934671
where:
bonds (distance) C4'-P energy: -8.139
bonds (distance) P-C4' energy: -11.094
flat angles C4'-P-C4' energy: -12.427
flat angles P-C4'-P energy: -8.408
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: 6, replica: 3
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -68.967514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.967514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.967514 (E_RNA)
where:
Base-Base interactions energy: -22.461
where: short stacking energy: -22.461
Base-Backbone interact. energy: -0.403
local terms energy: -46.103352
where:
bonds (distance) C4'-P energy: -11.803
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -10.904
flat angles P-C4'-P energy: -3.662
tors. eta vs tors. theta energy: -6.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -69.373682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.373682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.373682 (E_RNA)
where:
Base-Base interactions energy: -33.881
where: short stacking energy: -10.550
Base-Backbone interact. energy: -0.090
local terms energy: -35.402712
where:
bonds (distance) C4'-P energy: -8.113
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -4.562
flat angles P-C4'-P energy: -6.841
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: 8, replica: 2
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -63.759985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.759985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.759985 (E_RNA)
where:
Base-Base interactions energy: -31.218
where: short stacking energy: -18.808
Base-Backbone interact. energy: 0.405
local terms energy: -32.947742
where:
bonds (distance) C4'-P energy: -10.437
bonds (distance) P-C4' energy: -10.866
flat angles C4'-P-C4' energy: -6.847
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: 4.176
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: 5
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -58.166354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.166354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.166354 (E_RNA)
where:
Base-Base interactions energy: -19.501
where: short stacking energy: -7.454
Base-Backbone interact. energy: -0.092
local terms energy: -38.573239
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -11.375
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -5.834
tors. eta vs tors. theta energy: 2.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -59.575019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.575019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.575019 (E_RNA)
where:
Base-Base interactions energy: -23.302
where: short stacking energy: -22.046
Base-Backbone interact. energy: 2.873
local terms energy: -39.146508
where:
bonds (distance) C4'-P energy: -5.842
bonds (distance) P-C4' energy: -10.347
flat angles C4'-P-C4' energy: -9.604
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -4.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -153.559027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.559027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.559027 (E_RNA)
where:
Base-Base interactions energy: -96.994
where: short stacking energy: -38.525
Base-Backbone interact. energy: -0.023
local terms energy: -56.541707
where:
bonds (distance) C4'-P energy: -12.233
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -10.119
flat angles P-C4'-P energy: -5.006
tors. eta vs tors. theta energy: -16.141
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: 10
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -143.798832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.798832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.798832 (E_RNA)
where:
Base-Base interactions energy: -95.433
where: short stacking energy: -34.905
Base-Backbone interact. energy: -0.018
local terms energy: -48.347988
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -10.228
flat angles C4'-P-C4' energy: -10.025
flat angles P-C4'-P energy: -8.680
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: 3, replica: 1
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -138.270093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.270093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.270093 (E_RNA)
where:
Base-Base interactions energy: -94.987
where: short stacking energy: -41.979
Base-Backbone interact. energy: 1.581
local terms energy: -44.864104
where:
bonds (distance) C4'-P energy: -8.056
bonds (distance) P-C4' energy: -7.203
flat angles C4'-P-C4' energy: -11.276
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -10.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -147.610664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.610664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.610664 (E_RNA)
where:
Base-Base interactions energy: -101.288
where: short stacking energy: -33.983
Base-Backbone interact. energy: -0.514
local terms energy: -45.808304
where:
bonds (distance) C4'-P energy: -9.198
bonds (distance) P-C4' energy: -11.827
flat angles C4'-P-C4' energy: -11.860
flat angles P-C4'-P energy: -6.139
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: 5, replica: 9
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -125.042895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.042895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.042895 (E_RNA)
where:
Base-Base interactions energy: -71.016
where: short stacking energy: -30.603
Base-Backbone interact. energy: -0.496
local terms energy: -53.530375
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -10.684
flat angles C4'-P-C4' energy: -9.734
flat angles P-C4'-P energy: -10.391
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: 6, replica: 3
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -88.560892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.560892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.560892 (E_RNA)
where:
Base-Base interactions energy: -40.588
where: short stacking energy: -11.770
Base-Backbone interact. energy: -0.011
local terms energy: -47.961749
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -11.696
flat angles P-C4'-P energy: -5.925
tors. eta vs tors. theta energy: -3.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -64.787521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.787521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.787521 (E_RNA)
where:
Base-Base interactions energy: -26.062
where: short stacking energy: -8.939
Base-Backbone interact. energy: -0.045
local terms energy: -38.680324
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -3.444
flat angles P-C4'-P energy: -8.258
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: 8, replica: 8
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -59.831669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.831669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.831669 (E_RNA)
where:
Base-Base interactions energy: -25.069
where: short stacking energy: -17.834
Base-Backbone interact. energy: -0.223
local terms energy: -34.539677
where:
bonds (distance) C4'-P energy: -9.552
bonds (distance) P-C4' energy: -9.992
flat angles C4'-P-C4' energy: -6.789
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: -0.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -66.397798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.397798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.397798 (E_RNA)
where:
Base-Base interactions energy: -27.257
where: short stacking energy: -9.443
Base-Backbone interact. energy: -0.162
local terms energy: -38.979015
where:
bonds (distance) C4'-P energy: -9.762
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -6.614
tors. eta vs tors. theta energy: 3.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -56.732669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.732669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.732669 (E_RNA)
where:
Base-Base interactions energy: -16.520
where: short stacking energy: -16.520
Base-Backbone interact. energy: -0.075
local terms energy: -40.137058
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -7.859
flat angles C4'-P-C4' energy: -9.352
flat angles P-C4'-P energy: -4.658
tors. eta vs tors. theta energy: -5.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -160.666569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.666569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.666569 (E_RNA)
where:
Base-Base interactions energy: -108.702
where: short stacking energy: -38.403
Base-Backbone interact. energy: -0.076
local terms energy: -51.887959
where:
bonds (distance) C4'-P energy: -10.457
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -11.503
flat angles P-C4'-P energy: -5.690
tors. eta vs tors. theta energy: -12.731
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: 1
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -150.541560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.541560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.541560 (E_RNA)
where:
Base-Base interactions energy: -97.757
where: short stacking energy: -31.179
Base-Backbone interact. energy: -0.071
local terms energy: -52.713266
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -9.754
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -10.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -152.479114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.479114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.479114 (E_RNA)
where:
Base-Base interactions energy: -102.492
where: short stacking energy: -37.041
Base-Backbone interact. energy: -0.044
local terms energy: -49.943134
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -10.437
flat angles P-C4'-P energy: -8.468
tors. eta vs tors. theta energy: -8.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -144.815570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.815570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.815570 (E_RNA)
where:
Base-Base interactions energy: -98.995
where: short stacking energy: -37.480
Base-Backbone interact. energy: 0.210
local terms energy: -46.030393
where:
bonds (distance) C4'-P energy: -8.284
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -11.699
flat angles P-C4'-P energy: -5.291
tors. eta vs tors. theta energy: -7.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -137.643314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.643314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.643314 (E_RNA)
where:
Base-Base interactions energy: -91.308
where: short stacking energy: -34.528
Base-Backbone interact. energy: -0.071
local terms energy: -46.264178
where:
bonds (distance) C4'-P energy: -7.523
bonds (distance) P-C4' energy: -12.531
flat angles C4'-P-C4' energy: -10.489
flat angles P-C4'-P energy: -4.840
tors. eta vs tors. theta energy: -10.882
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: 6, replica: 2
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -68.080618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.080618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.080618 (E_RNA)
where:
Base-Base interactions energy: -22.271
where: short stacking energy: -22.271
Base-Backbone interact. energy: -0.012
local terms energy: -45.797639
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -11.881
flat angles C4'-P-C4' energy: -2.988
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -9.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -96.718748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.718748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.718748 (E_RNA)
where:
Base-Base interactions energy: -49.861
where: short stacking energy: -22.941
Base-Backbone interact. energy: 0.251
local terms energy: -47.108976
where:
bonds (distance) C4'-P energy: -12.217
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -7.423
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -5.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -59.374876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.374876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.374876 (E_RNA)
where:
Base-Base interactions energy: -21.482
where: short stacking energy: -15.089
Base-Backbone interact. energy: -0.150
local terms energy: -37.742482
where:
bonds (distance) C4'-P energy: -10.587
bonds (distance) P-C4' energy: -11.377
flat angles C4'-P-C4' energy: -5.952
flat angles P-C4'-P energy: -3.950
tors. eta vs tors. theta energy: -5.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -60.527533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.527533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.527533 (E_RNA)
where:
Base-Base interactions energy: -18.902
where: short stacking energy: -18.902
Base-Backbone interact. energy: -0.098
local terms energy: -41.527205
where:
bonds (distance) C4'-P energy: -8.164
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -9.686
flat angles P-C4'-P energy: -7.007
tors. eta vs tors. theta energy: -2.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -62.776737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.776737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.776737 (E_RNA)
where:
Base-Base interactions energy: -25.940
where: short stacking energy: -15.407
Base-Backbone interact. energy: -0.156
local terms energy: -36.680998
where:
bonds (distance) C4'-P energy: -8.310
bonds (distance) P-C4' energy: -11.610
flat angles C4'-P-C4' energy: -7.672
flat angles P-C4'-P energy: -4.993
tors. eta vs tors. theta energy: -4.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -144.884469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.884469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.884469 (E_RNA)
where:
Base-Base interactions energy: -87.223
where: short stacking energy: -44.199
Base-Backbone interact. energy: -0.001
local terms energy: -57.659907
where:
bonds (distance) C4'-P energy: -11.774
bonds (distance) P-C4' energy: -10.439
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -13.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -165.167004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.167004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.167004 (E_RNA)
where:
Base-Base interactions energy: -104.679
where: short stacking energy: -33.290
Base-Backbone interact. energy: -0.832
local terms energy: -59.655836
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -7.210
tors. eta vs tors. theta energy: -13.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -153.937009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.937009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.937009 (E_RNA)
where:
Base-Base interactions energy: -103.146
where: short stacking energy: -43.216
Base-Backbone interact. energy: -0.077
local terms energy: -50.713336
where:
bonds (distance) C4'-P energy: -10.217
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -6.960
tors. eta vs tors. theta energy: -9.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -141.464552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.464552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.464552 (E_RNA)
where:
Base-Base interactions energy: -93.810
where: short stacking energy: -39.494
Base-Backbone interact. energy: 0.746
local terms energy: -48.399706
where:
bonds (distance) C4'-P energy: -11.650
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -10.773
flat angles P-C4'-P energy: -5.751
tors. eta vs tors. theta energy: -7.415
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: 6
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -135.050909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.050909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.050909 (E_RNA)
where:
Base-Base interactions energy: -83.996
where: short stacking energy: -31.825
Base-Backbone interact. energy: -0.659
local terms energy: -50.395591
where:
bonds (distance) C4'-P energy: -9.935
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -12.587
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -7.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -71.979197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.979197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.979197 (E_RNA)
where:
Base-Base interactions energy: -31.776
where: short stacking energy: -13.079
Base-Backbone interact. energy: -0.141
local terms energy: -40.061993
where:
bonds (distance) C4'-P energy: -9.923
bonds (distance) P-C4' energy: -10.218
flat angles C4'-P-C4' energy: -8.427
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -0.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -78.591579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.591579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.591579 (E_RNA)
where:
Base-Base interactions energy: -38.649
where: short stacking energy: -26.851
Base-Backbone interact. energy: -0.165
local terms energy: -39.777844
where:
bonds (distance) C4'-P energy: -6.922
bonds (distance) P-C4' energy: -10.017
flat angles C4'-P-C4' energy: -9.329
flat angles P-C4'-P energy: -8.561
tors. eta vs tors. theta energy: -4.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -63.241359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.241359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.241359 (E_RNA)
where:
Base-Base interactions energy: -19.954
where: short stacking energy: -14.682
Base-Backbone interact. energy: -1.019
local terms energy: -42.267907
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -11.021
flat angles P-C4'-P energy: -6.110
tors. eta vs tors. theta energy: -0.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -58.219920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.219920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.219920 (E_RNA)
where:
Base-Base interactions energy: -15.125
where: short stacking energy: -15.125
Base-Backbone interact. energy: -0.329
local terms energy: -42.766444
where:
bonds (distance) C4'-P energy: -11.129
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -4.556
tors. eta vs tors. theta energy: -0.524
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: 10, replica: 8
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -53.300561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.300561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.300561 (E_RNA)
where:
Base-Base interactions energy: -17.845
where: short stacking energy: -17.845
Base-Backbone interact. energy: -0.038
local terms energy: -35.416878
where:
bonds (distance) C4'-P energy: -8.293
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -9.923
flat angles P-C4'-P energy: -1.363
tors. eta vs tors. theta energy: -3.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -154.309633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.309633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.309633 (E_RNA)
where:
Base-Base interactions energy: -98.496
where: short stacking energy: -41.351
Base-Backbone interact. energy: -0.102
local terms energy: -55.711456
where:
bonds (distance) C4'-P energy: -11.596
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -10.529
flat angles P-C4'-P energy: -6.050
tors. eta vs tors. theta energy: -15.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -156.246504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.246504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.246504 (E_RNA)
where:
Base-Base interactions energy: -105.986
where: short stacking energy: -42.307
Base-Backbone interact. energy: -0.716
local terms energy: -49.544212
where:
bonds (distance) C4'-P energy: -10.064
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -11.635
flat angles P-C4'-P energy: -6.317
tors. eta vs tors. theta energy: -10.088
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: 4
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -149.222362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.222362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.222362 (E_RNA)
where:
Base-Base interactions energy: -99.141
where: short stacking energy: -39.257
Base-Backbone interact. energy: 0.052
local terms energy: -50.133087
where:
bonds (distance) C4'-P energy: -9.390
bonds (distance) P-C4' energy: -10.858
flat angles C4'-P-C4' energy: -11.386
flat angles P-C4'-P energy: -5.542
tors. eta vs tors. theta energy: -12.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -134.958509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.958509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.958509 (E_RNA)
where:
Base-Base interactions energy: -90.882
where: short stacking energy: -33.763
Base-Backbone interact. energy: 1.367
local terms energy: -45.443280
where:
bonds (distance) C4'-P energy: -9.578
bonds (distance) P-C4' energy: -9.802
flat angles C4'-P-C4' energy: -9.309
flat angles P-C4'-P energy: -6.780
tors. eta vs tors. theta energy: -9.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -133.444146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.444146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.444146 (E_RNA)
where:
Base-Base interactions energy: -84.198
where: short stacking energy: -33.969
Base-Backbone interact. energy: -0.017
local terms energy: -49.229437
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -11.866
flat angles C4'-P-C4' energy: -7.453
flat angles P-C4'-P energy: -6.286
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: 6, replica: 3
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -83.990302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.990302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.990302 (E_RNA)
where:
Base-Base interactions energy: -38.924
where: short stacking energy: -12.802
Base-Backbone interact. energy: 0.917
local terms energy: -45.984009
where:
bonds (distance) C4'-P energy: -13.575
bonds (distance) P-C4' energy: -11.076
flat angles C4'-P-C4' energy: -11.105
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: -2.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -75.439846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.439846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.439846 (E_RNA)
where:
Base-Base interactions energy: -33.735
where: short stacking energy: -19.236
Base-Backbone interact. energy: -0.051
local terms energy: -41.653136
where:
bonds (distance) C4'-P energy: -10.109
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -10.111
flat angles P-C4'-P energy: -7.487
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: 8, replica: 5
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -71.954137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.954137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.954137 (E_RNA)
where:
Base-Base interactions energy: -32.546
where: short stacking energy: -23.479
Base-Backbone interact. energy: -0.169
local terms energy: -39.239628
where:
bonds (distance) C4'-P energy: -9.447
bonds (distance) P-C4' energy: -11.537
flat angles C4'-P-C4' energy: -6.619
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: -3.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -65.886673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.886673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.886673 (E_RNA)
where:
Base-Base interactions energy: -22.813
where: short stacking energy: -21.826
Base-Backbone interact. energy: -0.014
local terms energy: -43.059500
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -12.421
flat angles C4'-P-C4' energy: -7.936
flat angles P-C4'-P energy: -5.828
tors. eta vs tors. theta energy: -4.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -59.482671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.482671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.482671 (E_RNA)
where:
Base-Base interactions energy: -19.650
where: short stacking energy: -18.109
Base-Backbone interact. energy: -0.158
local terms energy: -39.674653
where:
bonds (distance) C4'-P energy: -8.408
bonds (distance) P-C4' energy: -11.275
flat angles C4'-P-C4' energy: -12.125
flat angles P-C4'-P energy: -4.970
tors. eta vs tors. theta energy: -2.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -148.753944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.753944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.753944 (E_RNA)
where:
Base-Base interactions energy: -93.386
where: short stacking energy: -43.832
Base-Backbone interact. energy: -0.003
local terms energy: -55.365270
where:
bonds (distance) C4'-P energy: -10.668
bonds (distance) P-C4' energy: -12.154
flat angles C4'-P-C4' energy: -10.793
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -13.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -147.375500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.375500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.375500 (E_RNA)
where:
Base-Base interactions energy: -93.163
where: short stacking energy: -25.894
Base-Backbone interact. energy: -0.215
local terms energy: -53.997147
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -12.653
flat angles C4'-P-C4' energy: -11.220
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -7.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -152.464124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.464124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.464124 (E_RNA)
where:
Base-Base interactions energy: -105.285
where: short stacking energy: -40.107
Base-Backbone interact. energy: 0.079
local terms energy: -47.258370
where:
bonds (distance) C4'-P energy: -9.943
bonds (distance) P-C4' energy: -11.264
flat angles C4'-P-C4' energy: -10.477
flat angles P-C4'-P energy: -5.188
tors. eta vs tors. theta energy: -10.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -132.032828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.032828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.032828 (E_RNA)
where:
Base-Base interactions energy: -77.621
where: short stacking energy: -36.315
Base-Backbone interact. energy: -0.090
local terms energy: -54.321693
where:
bonds (distance) C4'-P energy: -8.868
bonds (distance) P-C4' energy: -12.457
flat angles C4'-P-C4' energy: -12.055
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -12.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -135.711844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.711844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.711844 (E_RNA)
where:
Base-Base interactions energy: -79.109
where: short stacking energy: -35.253
Base-Backbone interact. energy: -0.008
local terms energy: -56.594543
where:
bonds (distance) C4'-P energy: -10.614
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -11.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -80.897106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.897106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.897106 (E_RNA)
where:
Base-Base interactions energy: -50.168
where: short stacking energy: -9.979
Base-Backbone interact. energy: 0.787
local terms energy: -31.516240
where:
bonds (distance) C4'-P energy: -11.666
bonds (distance) P-C4' energy: -6.744
flat angles C4'-P-C4' energy: -10.583
flat angles P-C4'-P energy: -5.798
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: 7, replica: 5
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -74.059633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.059633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.059633 (E_RNA)
where:
Base-Base interactions energy: -39.170
where: short stacking energy: -21.324
Base-Backbone interact. energy: 0.131
local terms energy: -35.020220
where:
bonds (distance) C4'-P energy: -10.198
bonds (distance) P-C4' energy: -9.534
flat angles C4'-P-C4' energy: -9.929
flat angles P-C4'-P energy: -3.965
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: 8, replica: 2
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -70.563945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.563945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.563945 (E_RNA)
where:
Base-Base interactions energy: -36.387
where: short stacking energy: -14.314
Base-Backbone interact. energy: -0.154
local terms energy: -34.022172
where:
bonds (distance) C4'-P energy: -10.681
bonds (distance) P-C4' energy: -10.526
flat angles C4'-P-C4' energy: -5.631
flat angles P-C4'-P energy: -4.486
tors. eta vs tors. theta energy: -2.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -55.238338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.238338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.238338 (E_RNA)
where:
Base-Base interactions energy: -14.918
where: short stacking energy: -14.918
Base-Backbone interact. energy: -0.200
local terms energy: -40.120155
where:
bonds (distance) C4'-P energy: -9.046
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -10.239
flat angles P-C4'-P energy: -6.185
tors. eta vs tors. theta energy: -2.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -60.616841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.616841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.616841 (E_RNA)
where:
Base-Base interactions energy: -23.278
where: short stacking energy: -20.094
Base-Backbone interact. energy: -0.290
local terms energy: -37.049039
where:
bonds (distance) C4'-P energy: -8.792
bonds (distance) P-C4' energy: -8.990
flat angles C4'-P-C4' energy: -10.221
flat angles P-C4'-P energy: -6.766
tors. eta vs tors. theta energy: -2.280
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: 9
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -162.241089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.241089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.241089 (E_RNA)
where:
Base-Base interactions energy: -109.277
where: short stacking energy: -37.881
Base-Backbone interact. energy: 1.257
local terms energy: -54.221005
where:
bonds (distance) C4'-P energy: -10.648
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -10.066
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -10.519
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: 1
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -150.795197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.795197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.795197 (E_RNA)
where:
Base-Base interactions energy: -102.311
where: short stacking energy: -37.529
Base-Backbone interact. energy: -0.006
local terms energy: -48.478324
where:
bonds (distance) C4'-P energy: -9.816
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -5.203
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: 3, replica: 6
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -151.741507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.741507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.741507 (E_RNA)
where:
Base-Base interactions energy: -102.024
where: short stacking energy: -39.996
Base-Backbone interact. energy: -0.070
local terms energy: -49.648273
where:
bonds (distance) C4'-P energy: -7.573
bonds (distance) P-C4' energy: -11.711
flat angles C4'-P-C4' energy: -8.911
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -11.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -148.700678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.700678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.700678 (E_RNA)
where:
Base-Base interactions energy: -104.928
where: short stacking energy: -29.051
Base-Backbone interact. energy: -0.210
local terms energy: -43.562025
where:
bonds (distance) C4'-P energy: -10.432
bonds (distance) P-C4' energy: -9.335
flat angles C4'-P-C4' energy: -5.985
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -10.301
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: 4
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -125.495822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.495822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.495822 (E_RNA)
where:
Base-Base interactions energy: -76.464
where: short stacking energy: -33.975
Base-Backbone interact. energy: -0.110
local terms energy: -48.922302
where:
bonds (distance) C4'-P energy: -9.037
bonds (distance) P-C4' energy: -14.478
flat angles C4'-P-C4' energy: -11.148
flat angles P-C4'-P energy: -4.578
tors. eta vs tors. theta energy: -9.681
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: 5
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -76.857636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.857636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.857636 (E_RNA)
where:
Base-Base interactions energy: -30.964
where: short stacking energy: -28.652
Base-Backbone interact. energy: -0.031
local terms energy: -45.862214
where:
bonds (distance) C4'-P energy: -9.473
bonds (distance) P-C4' energy: -12.188
flat angles C4'-P-C4' energy: -9.346
flat angles P-C4'-P energy: -6.325
tors. eta vs tors. theta energy: -8.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -86.329513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.329513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.329513 (E_RNA)
where:
Base-Base interactions energy: -41.598
where: short stacking energy: -19.665
Base-Backbone interact. energy: -0.360
local terms energy: -44.371076
where:
bonds (distance) C4'-P energy: -10.271
bonds (distance) P-C4' energy: -12.208
flat angles C4'-P-C4' energy: -11.503
flat angles P-C4'-P energy: -7.928
tors. eta vs tors. theta energy: -2.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -62.210018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.210018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.210018 (E_RNA)
where:
Base-Base interactions energy: -19.643
where: short stacking energy: -19.643
Base-Backbone interact. energy: -0.002
local terms energy: -42.565195
where:
bonds (distance) C4'-P energy: -10.636
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -7.266
flat angles P-C4'-P energy: -4.609
tors. eta vs tors. theta energy: -8.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -68.104344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.104344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.104344 (E_RNA)
where:
Base-Base interactions energy: -31.694
where: short stacking energy: -12.505
Base-Backbone interact. energy: -0.262
local terms energy: -36.148032
where:
bonds (distance) C4'-P energy: -11.282
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -7.979
flat angles P-C4'-P energy: -5.757
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: 10, replica: 7
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -68.382545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.382545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.382545 (E_RNA)
where:
Base-Base interactions energy: -35.728
where: short stacking energy: -10.984
Base-Backbone interact. energy: 1.562
local terms energy: -34.216157
where:
bonds (distance) C4'-P energy: -12.097
bonds (distance) P-C4' energy: -8.284
flat angles C4'-P-C4' energy: -7.799
flat angles P-C4'-P energy: -6.355
tors. eta vs tors. theta energy: 0.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -159.631806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.631806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.631806 (E_RNA)
where:
Base-Base interactions energy: -108.049
where: short stacking energy: -37.888
Base-Backbone interact. energy: -0.009
local terms energy: -51.574605
where:
bonds (distance) C4'-P energy: -11.074
bonds (distance) P-C4' energy: -11.339
flat angles C4'-P-C4' energy: -10.480
flat angles P-C4'-P energy: -7.559
tors. eta vs tors. theta energy: -11.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -154.703791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.703791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.703791 (E_RNA)
where:
Base-Base interactions energy: -107.769
where: short stacking energy: -43.113
Base-Backbone interact. energy: -0.612
local terms energy: -46.322601
where:
bonds (distance) C4'-P energy: -10.610
bonds (distance) P-C4' energy: -11.080
flat angles C4'-P-C4' energy: -10.708
flat angles P-C4'-P energy: -2.732
tors. eta vs tors. theta energy: -11.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -142.758446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.758446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.758446 (E_RNA)
where:
Base-Base interactions energy: -95.886
where: short stacking energy: -36.530
Base-Backbone interact. energy: -0.044
local terms energy: -46.828401
where:
bonds (distance) C4'-P energy: -11.870
bonds (distance) P-C4' energy: -10.059
flat angles C4'-P-C4' energy: -9.862
flat angles P-C4'-P energy: -6.426
tors. eta vs tors. theta energy: -8.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -150.167870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.167870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.167870 (E_RNA)
where:
Base-Base interactions energy: -97.908
where: short stacking energy: -36.710
Base-Backbone interact. energy: -0.393
local terms energy: -51.867477
where:
bonds (distance) C4'-P energy: -10.188
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -11.355
flat angles P-C4'-P energy: -6.825
tors. eta vs tors. theta energy: -10.815
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: 5
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -79.330034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.330034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.330034 (E_RNA)
where:
Base-Base interactions energy: -24.541
where: short stacking energy: -24.431
Base-Backbone interact. energy: -0.043
local terms energy: -54.745319
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -11.421
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -9.703
tors. eta vs tors. theta energy: -7.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -126.002828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.002828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.002828 (E_RNA)
where:
Base-Base interactions energy: -76.289
where: short stacking energy: -33.883
Base-Backbone interact. energy: -0.214
local terms energy: -49.500052
where:
bonds (distance) C4'-P energy: -8.284
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -11.338
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -9.811
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: 8
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -79.720996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.720996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.720996 (E_RNA)
where:
Base-Base interactions energy: -34.108
where: short stacking energy: -22.336
Base-Backbone interact. energy: -0.944
local terms energy: -44.668370
where:
bonds (distance) C4'-P energy: -14.320
bonds (distance) P-C4' energy: -9.581
flat angles C4'-P-C4' energy: -10.192
flat angles P-C4'-P energy: -5.189
tors. eta vs tors. theta energy: -5.386
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: 8, replica: 3
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -62.762394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.762394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.762394 (E_RNA)
where:
Base-Base interactions energy: -28.165
where: short stacking energy: -16.348
Base-Backbone interact. energy: -0.030
local terms energy: -34.567869
where:
bonds (distance) C4'-P energy: -10.048
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -9.898
flat angles P-C4'-P energy: -3.321
tors. eta vs tors. theta energy: -0.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -60.641903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.641903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.641903 (E_RNA)
where:
Base-Base interactions energy: -20.775
where: short stacking energy: -6.525
Base-Backbone interact. energy: -0.401
local terms energy: -39.465957
where:
bonds (distance) C4'-P energy: -7.225
bonds (distance) P-C4' energy: -10.042
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: 1.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -59.633188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.633188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.633188 (E_RNA)
where:
Base-Base interactions energy: -24.161
where: short stacking energy: -16.976
Base-Backbone interact. energy: 1.056
local terms energy: -36.527703
where:
bonds (distance) C4'-P energy: -6.692
bonds (distance) P-C4' energy: -10.394
flat angles C4'-P-C4' energy: -11.071
flat angles P-C4'-P energy: -5.031
tors. eta vs tors. theta energy: -3.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -156.141086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.141086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.141086 (E_RNA)
where:
Base-Base interactions energy: -98.520
where: short stacking energy: -39.069
Base-Backbone interact. energy: -0.122
local terms energy: -57.499647
where:
bonds (distance) C4'-P energy: -10.818
bonds (distance) P-C4' energy: -11.838
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -7.514
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: 2, replica: 1
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -148.565470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.565470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.565470 (E_RNA)
where:
Base-Base interactions energy: -91.073
where: short stacking energy: -44.541
Base-Backbone interact. energy: -0.068
local terms energy: -57.423792
where:
bonds (distance) C4'-P energy: -11.311
bonds (distance) P-C4' energy: -14.150
flat angles C4'-P-C4' energy: -10.953
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -12.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -150.075305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.075305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.075305 (E_RNA)
where:
Base-Base interactions energy: -102.147
where: short stacking energy: -29.327
Base-Backbone interact. energy: -0.328
local terms energy: -47.600176
where:
bonds (distance) C4'-P energy: -10.103
bonds (distance) P-C4' energy: -10.905
flat angles C4'-P-C4' energy: -10.796
flat angles P-C4'-P energy: -7.844
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: 4, replica: 6
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -138.583246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.583246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.583246 (E_RNA)
where:
Base-Base interactions energy: -86.149
where: short stacking energy: -34.189
Base-Backbone interact. energy: -0.009
local terms energy: -52.425394
where:
bonds (distance) C4'-P energy: -10.458
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -10.927
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -7.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -65.399356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.399356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.399356 (E_RNA)
where:
Base-Base interactions energy: -22.527
where: short stacking energy: -22.527
Base-Backbone interact. energy: -0.084
local terms energy: -42.788404
where:
bonds (distance) C4'-P energy: -8.044
bonds (distance) P-C4' energy: -11.457
flat angles C4'-P-C4' energy: -11.699
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -3.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -122.824364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.824364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.824364 (E_RNA)
where:
Base-Base interactions energy: -76.297
where: short stacking energy: -33.479
Base-Backbone interact. energy: -0.109
local terms energy: -46.418892
where:
bonds (distance) C4'-P energy: -8.453
bonds (distance) P-C4' energy: -11.008
flat angles C4'-P-C4' energy: -11.101
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -8.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -75.304784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.304784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.304784 (E_RNA)
where:
Base-Base interactions energy: -37.927
where: short stacking energy: -13.289
Base-Backbone interact. energy: -0.262
local terms energy: -37.115784
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -7.712
flat angles C4'-P-C4' energy: -8.944
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: 1.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -66.672272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.672272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.672272 (E_RNA)
where:
Base-Base interactions energy: -26.289
where: short stacking energy: -26.289
Base-Backbone interact. energy: -0.133
local terms energy: -40.249971
where:
bonds (distance) C4'-P energy: -7.072
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -8.091
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -3.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -55.008370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.008370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.008370 (E_RNA)
where:
Base-Base interactions energy: -17.717
where: short stacking energy: -10.537
Base-Backbone interact. energy: -0.082
local terms energy: -37.210053
where:
bonds (distance) C4'-P energy: -7.545
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -12.449
flat angles P-C4'-P energy: -6.564
tors. eta vs tors. theta energy: 1.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -57.404466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.404466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.404466 (E_RNA)
where:
Base-Base interactions energy: -16.942
where: short stacking energy: -17.087
Base-Backbone interact. energy: -0.002
local terms energy: -40.460298
where:
bonds (distance) C4'-P energy: -7.109
bonds (distance) P-C4' energy: -11.317
flat angles C4'-P-C4' energy: -9.203
flat angles P-C4'-P energy: -7.106
tors. eta vs tors. theta energy: -5.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -144.126298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.126298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.126298 (E_RNA)
where:
Base-Base interactions energy: -95.734
where: short stacking energy: -30.587
Base-Backbone interact. energy: 0.168
local terms energy: -48.560054
where:
bonds (distance) C4'-P energy: -12.515
bonds (distance) P-C4' energy: -10.375
flat angles C4'-P-C4' energy: -11.151
flat angles P-C4'-P energy: -7.202
tors. eta vs tors. theta energy: -7.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -154.567323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.567323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.567323 (E_RNA)
where:
Base-Base interactions energy: -96.848
where: short stacking energy: -44.000
Base-Backbone interact. energy: -0.097
local terms energy: -57.622161
where:
bonds (distance) C4'-P energy: -13.529
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -8.413
flat angles P-C4'-P energy: -6.551
tors. eta vs tors. theta energy: -15.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -134.643090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.643090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.643090 (E_RNA)
where:
Base-Base interactions energy: -82.481
where: short stacking energy: -35.634
Base-Backbone interact. energy: -0.003
local terms energy: -52.159897
where:
bonds (distance) C4'-P energy: -11.150
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -13.568
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -7.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -140.695302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.695302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.695302 (E_RNA)
where:
Base-Base interactions energy: -89.333
where: short stacking energy: -29.527
Base-Backbone interact. energy: -1.021
local terms energy: -50.340372
where:
bonds (distance) C4'-P energy: -11.422
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: -10.360
flat angles P-C4'-P energy: -6.513
tors. eta vs tors. theta energy: -10.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -134.896797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.896797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.896797 (E_RNA)
where:
Base-Base interactions energy: -84.928
where: short stacking energy: -35.431
Base-Backbone interact. energy: 2.069
local terms energy: -52.037619
where:
bonds (distance) C4'-P energy: -11.976
bonds (distance) P-C4' energy: -11.479
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -3.484
tors. eta vs tors. theta energy: -13.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -66.648182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.648182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.648182 (E_RNA)
where:
Base-Base interactions energy: -22.516
where: short stacking energy: -18.298
Base-Backbone interact. energy: -0.608
local terms energy: -43.523733
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -7.986
flat angles C4'-P-C4' energy: -10.035
flat angles P-C4'-P energy: -7.263
tors. eta vs tors. theta energy: -5.777
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: 7
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -72.668602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.668602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.668602 (E_RNA)
where:
Base-Base interactions energy: -27.547
where: short stacking energy: -20.668
Base-Backbone interact. energy: -0.150
local terms energy: -44.971597
where:
bonds (distance) C4'-P energy: -10.780
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -11.780
flat angles P-C4'-P energy: -4.625
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -72.132528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.132528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.132528 (E_RNA)
where:
Base-Base interactions energy: -35.300
where: short stacking energy: -16.501
Base-Backbone interact. energy: 0.881
local terms energy: -37.714078
where:
bonds (distance) C4'-P energy: -11.274
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -8.869
flat angles P-C4'-P energy: -4.153
tors. eta vs tors. theta energy: 0.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -51.774737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.774737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.774737 (E_RNA)
where:
Base-Base interactions energy: -17.329
where: short stacking energy: -17.329
Base-Backbone interact. energy: -0.652
local terms energy: -33.793350
where:
bonds (distance) C4'-P energy: -9.026
bonds (distance) P-C4' energy: -4.084
flat angles C4'-P-C4' energy: -12.115
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: 1.348
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: 3
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -55.409053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.409053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.409053 (E_RNA)
where:
Base-Base interactions energy: -21.724
where: short stacking energy: -7.605
Base-Backbone interact. energy: -0.525
local terms energy: -33.160339
where:
bonds (distance) C4'-P energy: -9.866
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -8.151
flat angles P-C4'-P energy: -5.227
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: 1, replica: 1
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -164.549951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.549951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.549951 (E_RNA)
where:
Base-Base interactions energy: -113.796
where: short stacking energy: -38.350
Base-Backbone interact. energy: -0.057
local terms energy: -50.697170
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -11.393
flat angles C4'-P-C4' energy: -9.547
flat angles P-C4'-P energy: -6.421
tors. eta vs tors. theta energy: -11.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -139.931622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.931622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.931622 (E_RNA)
where:
Base-Base interactions energy: -88.545
where: short stacking energy: -36.524
Base-Backbone interact. energy: -0.013
local terms energy: -51.374270
where:
bonds (distance) C4'-P energy: -10.259
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -11.496
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -7.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -152.257698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.257698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.257698 (E_RNA)
where:
Base-Base interactions energy: -94.517
where: short stacking energy: -31.764
Base-Backbone interact. energy: -0.246
local terms energy: -57.494321
where:
bonds (distance) C4'-P energy: -12.419
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -11.401
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -12.815
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: 4
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -137.698899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.698899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.698899 (E_RNA)
where:
Base-Base interactions energy: -90.384
where: short stacking energy: -30.001
Base-Backbone interact. energy: -0.011
local terms energy: -47.304032
where:
bonds (distance) C4'-P energy: -10.193
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -10.478
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -7.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -132.393557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.393557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.393557 (E_RNA)
where:
Base-Base interactions energy: -82.621
where: short stacking energy: -36.425
Base-Backbone interact. energy: 0.675
local terms energy: -50.447591
where:
bonds (distance) C4'-P energy: -10.744
bonds (distance) P-C4' energy: -5.429
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -12.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -66.516966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.516966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.516966 (E_RNA)
where:
Base-Base interactions energy: -27.883
where: short stacking energy: -14.509
Base-Backbone interact. energy: -0.204
local terms energy: -38.430098
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -9.686
flat angles P-C4'-P energy: -5.214
tors. eta vs tors. theta energy: 2.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -71.837204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.837204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.837204 (E_RNA)
where:
Base-Base interactions energy: -28.072
where: short stacking energy: -21.459
Base-Backbone interact. energy: 0.735
local terms energy: -44.500481
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -11.721
flat angles C4'-P-C4' energy: -11.404
flat angles P-C4'-P energy: -4.318
tors. eta vs tors. theta energy: -3.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -74.157926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.157926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.157926 (E_RNA)
where:
Base-Base interactions energy: -26.535
where: short stacking energy: -16.867
Base-Backbone interact. energy: -0.059
local terms energy: -47.563684
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -10.564
flat angles C4'-P-C4' energy: -10.600
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -5.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -58.025514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.025514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.025514 (E_RNA)
where:
Base-Base interactions energy: -23.535
where: short stacking energy: -14.212
Base-Backbone interact. energy: -0.232
local terms energy: -34.259099
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -6.563
flat angles P-C4'-P energy: -3.291
tors. eta vs tors. theta energy: 1.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -67.256097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.256097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.256097 (E_RNA)
where:
Base-Base interactions energy: -33.823
where: short stacking energy: -7.716
Base-Backbone interact. energy: -0.131
local terms energy: -33.301413
where:
bonds (distance) C4'-P energy: -7.285
bonds (distance) P-C4' energy: -11.258
flat angles C4'-P-C4' energy: -10.261
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: 5.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -156.087466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.087466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.087466 (E_RNA)
where:
Base-Base interactions energy: -102.707
where: short stacking energy: -40.823
Base-Backbone interact. energy: -0.162
local terms energy: -53.218673
where:
bonds (distance) C4'-P energy: -10.996
bonds (distance) P-C4' energy: -9.588
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: -12.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -146.234069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.234069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.234069 (E_RNA)
where:
Base-Base interactions energy: -92.042
where: short stacking energy: -36.936
Base-Backbone interact. energy: -0.026
local terms energy: -54.166552
where:
bonds (distance) C4'-P energy: -10.519
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -12.853
flat angles P-C4'-P energy: -6.112
tors. eta vs tors. theta energy: -11.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -156.525604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.525604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.525604 (E_RNA)
where:
Base-Base interactions energy: -108.538
where: short stacking energy: -31.151
Base-Backbone interact. energy: -0.010
local terms energy: -47.977241
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -11.722
flat angles C4'-P-C4' energy: -7.884
flat angles P-C4'-P energy: -3.837
tors. eta vs tors. theta energy: -11.967
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: 222
Temperature: 1.050000
Total energy: -133.734084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.734084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.734084 (E_RNA)
where:
Base-Base interactions energy: -80.097
where: short stacking energy: -31.176
Base-Backbone interact. energy: -0.105
local terms energy: -53.531870
where:
bonds (distance) C4'-P energy: -9.659
bonds (distance) P-C4' energy: -10.411
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -7.122
tors. eta vs tors. theta energy: -12.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -130.352743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.352743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.352743 (E_RNA)
where:
Base-Base interactions energy: -81.737
where: short stacking energy: -34.494
Base-Backbone interact. energy: -0.107
local terms energy: -48.508107
where:
bonds (distance) C4'-P energy: -5.229
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -10.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -66.564013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.564013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.564013 (E_RNA)
where:
Base-Base interactions energy: -32.903
where: short stacking energy: -18.329
Base-Backbone interact. energy: -0.079
local terms energy: -33.582413
where:
bonds (distance) C4'-P energy: -10.743
bonds (distance) P-C4' energy: -7.003
flat angles C4'-P-C4' energy: -8.985
flat angles P-C4'-P energy: -5.238
tors. eta vs tors. theta energy: -1.614
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: 8
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -74.545983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.545983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.545983 (E_RNA)
where:
Base-Base interactions energy: -37.079
where: short stacking energy: -9.601
Base-Backbone interact. energy: 0.056
local terms energy: -37.522990
where:
bonds (distance) C4'-P energy: -9.651
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -10.942
flat angles P-C4'-P energy: -4.339
tors. eta vs tors. theta energy: 0.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -66.922120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.922120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.922120 (E_RNA)
where:
Base-Base interactions energy: -29.583
where: short stacking energy: -12.679
Base-Backbone interact. energy: -0.006
local terms energy: -37.332906
where:
bonds (distance) C4'-P energy: -10.909
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -8.495
flat angles P-C4'-P energy: -1.731
tors. eta vs tors. theta energy: -3.166
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: 222
Temperature: 1.300000
Total energy: -74.167417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.167417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.167417 (E_RNA)
where:
Base-Base interactions energy: -34.112
where: short stacking energy: -11.162
Base-Backbone interact. energy: -0.001
local terms energy: -40.055196
where:
bonds (distance) C4'-P energy: -10.785
bonds (distance) P-C4' energy: -10.341
flat angles C4'-P-C4' energy: -11.064
flat angles P-C4'-P energy: -4.715
tors. eta vs tors. theta energy: -3.150
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: 2
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -62.169271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.169271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.169271 (E_RNA)
where:
Base-Base interactions energy: -23.385
where: short stacking energy: -21.020
Base-Backbone interact. energy: -0.106
local terms energy: -38.678233
where:
bonds (distance) C4'-P energy: -10.031
bonds (distance) P-C4' energy: -10.200
flat angles C4'-P-C4' energy: -11.489
flat angles P-C4'-P energy: -5.016
tors. eta vs tors. theta energy: -1.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -154.978176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.978176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.978176 (E_RNA)
where:
Base-Base interactions energy: -100.354
where: short stacking energy: -32.021
Base-Backbone interact. energy: -0.256
local terms energy: -54.368324
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -11.060
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -9.004
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: 9
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -143.344485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.344485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.344485 (E_RNA)
where:
Base-Base interactions energy: -95.110
where: short stacking energy: -35.918
Base-Backbone interact. energy: -0.114
local terms energy: -48.120714
where:
bonds (distance) C4'-P energy: -10.002
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -5.028
flat angles P-C4'-P energy: -7.604
tors. eta vs tors. theta energy: -13.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -141.285722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.285722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.285722 (E_RNA)
where:
Base-Base interactions energy: -93.506
where: short stacking energy: -33.695
Base-Backbone interact. energy: -0.002
local terms energy: -47.778391
where:
bonds (distance) C4'-P energy: -9.911
bonds (distance) P-C4' energy: -10.400
flat angles C4'-P-C4' energy: -13.145
flat angles P-C4'-P energy: -5.068
tors. eta vs tors. theta energy: -9.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -136.651694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.651694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.651694 (E_RNA)
where:
Base-Base interactions energy: -83.585
where: short stacking energy: -38.080
Base-Backbone interact. energy: -0.069
local terms energy: -52.998171
where:
bonds (distance) C4'-P energy: -10.773
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -6.940
tors. eta vs tors. theta energy: -9.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -135.897937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.897937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.897937 (E_RNA)
where:
Base-Base interactions energy: -82.504
where: short stacking energy: -34.006
Base-Backbone interact. energy: -0.003
local terms energy: -53.390897
where:
bonds (distance) C4'-P energy: -10.441
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -7.477
tors. eta vs tors. theta energy: -9.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -79.651934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.651934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.651934 (E_RNA)
where:
Base-Base interactions energy: -49.157
where: short stacking energy: -19.000
Base-Backbone interact. energy: -0.205
local terms energy: -30.290223
where:
bonds (distance) C4'-P energy: -8.044
bonds (distance) P-C4' energy: -9.878
flat angles C4'-P-C4' energy: -10.144
flat angles P-C4'-P energy: -2.572
tors. eta vs tors. theta energy: 0.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -72.439797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.439797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.439797 (E_RNA)
where:
Base-Base interactions energy: -30.644
where: short stacking energy: -24.428
Base-Backbone interact. energy: -0.810
local terms energy: -40.985270
where:
bonds (distance) C4'-P energy: -11.092
bonds (distance) P-C4' energy: -10.253
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -7.124
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: 8, replica: 3
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -57.699454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.699454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.699454 (E_RNA)
where:
Base-Base interactions energy: -18.077
where: short stacking energy: -16.714
Base-Backbone interact. energy: -0.146
local terms energy: -39.477122
where:
bonds (distance) C4'-P energy: -11.071
bonds (distance) P-C4' energy: -6.541
flat angles C4'-P-C4' energy: -12.406
flat angles P-C4'-P energy: -6.714
tors. eta vs tors. theta energy: -2.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -62.102395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.102395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.102395 (E_RNA)
where:
Base-Base interactions energy: -22.268
where: short stacking energy: -13.208
Base-Backbone interact. energy: -0.772
local terms energy: -39.062376
where:
bonds (distance) C4'-P energy: -9.667
bonds (distance) P-C4' energy: -11.916
flat angles C4'-P-C4' energy: -8.343
flat angles P-C4'-P energy: -5.716
tors. eta vs tors. theta energy: -3.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -57.753728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.753728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.753728 (E_RNA)
where:
Base-Base interactions energy: -32.685
where: short stacking energy: -21.839
Base-Backbone interact. energy: 0.781
local terms energy: -25.850224
where:
bonds (distance) C4'-P energy: -1.098
bonds (distance) P-C4' energy: -12.283
flat angles C4'-P-C4' energy: -8.140
flat angles P-C4'-P energy: -2.565
tors. eta vs tors. theta energy: -1.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -143.221728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.221728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.221728 (E_RNA)
where:
Base-Base interactions energy: -82.626
where: short stacking energy: -40.159
Base-Backbone interact. energy: -0.789
local terms energy: -59.806822
where:
bonds (distance) C4'-P energy: -11.070
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -8.751
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: 2, replica: 6
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -154.362831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.362831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.362831 (E_RNA)
where:
Base-Base interactions energy: -98.184
where: short stacking energy: -39.031
Base-Backbone interact. energy: -0.101
local terms energy: -56.077723
where:
bonds (distance) C4'-P energy: -10.326
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -5.592
tors. eta vs tors. theta energy: -12.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -132.052612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.052612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.052612 (E_RNA)
where:
Base-Base interactions energy: -84.850
where: short stacking energy: -26.814
Base-Backbone interact. energy: -0.099
local terms energy: -47.103481
where:
bonds (distance) C4'-P energy: -8.383
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -9.069
flat angles P-C4'-P energy: -6.958
tors. eta vs tors. theta energy: -8.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -134.340708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.340708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.340708 (E_RNA)
where:
Base-Base interactions energy: -81.532
where: short stacking energy: -44.787
Base-Backbone interact. energy: -0.001
local terms energy: -52.807296
where:
bonds (distance) C4'-P energy: -10.707
bonds (distance) P-C4' energy: -8.156
flat angles C4'-P-C4' energy: -11.017
flat angles P-C4'-P energy: -10.418
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: 5, replica: 8
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -72.425320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.425320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.425320 (E_RNA)
where:
Base-Base interactions energy: -39.015
where: short stacking energy: -21.033
Base-Backbone interact. energy: 1.366
local terms energy: -34.776487
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -9.618
flat angles C4'-P-C4' energy: -11.565
flat angles P-C4'-P energy: -2.944
tors. eta vs tors. theta energy: 1.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -127.206917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.206917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.206917 (E_RNA)
where:
Base-Base interactions energy: -81.323
where: short stacking energy: -28.079
Base-Backbone interact. energy: -0.170
local terms energy: -45.714694
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -8.984
flat angles P-C4'-P energy: -4.732
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: 7, replica: 3
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -65.873518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.873518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.873518 (E_RNA)
where:
Base-Base interactions energy: -25.164
where: short stacking energy: -19.871
Base-Backbone interact. energy: -0.299
local terms energy: -40.410577
where:
bonds (distance) C4'-P energy: -9.809
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -5.366
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -3.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -58.328615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.328615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.328615 (E_RNA)
where:
Base-Base interactions energy: -21.712
where: short stacking energy: -10.795
Base-Backbone interact. energy: 0.854
local terms energy: -37.470219
where:
bonds (distance) C4'-P energy: -9.840
bonds (distance) P-C4' energy: -11.969
flat angles C4'-P-C4' energy: -10.568
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: 2.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -70.529127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.529127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.529127 (E_RNA)
where:
Base-Base interactions energy: -29.660
where: short stacking energy: -29.660
Base-Backbone interact. energy: -0.075
local terms energy: -40.793504
where:
bonds (distance) C4'-P energy: -6.478
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -7.694
flat angles P-C4'-P energy: -6.590
tors. eta vs tors. theta energy: -7.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -62.574436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.574436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.574436 (E_RNA)
where:
Base-Base interactions energy: -28.042
where: short stacking energy: -14.287
Base-Backbone interact. energy: -0.240
local terms energy: -34.292363
where:
bonds (distance) C4'-P energy: -9.957
bonds (distance) P-C4' energy: -11.740
flat angles C4'-P-C4' energy: -6.484
flat angles P-C4'-P energy: -4.621
tors. eta vs tors. theta energy: -1.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -154.648070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.648070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.648070 (E_RNA)
where:
Base-Base interactions energy: -106.236
where: short stacking energy: -40.471
Base-Backbone interact. energy: 0.535
local terms energy: -48.947420
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -11.111
flat angles C4'-P-C4' energy: -7.218
flat angles P-C4'-P energy: -4.059
tors. eta vs tors. theta energy: -14.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -145.243521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.243521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.243521 (E_RNA)
where:
Base-Base interactions energy: -96.094
where: short stacking energy: -31.787
Base-Backbone interact. energy: -0.039
local terms energy: -49.110220
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -10.531
flat angles P-C4'-P energy: -3.878
tors. eta vs tors. theta energy: -9.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -136.780140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.780140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.780140 (E_RNA)
where:
Base-Base interactions energy: -89.033
where: short stacking energy: -38.792
Base-Backbone interact. energy: -0.087
local terms energy: -47.660209
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -9.952
flat angles C4'-P-C4' energy: -10.907
flat angles P-C4'-P energy: -2.794
tors. eta vs tors. theta energy: -11.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -130.147402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.147402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.147402 (E_RNA)
where:
Base-Base interactions energy: -78.463
where: short stacking energy: -30.529
Base-Backbone interact. energy: -0.005
local terms energy: -51.679221
where:
bonds (distance) C4'-P energy: -9.576
bonds (distance) P-C4' energy: -11.583
flat angles C4'-P-C4' energy: -11.450
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -10.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -81.495601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.495601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.495601 (E_RNA)
where:
Base-Base interactions energy: -42.899
where: short stacking energy: -14.934
Base-Backbone interact. energy: -0.373
local terms energy: -38.223987
where:
bonds (distance) C4'-P energy: -8.242
bonds (distance) P-C4' energy: -11.033
flat angles C4'-P-C4' energy: -9.185
flat angles P-C4'-P energy: -7.622
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: 6, replica: 10
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -122.326065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.326065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.326065 (E_RNA)
where:
Base-Base interactions energy: -72.396
where: short stacking energy: -25.082
Base-Backbone interact. energy: -0.134
local terms energy: -49.795728
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -8.681
flat angles C4'-P-C4' energy: -12.019
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -5.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -65.325573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.325573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.325573 (E_RNA)
where:
Base-Base interactions energy: -18.347
where: short stacking energy: -18.347
Base-Backbone interact. energy: -0.122
local terms energy: -46.856806
where:
bonds (distance) C4'-P energy: -11.041
bonds (distance) P-C4' energy: -12.650
flat angles C4'-P-C4' energy: -10.118
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -4.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -62.368579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.368579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.368579 (E_RNA)
where:
Base-Base interactions energy: -18.885
where: short stacking energy: -18.885
Base-Backbone interact. energy: -0.127
local terms energy: -43.356565
where:
bonds (distance) C4'-P energy: -7.555
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -11.330
flat angles P-C4'-P energy: -7.006
tors. eta vs tors. theta energy: -4.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -57.109579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.109579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.109579 (E_RNA)
where:
Base-Base interactions energy: -19.585
where: short stacking energy: -11.768
Base-Backbone interact. energy: -0.091
local terms energy: -37.433589
where:
bonds (distance) C4'-P energy: -11.202
bonds (distance) P-C4' energy: -10.823
flat angles C4'-P-C4' energy: -6.655
flat angles P-C4'-P energy: -7.497
tors. eta vs tors. theta energy: -1.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -63.093707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.093707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.093707 (E_RNA)
where:
Base-Base interactions energy: -28.216
where: short stacking energy: -6.555
Base-Backbone interact. energy: -0.065
local terms energy: -34.812547
where:
bonds (distance) C4'-P energy: -7.511
bonds (distance) P-C4' energy: -10.687
flat angles C4'-P-C4' energy: -8.204
flat angles P-C4'-P energy: -7.777
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: 9
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -148.220214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.220214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.220214 (E_RNA)
where:
Base-Base interactions energy: -88.645
where: short stacking energy: -40.270
Base-Backbone interact. energy: -0.247
local terms energy: -59.327740
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -11.365
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: -14.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -152.299669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.299669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.299669 (E_RNA)
where:
Base-Base interactions energy: -97.578
where: short stacking energy: -33.064
Base-Backbone interact. energy: -1.054
local terms energy: -53.668406
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -12.620
flat angles C4'-P-C4' energy: -9.110
flat angles P-C4'-P energy: -8.704
tors. eta vs tors. theta energy: -11.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -132.794560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.794560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.794560 (E_RNA)
where:
Base-Base interactions energy: -80.527
where: short stacking energy: -33.196
Base-Backbone interact. energy: -0.081
local terms energy: -52.186757
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -12.264
flat angles C4'-P-C4' energy: -11.515
flat angles P-C4'-P energy: -7.959
tors. eta vs tors. theta energy: -7.959
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: 6
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -140.538508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.538508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.538508 (E_RNA)
where:
Base-Base interactions energy: -89.513
where: short stacking energy: -34.301
Base-Backbone interact. energy: -0.099
local terms energy: -50.926505
where:
bonds (distance) C4'-P energy: -12.349
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -8.700
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -8.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -117.627963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.627963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.627963 (E_RNA)
where:
Base-Base interactions energy: -70.462
where: short stacking energy: -27.139
Base-Backbone interact. energy: -0.034
local terms energy: -47.132809
where:
bonds (distance) C4'-P energy: -10.599
bonds (distance) P-C4' energy: -10.839
flat angles C4'-P-C4' energy: -12.060
flat angles P-C4'-P energy: -5.083
tors. eta vs tors. theta energy: -8.552
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: 8
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -80.201185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.201185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.201185 (E_RNA)
where:
Base-Base interactions energy: -36.524
where: short stacking energy: -19.773
Base-Backbone interact. energy: -0.158
local terms energy: -43.518902
where:
bonds (distance) C4'-P energy: -10.747
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -7.048
tors. eta vs tors. theta energy: 0.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -58.993259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.993259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.993259 (E_RNA)
where:
Base-Base interactions energy: -16.859
where: short stacking energy: -16.562
Base-Backbone interact. energy: -0.163
local terms energy: -41.971048
where:
bonds (distance) C4'-P energy: -11.840
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -11.632
flat angles P-C4'-P energy: -7.513
tors. eta vs tors. theta energy: 2.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -62.790449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.790449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.790449 (E_RNA)
where:
Base-Base interactions energy: -23.253
where: short stacking energy: -7.044
Base-Backbone interact. energy: -0.156
local terms energy: -39.381513
where:
bonds (distance) C4'-P energy: -11.770
bonds (distance) P-C4' energy: -11.461
flat angles C4'-P-C4' energy: -11.406
flat angles P-C4'-P energy: -4.821
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: 9, replica: 5
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -70.899428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.899428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.899428 (E_RNA)
where:
Base-Base interactions energy: -38.320
where: short stacking energy: -17.035
Base-Backbone interact. energy: -0.180
local terms energy: -32.399250
where:
bonds (distance) C4'-P energy: -11.016
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -7.103
flat angles P-C4'-P energy: -1.171
tors. eta vs tors. theta energy: 1.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -62.724277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.724277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.724277 (E_RNA)
where:
Base-Base interactions energy: -29.067
where: short stacking energy: -27.303
Base-Backbone interact. energy: -0.085
local terms energy: -33.573211
where:
bonds (distance) C4'-P energy: -7.841
bonds (distance) P-C4' energy: -7.480
flat angles C4'-P-C4' energy: -6.221
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: -4.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -151.976019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.976019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.976019 (E_RNA)
where:
Base-Base interactions energy: -104.749
where: short stacking energy: -42.858
Base-Backbone interact. energy: -0.093
local terms energy: -47.133667
where:
bonds (distance) C4'-P energy: -10.226
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -9.638
flat angles P-C4'-P energy: -3.491
tors. eta vs tors. theta energy: -12.672
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: 2, replica: 4
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -149.501359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.501359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.501359 (E_RNA)
where:
Base-Base interactions energy: -98.086
where: short stacking energy: -38.398
Base-Backbone interact. energy: -0.011
local terms energy: -51.404968
where:
bonds (distance) C4'-P energy: -12.672
bonds (distance) P-C4' energy: -11.514
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -5.009
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: 3, replica: 1
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -138.121945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.121945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.121945 (E_RNA)
where:
Base-Base interactions energy: -93.859
where: short stacking energy: -28.304
Base-Backbone interact. energy: -0.136
local terms energy: -44.126827
where:
bonds (distance) C4'-P energy: -10.210
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -9.101
flat angles P-C4'-P energy: -4.988
tors. eta vs tors. theta energy: -6.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -134.322529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.322529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.322529 (E_RNA)
where:
Base-Base interactions energy: -87.496
where: short stacking energy: -30.013
Base-Backbone interact. energy: -0.078
local terms energy: -46.748651
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -7.095
flat angles P-C4'-P energy: -5.798
tors. eta vs tors. theta energy: -8.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -147.423310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.423310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.423310 (E_RNA)
where:
Base-Base interactions energy: -101.068
where: short stacking energy: -33.990
Base-Backbone interact. energy: -0.011
local terms energy: -46.344264
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -7.467
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -6.969
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: 2
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -68.129112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.129112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.129112 (E_RNA)
where:
Base-Base interactions energy: -29.724
where: short stacking energy: -18.569
Base-Backbone interact. energy: -0.156
local terms energy: -38.249860
where:
bonds (distance) C4'-P energy: -8.677
bonds (distance) P-C4' energy: -7.865
flat angles C4'-P-C4' energy: -11.704
flat angles P-C4'-P energy: -4.640
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: 7, replica: 8
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -64.265476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.265476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.265476 (E_RNA)
where:
Base-Base interactions energy: -25.161
where: short stacking energy: -20.432
Base-Backbone interact. energy: -0.162
local terms energy: -38.942077
where:
bonds (distance) C4'-P energy: -12.009
bonds (distance) P-C4' energy: -8.734
flat angles C4'-P-C4' energy: -9.884
flat angles P-C4'-P energy: -5.274
tors. eta vs tors. theta energy: -3.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -65.150694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.150694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.150694 (E_RNA)
where:
Base-Base interactions energy: -22.640
where: short stacking energy: -18.324
Base-Backbone interact. energy: -0.001
local terms energy: -42.509531
where:
bonds (distance) C4'-P energy: -9.347
bonds (distance) P-C4' energy: -10.810
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -1.860
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: 5
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -60.785323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.785323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.785323 (E_RNA)
where:
Base-Base interactions energy: -27.150
where: short stacking energy: -15.795
Base-Backbone interact. energy: -0.090
local terms energy: -33.545200
where:
bonds (distance) C4'-P energy: -9.108
bonds (distance) P-C4' energy: -10.612
flat angles C4'-P-C4' energy: -10.676
flat angles P-C4'-P energy: -3.388
tors. eta vs tors. theta energy: 0.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -61.270862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.270862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.270862 (E_RNA)
where:
Base-Base interactions energy: -23.905
where: short stacking energy: -18.747
Base-Backbone interact. energy: -1.865
local terms energy: -35.500213
where:
bonds (distance) C4'-P energy: -6.979
bonds (distance) P-C4' energy: -9.678
flat angles C4'-P-C4' energy: -10.684
flat angles P-C4'-P energy: -5.809
tors. eta vs tors. theta energy: -2.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -154.352528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.352528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.352528 (E_RNA)
where:
Base-Base interactions energy: -100.782
where: short stacking energy: -38.246
Base-Backbone interact. energy: -0.173
local terms energy: -53.397307
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -10.840
flat angles P-C4'-P energy: -7.935
tors. eta vs tors. theta energy: -8.842
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: 9
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -146.891789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.891789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.891789 (E_RNA)
where:
Base-Base interactions energy: -93.655
where: short stacking energy: -31.381
Base-Backbone interact. energy: -0.015
local terms energy: -53.222053
where:
bonds (distance) C4'-P energy: -13.877
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -10.503
flat angles P-C4'-P energy: -7.378
tors. eta vs tors. theta energy: -9.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -147.937701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.937701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.937701 (E_RNA)
where:
Base-Base interactions energy: -92.581
where: short stacking energy: -44.654
Base-Backbone interact. energy: -0.001
local terms energy: -55.355131
where:
bonds (distance) C4'-P energy: -11.836
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -9.937
flat angles P-C4'-P energy: -6.330
tors. eta vs tors. theta energy: -15.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -134.581094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.581094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.581094 (E_RNA)
where:
Base-Base interactions energy: -82.749
where: short stacking energy: -37.451
Base-Backbone interact. energy: -0.854
local terms energy: -50.978216
where:
bonds (distance) C4'-P energy: -10.093
bonds (distance) P-C4' energy: -11.856
flat angles C4'-P-C4' energy: -10.732
flat angles P-C4'-P energy: -7.692
tors. eta vs tors. theta energy: -10.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -121.453621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.453621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.453621 (E_RNA)
where:
Base-Base interactions energy: -76.906
where: short stacking energy: -34.901
Base-Backbone interact. energy: -0.504
local terms energy: -44.043200
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -6.948
flat angles C4'-P-C4' energy: -11.850
flat angles P-C4'-P energy: -2.863
tors. eta vs tors. theta energy: -10.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -93.672867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.672867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.672867 (E_RNA)
where:
Base-Base interactions energy: -51.831
where: short stacking energy: -20.994
Base-Backbone interact. energy: -0.140
local terms energy: -41.701591
where:
bonds (distance) C4'-P energy: -9.307
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -7.651
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -2.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -67.124279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.124279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.124279 (E_RNA)
where:
Base-Base interactions energy: -24.776
where: short stacking energy: -17.540
Base-Backbone interact. energy: -1.058
local terms energy: -41.290656
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -9.317
flat angles C4'-P-C4' energy: -10.055
flat angles P-C4'-P energy: -7.159
tors. eta vs tors. theta energy: -1.958
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: 8
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -74.666207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.666207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.666207 (E_RNA)
where:
Base-Base interactions energy: -26.234
where: short stacking energy: -10.935
Base-Backbone interact. energy: -0.214
local terms energy: -48.218415
where:
bonds (distance) C4'-P energy: -9.957
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -12.131
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -2.849
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: 7
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -60.508658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.508658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.508658 (E_RNA)
where:
Base-Base interactions energy: -18.159
where: short stacking energy: -18.159
Base-Backbone interact. energy: -0.018
local terms energy: -42.331955
where:
bonds (distance) C4'-P energy: -12.394
bonds (distance) P-C4' energy: -11.057
flat angles C4'-P-C4' energy: -9.492
flat angles P-C4'-P energy: -4.195
tors. eta vs tors. theta energy: -5.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -76.127179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.127179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.127179 (E_RNA)
where:
Base-Base interactions energy: -42.998
where: short stacking energy: -6.692
Base-Backbone interact. energy: 0.154
local terms energy: -33.282523
where:
bonds (distance) C4'-P energy: -9.000
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -7.713
flat angles P-C4'-P energy: -4.814
tors. eta vs tors. theta energy: 0.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -144.352856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.352856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.352856 (E_RNA)
where:
Base-Base interactions energy: -82.830
where: short stacking energy: -40.082
Base-Backbone interact. energy: -0.059
local terms energy: -61.463464
where:
bonds (distance) C4'-P energy: -12.801
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -9.255
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: 2, replica: 9
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -151.802306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.802306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.802306 (E_RNA)
where:
Base-Base interactions energy: -100.767
where: short stacking energy: -43.487
Base-Backbone interact. energy: -0.850
local terms energy: -50.185723
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -11.110
flat angles P-C4'-P energy: -6.898
tors. eta vs tors. theta energy: -9.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -153.497418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.497418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.497418 (E_RNA)
where:
Base-Base interactions energy: -103.957
where: short stacking energy: -42.288
Base-Backbone interact. energy: -0.013
local terms energy: -49.527009
where:
bonds (distance) C4'-P energy: -11.807
bonds (distance) P-C4' energy: -8.713
flat angles C4'-P-C4' energy: -8.278
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -10.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -144.656302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.656302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.656302 (E_RNA)
where:
Base-Base interactions energy: -91.139
where: short stacking energy: -36.836
Base-Backbone interact. energy: -0.206
local terms energy: -53.311359
where:
bonds (distance) C4'-P energy: -13.799
bonds (distance) P-C4' energy: -10.996
flat angles C4'-P-C4' energy: -10.256
flat angles P-C4'-P energy: -8.321
tors. eta vs tors. theta energy: -9.939
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: 6
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -118.888018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.888018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.888018 (E_RNA)
where:
Base-Base interactions energy: -73.153
where: short stacking energy: -27.125
Base-Backbone interact. energy: -1.205
local terms energy: -44.530692
where:
bonds (distance) C4'-P energy: -12.793
bonds (distance) P-C4' energy: -12.345
flat angles C4'-P-C4' energy: -10.943
flat angles P-C4'-P energy: -5.358
tors. eta vs tors. theta energy: -3.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -69.562425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.562425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.562425 (E_RNA)
where:
Base-Base interactions energy: -27.444
where: short stacking energy: -19.954
Base-Backbone interact. energy: 0.488
local terms energy: -42.606821
where:
bonds (distance) C4'-P energy: -8.615
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -9.030
flat angles P-C4'-P energy: -6.184
tors. eta vs tors. theta energy: -5.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -71.552122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.552122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.552122 (E_RNA)
where:
Base-Base interactions energy: -28.041
where: short stacking energy: -23.191
Base-Backbone interact. energy: -0.093
local terms energy: -43.418368
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -10.279
flat angles P-C4'-P energy: -4.919
tors. eta vs tors. theta energy: -3.666
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: 8, replica: 7
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -68.468174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.468174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.468174 (E_RNA)
where:
Base-Base interactions energy: -25.411
where: short stacking energy: -17.362
Base-Backbone interact. energy: -0.002
local terms energy: -43.054404
where:
bonds (distance) C4'-P energy: -8.690
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -10.088
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: -3.751
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: 229
Temperature: 1.300000
Total energy: -80.959309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.959309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.959309 (E_RNA)
where:
Base-Base interactions energy: -42.100
where: short stacking energy: -24.365
Base-Backbone interact. energy: -0.029
local terms energy: -38.830218
where:
bonds (distance) C4'-P energy: -5.548
bonds (distance) P-C4' energy: -9.985
flat angles C4'-P-C4' energy: -6.699
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -5.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -52.580238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.580238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.580238 (E_RNA)
where:
Base-Base interactions energy: -12.216
where: short stacking energy: -11.779
Base-Backbone interact. energy: -0.075
local terms energy: -40.289631
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -7.314
flat angles P-C4'-P energy: -9.010
tors. eta vs tors. theta energy: 0.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -154.889373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.889373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.889373 (E_RNA)
where:
Base-Base interactions energy: -97.076
where: short stacking energy: -41.464
Base-Backbone interact. energy: -0.013
local terms energy: -57.800676
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -11.848
flat angles C4'-P-C4' energy: -12.047
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -12.294
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: 4
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -148.769021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.769021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.769021 (E_RNA)
where:
Base-Base interactions energy: -97.609
where: short stacking energy: -33.656
Base-Backbone interact. energy: -0.071
local terms energy: -51.088857
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -9.186
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -7.296
tors. eta vs tors. theta energy: -9.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -154.674856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.674856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.674856 (E_RNA)
where:
Base-Base interactions energy: -102.031
where: short stacking energy: -36.166
Base-Backbone interact. energy: -0.072
local terms energy: -52.572081
where:
bonds (distance) C4'-P energy: -12.983
bonds (distance) P-C4' energy: -12.172
flat angles C4'-P-C4' energy: -11.346
flat angles P-C4'-P energy: -6.939
tors. eta vs tors. theta energy: -9.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -147.927023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.927023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.927023 (E_RNA)
where:
Base-Base interactions energy: -96.416
where: short stacking energy: -35.347
Base-Backbone interact. energy: -0.019
local terms energy: -51.492700
where:
bonds (distance) C4'-P energy: -12.234
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -9.432
flat angles P-C4'-P energy: -5.048
tors. eta vs tors. theta energy: -11.979
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: 6
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -122.100434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.100434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.100434 (E_RNA)
where:
Base-Base interactions energy: -72.657
where: short stacking energy: -28.850
Base-Backbone interact. energy: -0.029
local terms energy: -49.414247
where:
bonds (distance) C4'-P energy: -10.490
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -8.060
flat angles P-C4'-P energy: -4.777
tors. eta vs tors. theta energy: -12.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -95.027045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.027045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.027045 (E_RNA)
where:
Base-Base interactions energy: -49.642
where: short stacking energy: -23.438
Base-Backbone interact. energy: 1.884
local terms energy: -47.269067
where:
bonds (distance) C4'-P energy: -10.855
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -5.930
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -8.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -64.266306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.266306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.266306 (E_RNA)
where:
Base-Base interactions energy: -19.625
where: short stacking energy: -15.745
Base-Backbone interact. energy: -0.517
local terms energy: -44.124293
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -12.106
flat angles C4'-P-C4' energy: -12.337
flat angles P-C4'-P energy: -5.965
tors. eta vs tors. theta energy: -0.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -59.100370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.100370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.100370 (E_RNA)
where:
Base-Base interactions energy: -14.008
where: short stacking energy: -10.878
Base-Backbone interact. energy: -0.153
local terms energy: -44.939048
where:
bonds (distance) C4'-P energy: -9.952
bonds (distance) P-C4' energy: -10.690
flat angles C4'-P-C4' energy: -11.168
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -3.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -82.872220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.872220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.872220 (E_RNA)
where:
Base-Base interactions energy: -50.241
where: short stacking energy: -24.235
Base-Backbone interact. energy: -0.061
local terms energy: -32.570415
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -9.108
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -3.530
tors. eta vs tors. theta energy: -1.025
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: 8
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -63.583591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.583591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.583591 (E_RNA)
where:
Base-Base interactions energy: -23.191
where: short stacking energy: -10.134
Base-Backbone interact. energy: -0.130
local terms energy: -40.263129
where:
bonds (distance) C4'-P energy: -10.955
bonds (distance) P-C4' energy: -10.820
flat angles C4'-P-C4' energy: -10.797
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: 2.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -152.054376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.054376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.054376 (E_RNA)
where:
Base-Base interactions energy: -96.456
where: short stacking energy: -40.918
Base-Backbone interact. energy: -0.035
local terms energy: -55.563592
where:
bonds (distance) C4'-P energy: -8.305
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: -12.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -155.979100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.979100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.979100 (E_RNA)
where:
Base-Base interactions energy: -98.891
where: short stacking energy: -38.238
Base-Backbone interact. energy: -0.596
local terms energy: -56.492434
where:
bonds (distance) C4'-P energy: -11.646
bonds (distance) P-C4' energy: -11.072
flat angles C4'-P-C4' energy: -10.900
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -13.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -134.460195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.460195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.460195 (E_RNA)
where:
Base-Base interactions energy: -82.567
where: short stacking energy: -34.493
Base-Backbone interact. energy: -0.222
local terms energy: -51.671695
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -6.668
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -10.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -134.934619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.934619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.934619 (E_RNA)
where:
Base-Base interactions energy: -89.749
where: short stacking energy: -32.562
Base-Backbone interact. energy: -0.124
local terms energy: -45.061001
where:
bonds (distance) C4'-P energy: -9.630
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -9.772
flat angles P-C4'-P energy: -4.577
tors. eta vs tors. theta energy: -9.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -129.513161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.513161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.513161 (E_RNA)
where:
Base-Base interactions energy: -83.100
where: short stacking energy: -33.477
Base-Backbone interact. energy: -0.014
local terms energy: -46.398439
where:
bonds (distance) C4'-P energy: -5.423
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -11.585
flat angles P-C4'-P energy: -7.329
tors. eta vs tors. theta energy: -9.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -63.157262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.157262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.157262 (E_RNA)
where:
Base-Base interactions energy: -22.385
where: short stacking energy: -19.199
Base-Backbone interact. energy: -0.050
local terms energy: -40.722006
where:
bonds (distance) C4'-P energy: -10.731
bonds (distance) P-C4' energy: -10.325
flat angles C4'-P-C4' energy: -5.785
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -3.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -75.891202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.891202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.891202 (E_RNA)
where:
Base-Base interactions energy: -33.724
where: short stacking energy: -16.375
Base-Backbone interact. energy: -0.000
local terms energy: -42.166623
where:
bonds (distance) C4'-P energy: -10.478
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -5.937
tors. eta vs tors. theta energy: 0.494
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: 5
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -65.746975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.746975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.746975 (E_RNA)
where:
Base-Base interactions energy: -26.968
where: short stacking energy: -14.978
Base-Backbone interact. energy: -0.065
local terms energy: -38.714277
where:
bonds (distance) C4'-P energy: -8.537
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -11.788
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: 2.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -64.935937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.935937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.935937 (E_RNA)
where:
Base-Base interactions energy: -29.076
where: short stacking energy: -17.842
Base-Backbone interact. energy: -0.117
local terms energy: -35.742922
where:
bonds (distance) C4'-P energy: -10.110
bonds (distance) P-C4' energy: -6.408
flat angles C4'-P-C4' energy: -9.522
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -0.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -57.350105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.350105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.350105 (E_RNA)
where:
Base-Base interactions energy: -19.737
where: short stacking energy: -8.826
Base-Backbone interact. energy: -0.181
local terms energy: -37.431928
where:
bonds (distance) C4'-P energy: -9.799
bonds (distance) P-C4' energy: -10.963
flat angles C4'-P-C4' energy: -11.520
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: 2.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -155.984898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.984898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.984898 (E_RNA)
where:
Base-Base interactions energy: -97.932
where: short stacking energy: -45.151
Base-Backbone interact. energy: -0.004
local terms energy: -58.048433
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -7.605
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: 2, replica: 9
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -146.905553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.905553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.905553 (E_RNA)
where:
Base-Base interactions energy: -95.762
where: short stacking energy: -35.078
Base-Backbone interact. energy: -0.034
local terms energy: -51.109771
where:
bonds (distance) C4'-P energy: -12.904
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -2.633
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: 3, replica: 6
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -131.542874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.542874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.542874 (E_RNA)
where:
Base-Base interactions energy: -80.183
where: short stacking energy: -36.582
Base-Backbone interact. energy: -0.185
local terms energy: -51.175504
where:
bonds (distance) C4'-P energy: -12.109
bonds (distance) P-C4' energy: -12.067
flat angles C4'-P-C4' energy: -10.350
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -8.723
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: 4, replica: 4
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -133.293644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.293644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.293644 (E_RNA)
where:
Base-Base interactions energy: -84.397
where: short stacking energy: -31.738
Base-Backbone interact. energy: -0.097
local terms energy: -48.799176
where:
bonds (distance) C4'-P energy: -8.947
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -9.080
flat angles P-C4'-P energy: -6.866
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: 5, replica: 10
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -107.881557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.881557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.881557 (E_RNA)
where:
Base-Base interactions energy: -67.505
where: short stacking energy: -24.692
Base-Backbone interact. energy: -0.164
local terms energy: -40.212721
where:
bonds (distance) C4'-P energy: -11.513
bonds (distance) P-C4' energy: -13.745
flat angles C4'-P-C4' energy: -7.497
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: 1.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -71.740234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.740234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.740234 (E_RNA)
where:
Base-Base interactions energy: -32.830
where: short stacking energy: -15.685
Base-Backbone interact. energy: -0.054
local terms energy: -38.856438
where:
bonds (distance) C4'-P energy: -8.710
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: 2.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -58.100538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.100538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.100538 (E_RNA)
where:
Base-Base interactions energy: -14.743
where: short stacking energy: -14.743
Base-Backbone interact. energy: -0.012
local terms energy: -43.345315
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -11.699
flat angles P-C4'-P energy: -8.368
tors. eta vs tors. theta energy: -0.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -54.120848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.120848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.120848 (E_RNA)
where:
Base-Base interactions energy: -25.194
where: short stacking energy: -14.162
Base-Backbone interact. energy: -0.626
local terms energy: -28.300864
where:
bonds (distance) C4'-P energy: -5.301
bonds (distance) P-C4' energy: -13.791
flat angles C4'-P-C4' energy: -8.941
flat angles P-C4'-P energy: -3.811
tors. eta vs tors. theta energy: 3.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -53.763883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.763883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.763883 (E_RNA)
where:
Base-Base interactions energy: -19.042
where: short stacking energy: -1.799
Base-Backbone interact. energy: -0.230
local terms energy: -34.491972
where:
bonds (distance) C4'-P energy: -10.126
bonds (distance) P-C4' energy: -11.085
flat angles C4'-P-C4' energy: -9.386
flat angles P-C4'-P energy: -6.008
tors. eta vs tors. theta energy: 2.113
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: 2
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -61.923050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.923050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.923050 (E_RNA)
where:
Base-Base interactions energy: -21.024
where: short stacking energy: -21.024
Base-Backbone interact. energy: -0.005
local terms energy: -40.894439
where:
bonds (distance) C4'-P energy: -9.605
bonds (distance) P-C4' energy: -10.603
flat angles C4'-P-C4' energy: -9.995
flat angles P-C4'-P energy: -5.434
tors. eta vs tors. theta energy: -5.257
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: 1
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -164.894368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.894368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.894368 (E_RNA)
where:
Base-Base interactions energy: -104.337
where: short stacking energy: -46.179
Base-Backbone interact. energy: 0.539
local terms energy: -61.096760
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -11.690
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: 6
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -142.617793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.617793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.617793 (E_RNA)
where:
Base-Base interactions energy: -89.521
where: short stacking energy: -36.260
Base-Backbone interact. energy: -0.973
local terms energy: -52.124308
where:
bonds (distance) C4'-P energy: -11.214
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -11.225
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -8.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -141.177867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.177867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.177867 (E_RNA)
where:
Base-Base interactions energy: -85.425
where: short stacking energy: -36.122
Base-Backbone interact. energy: -0.052
local terms energy: -55.701029
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -12.437
flat angles C4'-P-C4' energy: -11.445
flat angles P-C4'-P energy: -5.365
tors. eta vs tors. theta energy: -13.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -140.474518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.474518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.474518 (E_RNA)
where:
Base-Base interactions energy: -94.118
where: short stacking energy: -33.747
Base-Backbone interact. energy: 1.091
local terms energy: -47.448009
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -10.604
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: -4.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -116.695720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.695720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.695720 (E_RNA)
where:
Base-Base interactions energy: -67.252
where: short stacking energy: -21.273
Base-Backbone interact. energy: -0.265
local terms energy: -49.178864
where:
bonds (distance) C4'-P energy: -9.737
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -10.828
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -4.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -91.670717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.670717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.670717 (E_RNA)
where:
Base-Base interactions energy: -55.269
where: short stacking energy: -18.374
Base-Backbone interact. energy: -0.199
local terms energy: -36.202676
where:
bonds (distance) C4'-P energy: -9.203
bonds (distance) P-C4' energy: -9.977
flat angles C4'-P-C4' energy: -11.594
flat angles P-C4'-P energy: -1.597
tors. eta vs tors. theta energy: -3.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -67.613761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.613761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.613761 (E_RNA)
where:
Base-Base interactions energy: -26.023
where: short stacking energy: -18.314
Base-Backbone interact. energy: -0.052
local terms energy: -41.539343
where:
bonds (distance) C4'-P energy: -11.178
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -8.506
flat angles P-C4'-P energy: -6.338
tors. eta vs tors. theta energy: -1.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -62.047520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.047520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.047520 (E_RNA)
where:
Base-Base interactions energy: -23.827
where: short stacking energy: -13.651
Base-Backbone interact. energy: -0.106
local terms energy: -38.115237
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -8.675
flat angles C4'-P-C4' energy: -8.953
flat angles P-C4'-P energy: -3.724
tors. eta vs tors. theta energy: -4.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -73.498689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.498689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.498689 (E_RNA)
where:
Base-Base interactions energy: -37.950
where: short stacking energy: -15.996
Base-Backbone interact. energy: -1.570
local terms energy: -33.978021
where:
bonds (distance) C4'-P energy: -6.015
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -8.672
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: 0.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -56.924854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.924854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.924854 (E_RNA)
where:
Base-Base interactions energy: -19.978
where: short stacking energy: -19.530
Base-Backbone interact. energy: -0.203
local terms energy: -36.744008
where:
bonds (distance) C4'-P energy: -9.568
bonds (distance) P-C4' energy: -8.989
flat angles C4'-P-C4' energy: -11.580
flat angles P-C4'-P energy: -7.414
tors. eta vs tors. theta energy: 0.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -148.387325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.387325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.387325 (E_RNA)
where:
Base-Base interactions energy: -94.657
where: short stacking energy: -37.941
Base-Backbone interact. energy: -0.001
local terms energy: -53.729196
where:
bonds (distance) C4'-P energy: -9.762
bonds (distance) P-C4' energy: -11.672
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -8.610
tors. eta vs tors. theta energy: -11.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -154.150657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.150657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.150657 (E_RNA)
where:
Base-Base interactions energy: -104.928
where: short stacking energy: -43.009
Base-Backbone interact. energy: -0.524
local terms energy: -48.698706
where:
bonds (distance) C4'-P energy: -8.710
bonds (distance) P-C4' energy: -9.989
flat angles C4'-P-C4' energy: -7.582
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -13.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -138.322704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.322704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.322704 (E_RNA)
where:
Base-Base interactions energy: -85.271
where: short stacking energy: -33.655
Base-Backbone interact. energy: -0.106
local terms energy: -52.945708
where:
bonds (distance) C4'-P energy: -12.635
bonds (distance) P-C4' energy: -11.148
flat angles C4'-P-C4' energy: -12.400
flat angles P-C4'-P energy: -5.300
tors. eta vs tors. theta energy: -11.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -139.315637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.315637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.315637 (E_RNA)
where:
Base-Base interactions energy: -83.935
where: short stacking energy: -35.621
Base-Backbone interact. energy: -0.296
local terms energy: -55.084138
where:
bonds (distance) C4'-P energy: -10.445
bonds (distance) P-C4' energy: -12.078
flat angles C4'-P-C4' energy: -9.922
flat angles P-C4'-P energy: -9.278
tors. eta vs tors. theta energy: -13.362
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: 5, replica: 10
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -127.571071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.571071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.571071 (E_RNA)
where:
Base-Base interactions energy: -81.657
where: short stacking energy: -34.757
Base-Backbone interact. energy: -0.019
local terms energy: -45.894663
where:
bonds (distance) C4'-P energy: -8.762
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -7.832
tors. eta vs tors. theta energy: -7.704
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: 5
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -92.430482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.430482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.430482 (E_RNA)
where:
Base-Base interactions energy: -48.307
where: short stacking energy: -20.065
Base-Backbone interact. energy: 0.219
local terms energy: -44.342867
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -8.957
flat angles C4'-P-C4' energy: -7.921
flat angles P-C4'-P energy: -9.252
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: 7, replica: 8
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -89.789958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.789958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.789958 (E_RNA)
where:
Base-Base interactions energy: -40.778
where: short stacking energy: -33.171
Base-Backbone interact. energy: -0.051
local terms energy: -48.960953
where:
bonds (distance) C4'-P energy: -10.945
bonds (distance) P-C4' energy: -9.109
flat angles C4'-P-C4' energy: -10.351
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -8.604
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: 7
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -59.673935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.673935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.673935 (E_RNA)
where:
Base-Base interactions energy: -23.359
where: short stacking energy: -16.088
Base-Backbone interact. energy: -0.149
local terms energy: -36.165848
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -6.834
flat angles C4'-P-C4' energy: -10.488
flat angles P-C4'-P energy: -5.294
tors. eta vs tors. theta energy: -1.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -59.559471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.559471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.559471 (E_RNA)
where:
Base-Base interactions energy: -29.741
where: short stacking energy: -18.983
Base-Backbone interact. energy: -0.284
local terms energy: -29.534802
where:
bonds (distance) C4'-P energy: -8.607
bonds (distance) P-C4' energy: -6.803
flat angles C4'-P-C4' energy: -6.105
flat angles P-C4'-P energy: -4.523
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: 10, replica: 3
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -53.187560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.187560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.187560 (E_RNA)
where:
Base-Base interactions energy: -13.047
where: short stacking energy: -12.572
Base-Backbone interact. energy: -0.248
local terms energy: -39.892276
where:
bonds (distance) C4'-P energy: -8.192
bonds (distance) P-C4' energy: -10.318
flat angles C4'-P-C4' energy: -12.365
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: 0.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -152.089215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.089215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.089215 (E_RNA)
where:
Base-Base interactions energy: -100.747
where: short stacking energy: -47.447
Base-Backbone interact. energy: 0.189
local terms energy: -51.531126
where:
bonds (distance) C4'-P energy: -9.531
bonds (distance) P-C4' energy: -11.418
flat angles C4'-P-C4' energy: -11.456
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: -11.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -153.302838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.302838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.302838 (E_RNA)
where:
Base-Base interactions energy: -103.041
where: short stacking energy: -37.357
Base-Backbone interact. energy: -0.015
local terms energy: -50.246737
where:
bonds (distance) C4'-P energy: -12.656
bonds (distance) P-C4' energy: -10.436
flat angles C4'-P-C4' energy: -7.775
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: -11.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -144.652393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.652393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.652393 (E_RNA)
where:
Base-Base interactions energy: -92.808
where: short stacking energy: -35.679
Base-Backbone interact. energy: -0.003
local terms energy: -51.840521
where:
bonds (distance) C4'-P energy: -10.206
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -11.749
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -9.320
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: 4, replica: 9
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -148.879584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.879584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.879584 (E_RNA)
where:
Base-Base interactions energy: -96.150
where: short stacking energy: -36.019
Base-Backbone interact. energy: -0.439
local terms energy: -52.290654
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -12.743
flat angles C4'-P-C4' energy: -10.968
flat angles P-C4'-P energy: -5.922
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: 10
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -128.900971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.900971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.900971 (E_RNA)
where:
Base-Base interactions energy: -79.767
where: short stacking energy: -35.214
Base-Backbone interact. energy: -0.005
local terms energy: -49.128979
where:
bonds (distance) C4'-P energy: -9.294
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -11.042
flat angles P-C4'-P energy: -6.448
tors. eta vs tors. theta energy: -9.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -75.710211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.710211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.710211 (E_RNA)
where:
Base-Base interactions energy: -29.068
where: short stacking energy: -27.212
Base-Backbone interact. energy: -0.276
local terms energy: -46.366434
where:
bonds (distance) C4'-P energy: -9.728
bonds (distance) P-C4' energy: -10.622
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -5.235
tors. eta vs tors. theta energy: -7.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -83.323833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.323833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.323833 (E_RNA)
where:
Base-Base interactions energy: -44.528
where: short stacking energy: -20.860
Base-Backbone interact. energy: -0.407
local terms energy: -38.388619
where:
bonds (distance) C4'-P energy: -10.321
bonds (distance) P-C4' energy: -11.610
flat angles C4'-P-C4' energy: -7.078
flat angles P-C4'-P energy: -6.014
tors. eta vs tors. theta energy: -3.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -73.257061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.257061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.257061 (E_RNA)
where:
Base-Base interactions energy: -24.206
where: short stacking energy: -20.709
Base-Backbone interact. energy: -0.030
local terms energy: -49.020944
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -12.089
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -6.339
tors. eta vs tors. theta energy: -5.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -56.668917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.668917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.668917 (E_RNA)
where:
Base-Base interactions energy: -25.562
where: short stacking energy: -16.756
Base-Backbone interact. energy: -0.202
local terms energy: -30.905810
where:
bonds (distance) C4'-P energy: -4.726
bonds (distance) P-C4' energy: -11.777
flat angles C4'-P-C4' energy: -7.632
flat angles P-C4'-P energy: -7.809
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: 3
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -58.786661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.786661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.786661 (E_RNA)
where:
Base-Base interactions energy: -24.616
where: short stacking energy: -10.874
Base-Backbone interact. energy: -0.034
local terms energy: -34.136641
where:
bonds (distance) C4'-P energy: -9.676
bonds (distance) P-C4' energy: -10.509
flat angles C4'-P-C4' energy: -5.228
flat angles P-C4'-P energy: -6.133
tors. eta vs tors. theta energy: -2.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -157.570472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.570472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.570472 (E_RNA)
where:
Base-Base interactions energy: -98.583
where: short stacking energy: -42.583
Base-Backbone interact. energy: 0.063
local terms energy: -59.050791
where:
bonds (distance) C4'-P energy: -12.200
bonds (distance) P-C4' energy: -11.356
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -8.489
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: 2, replica: 6
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -152.923368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.923368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.923368 (E_RNA)
where:
Base-Base interactions energy: -99.416
where: short stacking energy: -42.935
Base-Backbone interact. energy: -0.069
local terms energy: -53.438175
where:
bonds (distance) C4'-P energy: -11.062
bonds (distance) P-C4' energy: -9.992
flat angles C4'-P-C4' energy: -10.761
flat angles P-C4'-P energy: -6.314
tors. eta vs tors. theta energy: -15.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -143.424005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.424005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.424005 (E_RNA)
where:
Base-Base interactions energy: -87.529
where: short stacking energy: -37.176
Base-Backbone interact. energy: -0.262
local terms energy: -55.632859
where:
bonds (distance) C4'-P energy: -11.488
bonds (distance) P-C4' energy: -11.040
flat angles C4'-P-C4' energy: -12.323
flat angles P-C4'-P energy: -5.477
tors. eta vs tors. theta energy: -15.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -141.734500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.734500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.734500 (E_RNA)
where:
Base-Base interactions energy: -85.455
where: short stacking energy: -32.378
Base-Backbone interact. energy: -0.092
local terms energy: -56.187851
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -4.468
tors. eta vs tors. theta energy: -14.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -138.485466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.485466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.485466 (E_RNA)
where:
Base-Base interactions energy: -91.882
where: short stacking energy: -41.520
Base-Backbone interact. energy: -0.005
local terms energy: -46.598933
where:
bonds (distance) C4'-P energy: -7.795
bonds (distance) P-C4' energy: -9.286
flat angles C4'-P-C4' energy: -11.847
flat angles P-C4'-P energy: -6.315
tors. eta vs tors. theta energy: -11.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -70.940012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.940012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.940012 (E_RNA)
where:
Base-Base interactions energy: -23.443
where: short stacking energy: -23.443
Base-Backbone interact. energy: -0.136
local terms energy: -47.361224
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -10.162
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -5.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -69.084108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.084108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.084108 (E_RNA)
where:
Base-Base interactions energy: -26.735
where: short stacking energy: -24.274
Base-Backbone interact. energy: -0.417
local terms energy: -41.932522
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -8.697
flat angles C4'-P-C4' energy: -10.736
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -1.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -79.043380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.043380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.043380 (E_RNA)
where:
Base-Base interactions energy: -35.740
where: short stacking energy: -16.319
Base-Backbone interact. energy: -0.400
local terms energy: -42.903169
where:
bonds (distance) C4'-P energy: -9.969
bonds (distance) P-C4' energy: -12.338
flat angles C4'-P-C4' energy: -11.446
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -0.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -62.414587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.414587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.414587 (E_RNA)
where:
Base-Base interactions energy: -18.869
where: short stacking energy: -9.855
Base-Backbone interact. energy: 0.389
local terms energy: -43.934021
where:
bonds (distance) C4'-P energy: -9.161
bonds (distance) P-C4' energy: -11.722
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -4.752
tors. eta vs tors. theta energy: -4.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -63.564714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.564714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.564714 (E_RNA)
where:
Base-Base interactions energy: -31.805
where: short stacking energy: -13.740
Base-Backbone interact. energy: -0.193
local terms energy: -31.566456
where:
bonds (distance) C4'-P energy: -10.172
bonds (distance) P-C4' energy: -7.853
flat angles C4'-P-C4' energy: -7.636
flat angles P-C4'-P energy: -5.090
tors. eta vs tors. theta energy: -0.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -151.587471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.587471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.587471 (E_RNA)
where:
Base-Base interactions energy: -95.056
where: short stacking energy: -38.445
Base-Backbone interact. energy: -0.002
local terms energy: -56.529060
where:
bonds (distance) C4'-P energy: -9.195
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -10.901
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -14.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -154.839745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.839745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.839745 (E_RNA)
where:
Base-Base interactions energy: -100.012
where: short stacking energy: -38.570
Base-Backbone interact. energy: -0.109
local terms energy: -54.718632
where:
bonds (distance) C4'-P energy: -12.072
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -10.685
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -10.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -153.178852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.178852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.178852 (E_RNA)
where:
Base-Base interactions energy: -103.660
where: short stacking energy: -35.755
Base-Backbone interact. energy: -0.093
local terms energy: -49.425284
where:
bonds (distance) C4'-P energy: -11.029
bonds (distance) P-C4' energy: -12.262
flat angles C4'-P-C4' energy: -10.761
flat angles P-C4'-P energy: -7.073
tors. eta vs tors. theta energy: -8.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -142.180986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.180986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.180986 (E_RNA)
where:
Base-Base interactions energy: -88.118
where: short stacking energy: -37.333
Base-Backbone interact. energy: -0.073
local terms energy: -53.989654
where:
bonds (distance) C4'-P energy: -11.214
bonds (distance) P-C4' energy: -10.314
flat angles C4'-P-C4' energy: -10.213
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -11.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -130.409574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.409574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.409574 (E_RNA)
where:
Base-Base interactions energy: -77.387
where: short stacking energy: -34.262
Base-Backbone interact. energy: -1.182
local terms energy: -51.841300
where:
bonds (distance) C4'-P energy: -12.714
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -8.032
flat angles P-C4'-P energy: -6.241
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: 6, replica: 2
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -81.645042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.645042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.645042 (E_RNA)
where:
Base-Base interactions energy: -44.162
where: short stacking energy: -15.900
Base-Backbone interact. energy: -0.174
local terms energy: -37.309235
where:
bonds (distance) C4'-P energy: -7.379
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: 4.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -66.196250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.196250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.196250 (E_RNA)
where:
Base-Base interactions energy: -17.599
where: short stacking energy: -17.599
Base-Backbone interact. energy: -0.023
local terms energy: -48.574292
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -6.776
flat angles P-C4'-P energy: -9.609
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: 3
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -68.673174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.673174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.673174 (E_RNA)
where:
Base-Base interactions energy: -23.180
where: short stacking energy: -23.028
Base-Backbone interact. energy: -0.128
local terms energy: -45.365523
where:
bonds (distance) C4'-P energy: -9.551
bonds (distance) P-C4' energy: -12.668
flat angles C4'-P-C4' energy: -8.014
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: -7.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -54.805791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.805791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.805791 (E_RNA)
where:
Base-Base interactions energy: -16.042
where: short stacking energy: -15.615
Base-Backbone interact. energy: -0.136
local terms energy: -38.627292
where:
bonds (distance) C4'-P energy: -5.702
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -10.399
flat angles P-C4'-P energy: -7.380
tors. eta vs tors. theta energy: -3.587
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: 7
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -52.267339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.267339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.267339 (E_RNA)
where:
Base-Base interactions energy: -20.207
where: short stacking energy: -11.611
Base-Backbone interact. energy: -0.211
local terms energy: -31.848753
where:
bonds (distance) C4'-P energy: -7.485
bonds (distance) P-C4' energy: -10.507
flat angles C4'-P-C4' energy: -7.892
flat angles P-C4'-P energy: -6.322
tors. eta vs tors. theta energy: 0.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -151.355812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.355812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.355812 (E_RNA)
where:
Base-Base interactions energy: -94.791
where: short stacking energy: -37.777
Base-Backbone interact. energy: -0.044
local terms energy: -56.520740
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -10.899
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -9.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -145.551310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.551310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.551310 (E_RNA)
where:
Base-Base interactions energy: -92.309
where: short stacking energy: -39.058
Base-Backbone interact. energy: -0.188
local terms energy: -53.054972
where:
bonds (distance) C4'-P energy: -10.031
bonds (distance) P-C4' energy: -11.332
flat angles C4'-P-C4' energy: -11.788
flat angles P-C4'-P energy: -5.601
tors. eta vs tors. theta energy: -14.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -148.783121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.783121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.783121 (E_RNA)
where:
Base-Base interactions energy: -101.827
where: short stacking energy: -41.315
Base-Backbone interact. energy: -0.009
local terms energy: -46.946821
where:
bonds (distance) C4'-P energy: -8.794
bonds (distance) P-C4' energy: -11.272
flat angles C4'-P-C4' energy: -10.170
flat angles P-C4'-P energy: -7.296
tors. eta vs tors. theta energy: -9.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -136.988758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.988758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.988758 (E_RNA)
where:
Base-Base interactions energy: -79.834
where: short stacking energy: -38.607
Base-Backbone interact. energy: -0.242
local terms energy: -56.912859
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -5.051
tors. eta vs tors. theta energy: -12.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -147.082116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.082116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.082116 (E_RNA)
where:
Base-Base interactions energy: -92.792
where: short stacking energy: -28.443
Base-Backbone interact. energy: -0.765
local terms energy: -53.525087
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -9.715
flat angles C4'-P-C4' energy: -11.503
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -10.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -71.972324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.972324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.972324 (E_RNA)
where:
Base-Base interactions energy: -28.655
where: short stacking energy: -27.601
Base-Backbone interact. energy: -2.934
local terms energy: -40.383777
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -9.032
flat angles C4'-P-C4' energy: -4.876
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: -6.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -75.184129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.184129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.184129 (E_RNA)
where:
Base-Base interactions energy: -29.003
where: short stacking energy: -29.003
Base-Backbone interact. energy: -0.161
local terms energy: -46.019999
where:
bonds (distance) C4'-P energy: -9.285
bonds (distance) P-C4' energy: -11.183
flat angles C4'-P-C4' energy: -10.350
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -6.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -64.981319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.981319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.981319 (E_RNA)
where:
Base-Base interactions energy: -29.707
where: short stacking energy: -7.096
Base-Backbone interact. energy: -0.662
local terms energy: -34.612183
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -3.088
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: 2.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -58.813578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.813578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.813578 (E_RNA)
where:
Base-Base interactions energy: -17.782
where: short stacking energy: -17.782
Base-Backbone interact. energy: -0.088
local terms energy: -40.943362
where:
bonds (distance) C4'-P energy: -10.730
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -9.298
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: 0.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -52.731583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.731583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.731583 (E_RNA)
where:
Base-Base interactions energy: -19.631
where: short stacking energy: -4.852
Base-Backbone interact. energy: -0.237
local terms energy: -32.863531
where:
bonds (distance) C4'-P energy: -12.436
bonds (distance) P-C4' energy: -12.724
flat angles C4'-P-C4' energy: -6.692
flat angles P-C4'-P energy: -6.136
tors. eta vs tors. theta energy: 5.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -147.333806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.333806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.333806 (E_RNA)
where:
Base-Base interactions energy: -93.555
where: short stacking energy: -39.106
Base-Backbone interact. energy: -0.400
local terms energy: -53.378856
where:
bonds (distance) C4'-P energy: -10.793
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -6.795
tors. eta vs tors. theta energy: -10.722
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: 4
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -144.629837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.629837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.629837 (E_RNA)
where:
Base-Base interactions energy: -91.064
where: short stacking energy: -39.928
Base-Backbone interact. energy: 0.623
local terms energy: -54.188974
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -11.035
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: -10.064
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: 3, replica: 6
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -151.555542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.555542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.555542 (E_RNA)
where:
Base-Base interactions energy: -101.245
where: short stacking energy: -27.841
Base-Backbone interact. energy: -0.008
local terms energy: -50.302196
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -11.081
flat angles C4'-P-C4' energy: -10.924
flat angles P-C4'-P energy: -4.392
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: 4, replica: 10
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -141.960163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.960163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.960163 (E_RNA)
where:
Base-Base interactions energy: -85.626
where: short stacking energy: -33.614
Base-Backbone interact. energy: -0.002
local terms energy: -56.331462
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -13.115
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -12.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -127.513946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.513946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.513946 (E_RNA)
where:
Base-Base interactions energy: -84.223
where: short stacking energy: -26.656
Base-Backbone interact. energy: -0.006
local terms energy: -43.284162
where:
bonds (distance) C4'-P energy: -6.538
bonds (distance) P-C4' energy: -12.068
flat angles C4'-P-C4' energy: -9.123
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: -7.570
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: 239
Temperature: 1.150000
Total energy: -71.730494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.730494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.730494 (E_RNA)
where:
Base-Base interactions energy: -28.997
where: short stacking energy: -20.150
Base-Backbone interact. energy: 0.661
local terms energy: -43.394313
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -8.325
flat angles C4'-P-C4' energy: -8.456
flat angles P-C4'-P energy: -9.241
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: 7, replica: 2
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -66.063040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.063040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.063040 (E_RNA)
where:
Base-Base interactions energy: -20.451
where: short stacking energy: -12.903
Base-Backbone interact. energy: -0.084
local terms energy: -45.528304
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -11.331
flat angles P-C4'-P energy: -5.224
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: 8, replica: 5
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -66.092036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.092036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.092036 (E_RNA)
where:
Base-Base interactions energy: -27.730
where: short stacking energy: -14.861
Base-Backbone interact. energy: -0.163
local terms energy: -38.198946
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -11.570
flat angles C4'-P-C4' energy: -8.909
flat angles P-C4'-P energy: -3.902
tors. eta vs tors. theta energy: -2.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -72.581490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.581490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.581490 (E_RNA)
where:
Base-Base interactions energy: -39.300
where: short stacking energy: -11.882
Base-Backbone interact. energy: -0.354
local terms energy: -32.926640
where:
bonds (distance) C4'-P energy: -10.420
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -6.606
flat angles P-C4'-P energy: -5.355
tors. eta vs tors. theta energy: 1.901
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: 7
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -51.563142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.563142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.563142 (E_RNA)
where:
Base-Base interactions energy: -18.871
where: short stacking energy: -12.475
Base-Backbone interact. energy: -0.041
local terms energy: -32.651581
where:
bonds (distance) C4'-P energy: -10.858
bonds (distance) P-C4' energy: -8.187
flat angles C4'-P-C4' energy: -7.964
flat angles P-C4'-P energy: -7.905
tors. eta vs tors. theta energy: 2.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -151.445884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.445884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.445884 (E_RNA)
where:
Base-Base interactions energy: -98.697
where: short stacking energy: -34.701
Base-Backbone interact. energy: -0.022
local terms energy: -52.726730
where:
bonds (distance) C4'-P energy: -12.776
bonds (distance) P-C4' energy: -9.731
flat angles C4'-P-C4' energy: -10.192
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -10.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -143.187544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.187544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.187544 (E_RNA)
where:
Base-Base interactions energy: -87.482
where: short stacking energy: -37.734
Base-Backbone interact. energy: -1.198
local terms energy: -54.507856
where:
bonds (distance) C4'-P energy: -13.012
bonds (distance) P-C4' energy: -6.546
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -9.759
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: 3, replica: 10
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -140.524371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.524371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.524371 (E_RNA)
where:
Base-Base interactions energy: -87.913
where: short stacking energy: -29.618
Base-Backbone interact. energy: -0.082
local terms energy: -52.528709
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -10.542
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -6.692
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: 4, replica: 6
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -135.779869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.779869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.779869 (E_RNA)
where:
Base-Base interactions energy: -81.497
where: short stacking energy: -27.713
Base-Backbone interact. energy: -0.027
local terms energy: -54.255353
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -14.122
flat angles C4'-P-C4' energy: -10.376
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -10.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -129.572231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.572231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.572231 (E_RNA)
where:
Base-Base interactions energy: -85.234
where: short stacking energy: -33.698
Base-Backbone interact. energy: -0.112
local terms energy: -44.225593
where:
bonds (distance) C4'-P energy: -9.841
bonds (distance) P-C4' energy: -9.428
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -6.418
tors. eta vs tors. theta energy: -7.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -75.174073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.174073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.174073 (E_RNA)
where:
Base-Base interactions energy: -35.746
where: short stacking energy: -13.045
Base-Backbone interact. energy: 0.381
local terms energy: -39.809547
where:
bonds (distance) C4'-P energy: -11.576
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -10.900
flat angles P-C4'-P energy: -4.163
tors. eta vs tors. theta energy: -2.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -67.991415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.991415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.991415 (E_RNA)
where:
Base-Base interactions energy: -28.405
where: short stacking energy: -23.353
Base-Backbone interact. energy: -0.757
local terms energy: -38.829453
where:
bonds (distance) C4'-P energy: -8.358
bonds (distance) P-C4' energy: -8.173
flat angles C4'-P-C4' energy: -11.440
flat angles P-C4'-P energy: -5.278
tors. eta vs tors. theta energy: -5.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -68.324856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.324856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.324856 (E_RNA)
where:
Base-Base interactions energy: -28.775
where: short stacking energy: -23.680
Base-Backbone interact. energy: -0.163
local terms energy: -39.386099
where:
bonds (distance) C4'-P energy: -10.263
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -6.741
flat angles P-C4'-P energy: -7.168
tors. eta vs tors. theta energy: -2.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -59.453362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.453362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.453362 (E_RNA)
where:
Base-Base interactions energy: -12.573
where: short stacking energy: -12.573
Base-Backbone interact. energy: -0.062
local terms energy: -46.818132
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -12.944
flat angles C4'-P-C4' energy: -9.987
flat angles P-C4'-P energy: -6.075
tors. eta vs tors. theta energy: -4.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -57.920462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.920462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.920462 (E_RNA)
where:
Base-Base interactions energy: -14.888
where: short stacking energy: -13.067
Base-Backbone interact. energy: -1.042
local terms energy: -41.990808
where:
bonds (distance) C4'-P energy: -7.418
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -10.251
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -4.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -144.277154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.277154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.277154 (E_RNA)
where:
Base-Base interactions energy: -85.824
where: short stacking energy: -39.353
Base-Backbone interact. energy: -0.091
local terms energy: -58.362055
where:
bonds (distance) C4'-P energy: -11.310
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: -12.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -139.163321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.163321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.163321 (E_RNA)
where:
Base-Base interactions energy: -97.371
where: short stacking energy: -31.911
Base-Backbone interact. energy: -0.575
local terms energy: -41.216488
where:
bonds (distance) C4'-P energy: -10.441
bonds (distance) P-C4' energy: -11.031
flat angles C4'-P-C4' energy: -6.722
flat angles P-C4'-P energy: -7.562
tors. eta vs tors. theta energy: -5.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -133.004163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.004163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.004163 (E_RNA)
where:
Base-Base interactions energy: -81.528
where: short stacking energy: -37.706
Base-Backbone interact. energy: -0.009
local terms energy: -51.466839
where:
bonds (distance) C4'-P energy: -13.769
bonds (distance) P-C4' energy: -10.138
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -3.822
tors. eta vs tors. theta energy: -11.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -126.177143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.177143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.177143 (E_RNA)
where:
Base-Base interactions energy: -81.869
where: short stacking energy: -29.805
Base-Backbone interact. energy: -0.293
local terms energy: -44.015326
where:
bonds (distance) C4'-P energy: -10.014
bonds (distance) P-C4' energy: -9.432
flat angles C4'-P-C4' energy: -11.532
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -3.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -140.139388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.139388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.139388 (E_RNA)
where:
Base-Base interactions energy: -97.371
where: short stacking energy: -46.413
Base-Backbone interact. energy: -0.115
local terms energy: -42.654178
where:
bonds (distance) C4'-P energy: -11.087
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -5.007
flat angles P-C4'-P energy: -1.607
tors. eta vs tors. theta energy: -12.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -65.041355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.041355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.041355 (E_RNA)
where:
Base-Base interactions energy: -25.396
where: short stacking energy: -18.127
Base-Backbone interact. energy: -0.271
local terms energy: -39.373637
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -9.157
flat angles C4'-P-C4' energy: -10.291
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: 0.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -63.950227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.950227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.950227 (E_RNA)
where:
Base-Base interactions energy: -22.819
where: short stacking energy: -18.917
Base-Backbone interact. energy: -0.736
local terms energy: -40.395684
where:
bonds (distance) C4'-P energy: -7.543
bonds (distance) P-C4' energy: -9.321
flat angles C4'-P-C4' energy: -11.777
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -2.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -61.269105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.269105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.269105 (E_RNA)
where:
Base-Base interactions energy: -21.682
where: short stacking energy: -20.550
Base-Backbone interact. energy: -0.241
local terms energy: -39.346092
where:
bonds (distance) C4'-P energy: -8.855
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -9.380
flat angles P-C4'-P energy: -6.683
tors. eta vs tors. theta energy: -1.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -60.680553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.680553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.680553 (E_RNA)
where:
Base-Base interactions energy: -16.659
where: short stacking energy: -16.659
Base-Backbone interact. energy: -0.660
local terms energy: -43.361370
where:
bonds (distance) C4'-P energy: -9.833
bonds (distance) P-C4' energy: -11.461
flat angles C4'-P-C4' energy: -10.818
flat angles P-C4'-P energy: -6.873
tors. eta vs tors. theta energy: -4.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -55.240794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.240794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.240794 (E_RNA)
where:
Base-Base interactions energy: -20.758
where: short stacking energy: -19.567
Base-Backbone interact. energy: -0.063
local terms energy: -34.419681
where:
bonds (distance) C4'-P energy: -9.526
bonds (distance) P-C4' energy: -9.440
flat angles C4'-P-C4' energy: -9.827
flat angles P-C4'-P energy: -2.805
tors. eta vs tors. theta energy: -2.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -136.324958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.324958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.324958 (E_RNA)
where:
Base-Base interactions energy: -77.980
where: short stacking energy: -32.175
Base-Backbone interact. energy: -0.005
local terms energy: -58.339399
where:
bonds (distance) C4'-P energy: -14.403
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -7.108
tors. eta vs tors. theta energy: -11.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -143.973468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.973468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.973468 (E_RNA)
where:
Base-Base interactions energy: -88.728
where: short stacking energy: -42.627
Base-Backbone interact. energy: -0.192
local terms energy: -55.053323
where:
bonds (distance) C4'-P energy: -12.892
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -10.308
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -11.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -131.497451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.497451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.497451 (E_RNA)
where:
Base-Base interactions energy: -79.025
where: short stacking energy: -31.716
Base-Backbone interact. energy: -0.195
local terms energy: -52.277833
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -5.859
flat angles P-C4'-P energy: -9.808
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: 4, replica: 1
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -135.576892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.576892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.576892 (E_RNA)
where:
Base-Base interactions energy: -82.082
where: short stacking energy: -38.113
Base-Backbone interact. energy: 1.651
local terms energy: -55.146554
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -12.942
flat angles C4'-P-C4' energy: -10.084
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -11.124
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: 242
Temperature: 1.100000
Total energy: -125.198464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.198464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.198464 (E_RNA)
where:
Base-Base interactions energy: -77.957
where: short stacking energy: -23.629
Base-Backbone interact. energy: -0.034
local terms energy: -47.206705
where:
bonds (distance) C4'-P energy: -11.124
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -10.225
flat angles P-C4'-P energy: -6.326
tors. eta vs tors. theta energy: -5.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -72.998657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.998657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.998657 (E_RNA)
where:
Base-Base interactions energy: -27.076
where: short stacking energy: -26.411
Base-Backbone interact. energy: 0.804
local terms energy: -46.726573
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -9.874
flat angles P-C4'-P energy: -5.851
tors. eta vs tors. theta energy: -6.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -67.061207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.061207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.061207 (E_RNA)
where:
Base-Base interactions energy: -19.540
where: short stacking energy: -19.540
Base-Backbone interact. energy: -0.018
local terms energy: -47.502654
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -11.568
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: -3.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -62.865893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.865893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.865893 (E_RNA)
where:
Base-Base interactions energy: -19.057
where: short stacking energy: -16.636
Base-Backbone interact. energy: -0.163
local terms energy: -43.645625
where:
bonds (distance) C4'-P energy: -10.367
bonds (distance) P-C4' energy: -10.274
flat angles C4'-P-C4' energy: -11.695
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -2.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -65.290080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.290080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.290080 (E_RNA)
where:
Base-Base interactions energy: -35.069
where: short stacking energy: -16.653
Base-Backbone interact. energy: 1.534
local terms energy: -31.755692
where:
bonds (distance) C4'-P energy: -5.821
bonds (distance) P-C4' energy: -13.865
flat angles C4'-P-C4' energy: -6.641
flat angles P-C4'-P energy: -5.359
tors. eta vs tors. theta energy: -0.070
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: 10, replica: 7
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -58.375974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.375974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.375974 (E_RNA)
where:
Base-Base interactions energy: -13.925
where: short stacking energy: -13.925
Base-Backbone interact. energy: -0.011
local terms energy: -44.440549
where:
bonds (distance) C4'-P energy: -9.494
bonds (distance) P-C4' energy: -8.792
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -6.514
tors. eta vs tors. theta energy: -7.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -158.968240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.968240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.968240 (E_RNA)
where:
Base-Base interactions energy: -105.118
where: short stacking energy: -40.951
Base-Backbone interact. energy: -0.431
local terms energy: -53.419765
where:
bonds (distance) C4'-P energy: -9.650
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -4.219
tors. eta vs tors. theta energy: -14.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -144.238702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.238702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.238702 (E_RNA)
where:
Base-Base interactions energy: -94.208
where: short stacking energy: -40.426
Base-Backbone interact. energy: -0.079
local terms energy: -49.952379
where:
bonds (distance) C4'-P energy: -10.867
bonds (distance) P-C4' energy: -11.671
flat angles C4'-P-C4' energy: -8.888
flat angles P-C4'-P energy: -5.390
tors. eta vs tors. theta energy: -13.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -126.832994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.832994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.832994 (E_RNA)
where:
Base-Base interactions energy: -74.203
where: short stacking energy: -31.419
Base-Backbone interact. energy: -0.039
local terms energy: -52.590986
where:
bonds (distance) C4'-P energy: -11.609
bonds (distance) P-C4' energy: -11.314
flat angles C4'-P-C4' energy: -12.415
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -8.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -125.664926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.664926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.664926 (E_RNA)
where:
Base-Base interactions energy: -77.117
where: short stacking energy: -37.429
Base-Backbone interact. energy: -0.121
local terms energy: -48.427550
where:
bonds (distance) C4'-P energy: -7.306
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -9.793
flat angles P-C4'-P energy: -8.500
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: 1
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -144.333393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.333393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.333393 (E_RNA)
where:
Base-Base interactions energy: -95.041
where: short stacking energy: -34.112
Base-Backbone interact. energy: -0.126
local terms energy: -49.167128
where:
bonds (distance) C4'-P energy: -10.474
bonds (distance) P-C4' energy: -11.139
flat angles C4'-P-C4' energy: -10.803
flat angles P-C4'-P energy: -6.534
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: 6, replica: 2
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -78.819185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.819185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.819185 (E_RNA)
where:
Base-Base interactions energy: -33.440
where: short stacking energy: -32.355
Base-Backbone interact. energy: -0.102
local terms energy: -45.277526
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -5.149
flat angles C4'-P-C4' energy: -11.383
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -9.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -80.138058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.138058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.138058 (E_RNA)
where:
Base-Base interactions energy: -42.791
where: short stacking energy: -17.504
Base-Backbone interact. energy: 0.430
local terms energy: -37.777378
where:
bonds (distance) C4'-P energy: -10.499
bonds (distance) P-C4' energy: -8.672
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -3.206
tors. eta vs tors. theta energy: -3.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -76.275406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.275406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.275406 (E_RNA)
where:
Base-Base interactions energy: -31.328
where: short stacking energy: -24.236
Base-Backbone interact. energy: -0.205
local terms energy: -44.742088
where:
bonds (distance) C4'-P energy: -11.186
bonds (distance) P-C4' energy: -11.610
flat angles C4'-P-C4' energy: -10.213
flat angles P-C4'-P energy: -6.957
tors. eta vs tors. theta energy: -4.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -62.031367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.031367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.031367 (E_RNA)
where:
Base-Base interactions energy: -31.885
where: short stacking energy: -12.335
Base-Backbone interact. energy: -0.146
local terms energy: -30.000426
where:
bonds (distance) C4'-P energy: -8.255
bonds (distance) P-C4' energy: -8.047
flat angles C4'-P-C4' energy: -9.572
flat angles P-C4'-P energy: -2.721
tors. eta vs tors. theta energy: -1.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -57.537873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.537873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.537873 (E_RNA)
where:
Base-Base interactions energy: -16.447
where: short stacking energy: -13.880
Base-Backbone interact. energy: 1.553
local terms energy: -42.643606
where:
bonds (distance) C4'-P energy: -12.171
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -8.899
flat angles P-C4'-P energy: -5.877
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: 4
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -137.905880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.905880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.905880 (E_RNA)
where:
Base-Base interactions energy: -83.747
where: short stacking energy: -42.446
Base-Backbone interact. energy: -0.000
local terms energy: -54.158646
where:
bonds (distance) C4'-P energy: -9.319
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: -11.755
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: 10
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -149.639109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.639109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.639109 (E_RNA)
where:
Base-Base interactions energy: -95.062
where: short stacking energy: -37.409
Base-Backbone interact. energy: -0.005
local terms energy: -54.571713
where:
bonds (distance) C4'-P energy: -8.259
bonds (distance) P-C4' energy: -10.957
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -13.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -142.736849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.736849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.736849 (E_RNA)
where:
Base-Base interactions energy: -96.694
where: short stacking energy: -29.972
Base-Backbone interact. energy: -0.118
local terms energy: -45.924566
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -8.806
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -3.795
tors. eta vs tors. theta energy: -8.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -147.825967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.825967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.825967 (E_RNA)
where:
Base-Base interactions energy: -97.368
where: short stacking energy: -33.392
Base-Backbone interact. energy: -0.075
local terms energy: -50.382222
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -9.125
flat angles C4'-P-C4' energy: -10.972
flat angles P-C4'-P energy: -5.991
tors. eta vs tors. theta energy: -11.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -146.075289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.075289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.075289 (E_RNA)
where:
Base-Base interactions energy: -100.788
where: short stacking energy: -31.963
Base-Backbone interact. energy: 0.135
local terms energy: -45.422040
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -7.349
flat angles P-C4'-P energy: -5.047
tors. eta vs tors. theta energy: -8.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -80.420994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.420994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.420994 (E_RNA)
where:
Base-Base interactions energy: -43.760
where: short stacking energy: -17.549
Base-Backbone interact. energy: -0.217
local terms energy: -36.443817
where:
bonds (distance) C4'-P energy: -10.660
bonds (distance) P-C4' energy: -7.572
flat angles C4'-P-C4' energy: -11.726
flat angles P-C4'-P energy: -8.089
tors. eta vs tors. theta energy: 1.604
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: 8
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -76.596711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.596711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.596711 (E_RNA)
where:
Base-Base interactions energy: -33.726
where: short stacking energy: -26.026
Base-Backbone interact. energy: -0.001
local terms energy: -42.869532
where:
bonds (distance) C4'-P energy: -9.170
bonds (distance) P-C4' energy: -9.273
flat angles C4'-P-C4' energy: -9.518
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: -7.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -70.641540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.641540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.641540 (E_RNA)
where:
Base-Base interactions energy: -30.451
where: short stacking energy: -22.243
Base-Backbone interact. energy: -0.513
local terms energy: -39.676847
where:
bonds (distance) C4'-P energy: -10.759
bonds (distance) P-C4' energy: -7.349
flat angles C4'-P-C4' energy: -7.616
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -5.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -61.449969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.449969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.449969 (E_RNA)
where:
Base-Base interactions energy: -15.264
where: short stacking energy: -15.264
Base-Backbone interact. energy: -0.007
local terms energy: -46.178421
where:
bonds (distance) C4'-P energy: -11.613
bonds (distance) P-C4' energy: -12.731
flat angles C4'-P-C4' energy: -12.239
flat angles P-C4'-P energy: -4.698
tors. eta vs tors. theta energy: -4.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -57.762351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.762351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.762351 (E_RNA)
where:
Base-Base interactions energy: -15.268
where: short stacking energy: -14.768
Base-Backbone interact. energy: -0.205
local terms energy: -42.289144
where:
bonds (distance) C4'-P energy: -10.529
bonds (distance) P-C4' energy: -10.840
flat angles C4'-P-C4' energy: -11.656
flat angles P-C4'-P energy: -4.505
tors. eta vs tors. theta energy: -4.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -150.434079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.434079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.434079 (E_RNA)
where:
Base-Base interactions energy: -91.971
where: short stacking energy: -42.208
Base-Backbone interact. energy: -0.096
local terms energy: -58.366752
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -11.873
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -7.840
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: 2, replica: 6
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -148.752438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.752438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.752438 (E_RNA)
where:
Base-Base interactions energy: -99.580
where: short stacking energy: -37.224
Base-Backbone interact. energy: 0.142
local terms energy: -49.314557
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -11.722
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -5.418
tors. eta vs tors. theta energy: -7.184
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: 10
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -140.685644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.685644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.685644 (E_RNA)
where:
Base-Base interactions energy: -94.401
where: short stacking energy: -37.278
Base-Backbone interact. energy: -0.328
local terms energy: -45.956622
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -11.126
flat angles C4'-P-C4' energy: -9.275
flat angles P-C4'-P energy: -4.220
tors. eta vs tors. theta energy: -9.378
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: 4, replica: 9
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -137.495051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.495051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.495051 (E_RNA)
where:
Base-Base interactions energy: -80.387
where: short stacking energy: -36.774
Base-Backbone interact. energy: -0.098
local terms energy: -57.009638
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -11.266
flat angles P-C4'-P energy: -6.967
tors. eta vs tors. theta energy: -13.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -134.314756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.314756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.314756 (E_RNA)
where:
Base-Base interactions energy: -81.056
where: short stacking energy: -36.277
Base-Backbone interact. energy: -0.002
local terms energy: -53.257358
where:
bonds (distance) C4'-P energy: -14.187
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -11.459
flat angles P-C4'-P energy: -6.530
tors. eta vs tors. theta energy: -9.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -66.682970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.682970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.682970 (E_RNA)
where:
Base-Base interactions energy: -27.787
where: short stacking energy: -14.290
Base-Backbone interact. energy: -0.083
local terms energy: -38.813793
where:
bonds (distance) C4'-P energy: -11.609
bonds (distance) P-C4' energy: -11.018
flat angles C4'-P-C4' energy: -6.400
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: -1.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -78.642630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.642630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.642630 (E_RNA)
where:
Base-Base interactions energy: -33.728
where: short stacking energy: -17.841
Base-Backbone interact. energy: 1.087
local terms energy: -46.001821
where:
bonds (distance) C4'-P energy: -10.967
bonds (distance) P-C4' energy: -13.090
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -7.499
tors. eta vs tors. theta energy: -2.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -63.593518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.593518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.593518 (E_RNA)
where:
Base-Base interactions energy: -21.054
where: short stacking energy: -9.203
Base-Backbone interact. energy: -1.465
local terms energy: -41.074167
where:
bonds (distance) C4'-P energy: -10.954
bonds (distance) P-C4' energy: -11.712
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -2.656
tors. eta vs tors. theta energy: -3.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -63.782150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.782150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.782150 (E_RNA)
where:
Base-Base interactions energy: -25.629
where: short stacking energy: -14.244
Base-Backbone interact. energy: -0.144
local terms energy: -38.008953
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -6.412
flat angles P-C4'-P energy: -6.807
tors. eta vs tors. theta energy: 1.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -53.920911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.920911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.920911 (E_RNA)
where:
Base-Base interactions energy: -17.223
where: short stacking energy: -16.915
Base-Backbone interact. energy: -0.094
local terms energy: -36.603867
where:
bonds (distance) C4'-P energy: -8.051
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -7.205
flat angles P-C4'-P energy: -6.024
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: 246
Temperature: 0.900000
Total energy: -145.932021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.932021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.932021 (E_RNA)
where:
Base-Base interactions energy: -97.567
where: short stacking energy: -38.598
Base-Backbone interact. energy: -0.016
local terms energy: -48.349376
where:
bonds (distance) C4'-P energy: -11.185
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -11.366
flat angles P-C4'-P energy: -3.778
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: 2, replica: 4
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -152.795127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.795127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.795127 (E_RNA)
where:
Base-Base interactions energy: -98.788
where: short stacking energy: -41.381
Base-Backbone interact. energy: -0.218
local terms energy: -53.788797
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -11.092
flat angles P-C4'-P energy: -5.160
tors. eta vs tors. theta energy: -13.201
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: 246
Temperature: 1.000000
Total energy: -144.938978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.938978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.938978 (E_RNA)
where:
Base-Base interactions energy: -97.783
where: short stacking energy: -44.415
Base-Backbone interact. energy: -0.005
local terms energy: -47.151812
where:
bonds (distance) C4'-P energy: -5.189
bonds (distance) P-C4' energy: -10.900
flat angles C4'-P-C4' energy: -9.757
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -12.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -142.626442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.626442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.626442 (E_RNA)
where:
Base-Base interactions energy: -95.467
where: short stacking energy: -37.792
Base-Backbone interact. energy: -0.718
local terms energy: -46.441497
where:
bonds (distance) C4'-P energy: -8.400
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -2.783
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: 5, replica: 1
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -134.646864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.646864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.646864 (E_RNA)
where:
Base-Base interactions energy: -82.827
where: short stacking energy: -37.937
Base-Backbone interact. energy: -0.000
local terms energy: -51.819549
where:
bonds (distance) C4'-P energy: -10.820
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -10.267
flat angles P-C4'-P energy: -6.457
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: 6, replica: 8
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -68.748449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.748449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.748449 (E_RNA)
where:
Base-Base interactions energy: -30.513
where: short stacking energy: -15.496
Base-Backbone interact. energy: -0.797
local terms energy: -37.439210
where:
bonds (distance) C4'-P energy: -9.536
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -9.076
flat angles P-C4'-P energy: -7.642
tors. eta vs tors. theta energy: 1.931
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: 7
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -65.545004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.545004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.545004 (E_RNA)
where:
Base-Base interactions energy: -31.186
where: short stacking energy: -23.719
Base-Backbone interact. energy: -0.296
local terms energy: -34.062960
where:
bonds (distance) C4'-P energy: -1.454
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -4.212
flat angles P-C4'-P energy: -8.176
tors. eta vs tors. theta energy: -6.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -70.594393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.594393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.594393 (E_RNA)
where:
Base-Base interactions energy: -25.090
where: short stacking energy: -25.090
Base-Backbone interact. energy: -0.043
local terms energy: -45.461710
where:
bonds (distance) C4'-P energy: -12.056
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -7.775
flat angles P-C4'-P energy: -5.613
tors. eta vs tors. theta energy: -6.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -65.803493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.803493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.803493 (E_RNA)
where:
Base-Base interactions energy: -25.220
where: short stacking energy: -24.155
Base-Backbone interact. energy: -0.309
local terms energy: -40.273972
where:
bonds (distance) C4'-P energy: -10.908
bonds (distance) P-C4' energy: -9.418
flat angles C4'-P-C4' energy: -8.703
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -3.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -77.087010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.087010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.087010 (E_RNA)
where:
Base-Base interactions energy: -43.155
where: short stacking energy: -16.536
Base-Backbone interact. energy: -0.193
local terms energy: -33.739241
where:
bonds (distance) C4'-P energy: -5.859
bonds (distance) P-C4' energy: -10.211
flat angles C4'-P-C4' energy: -7.087
flat angles P-C4'-P energy: -5.407
tors. eta vs tors. theta energy: -5.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -155.298273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.298273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.298273 (E_RNA)
where:
Base-Base interactions energy: -101.797
where: short stacking energy: -41.453
Base-Backbone interact. energy: -0.014
local terms energy: -53.487813
where:
bonds (distance) C4'-P energy: -10.983
bonds (distance) P-C4' energy: -10.630
flat angles C4'-P-C4' energy: -12.125
flat angles P-C4'-P energy: -5.023
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: 2, replica: 4
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -146.511582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.511582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.511582 (E_RNA)
where:
Base-Base interactions energy: -96.143
where: short stacking energy: -34.930
Base-Backbone interact. energy: -0.004
local terms energy: -50.365304
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -9.595
flat angles C4'-P-C4' energy: -9.797
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -10.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -138.184435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.184435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.184435 (E_RNA)
where:
Base-Base interactions energy: -80.999
where: short stacking energy: -35.822
Base-Backbone interact. energy: -0.119
local terms energy: -57.065835
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -11.730
flat angles C4'-P-C4' energy: -11.059
flat angles P-C4'-P energy: -8.919
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: 4, replica: 9
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -134.385785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.385785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.385785 (E_RNA)
where:
Base-Base interactions energy: -85.822
where: short stacking energy: -33.944
Base-Backbone interact. energy: -0.053
local terms energy: -48.510712
where:
bonds (distance) C4'-P energy: -9.606
bonds (distance) P-C4' energy: -11.644
flat angles C4'-P-C4' energy: -10.568
flat angles P-C4'-P energy: -8.038
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: 5, replica: 1
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -136.843972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.843972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.843972 (E_RNA)
where:
Base-Base interactions energy: -92.786
where: short stacking energy: -35.380
Base-Backbone interact. energy: 0.417
local terms energy: -44.474913
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -11.575
flat angles C4'-P-C4' energy: -9.831
flat angles P-C4'-P energy: -3.836
tors. eta vs tors. theta energy: -7.808
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: 7
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -76.796911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.796911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.796911 (E_RNA)
where:
Base-Base interactions energy: -37.925
where: short stacking energy: -15.057
Base-Backbone interact. energy: -0.201
local terms energy: -38.671579
where:
bonds (distance) C4'-P energy: -6.951
bonds (distance) P-C4' energy: -9.541
flat angles C4'-P-C4' energy: -11.344
flat angles P-C4'-P energy: -6.386
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: 7, replica: 8
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -77.957259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.957259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.957259 (E_RNA)
where:
Base-Base interactions energy: -41.624
where: short stacking energy: -20.041
Base-Backbone interact. energy: -0.238
local terms energy: -36.094704
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -11.401
flat angles C4'-P-C4' energy: -10.641
flat angles P-C4'-P energy: -4.557
tors. eta vs tors. theta energy: 2.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -67.786713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.786713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.786713 (E_RNA)
where:
Base-Base interactions energy: -29.690
where: short stacking energy: -17.058
Base-Backbone interact. energy: -1.845
local terms energy: -36.251576
where:
bonds (distance) C4'-P energy: -8.180
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -9.157
flat angles P-C4'-P energy: -4.872
tors. eta vs tors. theta energy: -1.113
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: 3
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -63.994530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.994530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.994530 (E_RNA)
where:
Base-Base interactions energy: -22.898
where: short stacking energy: -17.895
Base-Backbone interact. energy: -0.008
local terms energy: -41.088701
where:
bonds (distance) C4'-P energy: -10.858
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -4.355
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -5.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -56.135225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.135225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.135225 (E_RNA)
where:
Base-Base interactions energy: -24.355
where: short stacking energy: -24.355
Base-Backbone interact. energy: -0.009
local terms energy: -31.771632
where:
bonds (distance) C4'-P energy: -7.601
bonds (distance) P-C4' energy: -8.936
flat angles C4'-P-C4' energy: -7.232
flat angles P-C4'-P energy: -4.958
tors. eta vs tors. theta energy: -3.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -142.077023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.077023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.077023 (E_RNA)
where:
Base-Base interactions energy: -91.226
where: short stacking energy: -40.696
Base-Backbone interact. energy: -0.039
local terms energy: -50.812310
where:
bonds (distance) C4'-P energy: -13.397
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -9.633
flat angles P-C4'-P energy: -5.889
tors. eta vs tors. theta energy: -9.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -144.144861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.144861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.144861 (E_RNA)
where:
Base-Base interactions energy: -92.342
where: short stacking energy: -29.787
Base-Backbone interact. energy: -0.785
local terms energy: -51.018154
where:
bonds (distance) C4'-P energy: -11.414
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -6.285
tors. eta vs tors. theta energy: -8.027
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: 3, replica: 9
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -134.718506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.718506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.718506 (E_RNA)
where:
Base-Base interactions energy: -82.447
where: short stacking energy: -42.251
Base-Backbone interact. energy: 0.153
local terms energy: -52.424836
where:
bonds (distance) C4'-P energy: -5.424
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -10.290
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -14.100
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: 10
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -129.514213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.514213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.514213 (E_RNA)
where:
Base-Base interactions energy: -84.391
where: short stacking energy: -37.320
Base-Backbone interact. energy: -0.023
local terms energy: -45.099871
where:
bonds (distance) C4'-P energy: -8.574
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -10.209
flat angles P-C4'-P energy: -5.169
tors. eta vs tors. theta energy: -10.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -129.859894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.859894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.859894 (E_RNA)
where:
Base-Base interactions energy: -84.648
where: short stacking energy: -29.228
Base-Backbone interact. energy: -0.282
local terms energy: -44.930392
where:
bonds (distance) C4'-P energy: -8.463
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -8.247
flat angles P-C4'-P energy: -6.674
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: 6, replica: 7
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -88.890707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.890707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.890707 (E_RNA)
where:
Base-Base interactions energy: -47.582
where: short stacking energy: -32.526
Base-Backbone interact. energy: -0.148
local terms energy: -41.160965
where:
bonds (distance) C4'-P energy: -8.339
bonds (distance) P-C4' energy: -12.199
flat angles C4'-P-C4' energy: -9.362
flat angles P-C4'-P energy: -4.387
tors. eta vs tors. theta energy: -6.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -64.231109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.231109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.231109 (E_RNA)
where:
Base-Base interactions energy: -30.511
where: short stacking energy: -17.335
Base-Backbone interact. energy: 1.643
local terms energy: -35.362812
where:
bonds (distance) C4'-P energy: -8.981
bonds (distance) P-C4' energy: -6.702
flat angles C4'-P-C4' energy: -9.004
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -3.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -65.069487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.069487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.069487 (E_RNA)
where:
Base-Base interactions energy: -25.033
where: short stacking energy: -20.636
Base-Backbone interact. energy: -0.024
local terms energy: -40.012621
where:
bonds (distance) C4'-P energy: -8.723
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -12.032
flat angles P-C4'-P energy: -6.969
tors. eta vs tors. theta energy: -0.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -76.369395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.369395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.369395 (E_RNA)
where:
Base-Base interactions energy: -36.466
where: short stacking energy: -27.991
Base-Backbone interact. energy: -0.005
local terms energy: -39.898588
where:
bonds (distance) C4'-P energy: -8.582
bonds (distance) P-C4' energy: -11.863
flat angles C4'-P-C4' energy: -9.683
flat angles P-C4'-P energy: -2.826
tors. eta vs tors. theta energy: -6.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -56.204019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.204019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.204019 (E_RNA)
where:
Base-Base interactions energy: -16.630
where: short stacking energy: -11.308
Base-Backbone interact. energy: -0.727
local terms energy: -38.846652
where:
bonds (distance) C4'-P energy: -11.654
bonds (distance) P-C4' energy: -8.920
flat angles C4'-P-C4' energy: -10.021
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: 0.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -140.569998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.569998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.569998 (E_RNA)
where:
Base-Base interactions energy: -87.544
where: short stacking energy: -36.543
Base-Backbone interact. energy: -0.004
local terms energy: -53.021169
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -4.636
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: 2, replica: 9
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -153.596847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.596847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.596847 (E_RNA)
where:
Base-Base interactions energy: -101.602
where: short stacking energy: -36.893
Base-Backbone interact. energy: -0.114
local terms energy: -51.880895
where:
bonds (distance) C4'-P energy: -10.350
bonds (distance) P-C4' energy: -11.121
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -6.579
tors. eta vs tors. theta energy: -12.076
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: 3, replica: 6
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -148.856239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.856239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.856239 (E_RNA)
where:
Base-Base interactions energy: -96.155
where: short stacking energy: -32.890
Base-Backbone interact. energy: -0.001
local terms energy: -52.700969
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -12.878
flat angles P-C4'-P energy: -4.748
tors. eta vs tors. theta energy: -10.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -124.853789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.853789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.853789 (E_RNA)
where:
Base-Base interactions energy: -74.337
where: short stacking energy: -34.645
Base-Backbone interact. energy: 0.339
local terms energy: -50.856357
where:
bonds (distance) C4'-P energy: -10.751
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -5.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -127.740297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.740297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.740297 (E_RNA)
where:
Base-Base interactions energy: -72.358
where: short stacking energy: -37.438
Base-Backbone interact. energy: -0.074
local terms energy: -55.308940
where:
bonds (distance) C4'-P energy: -11.985
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -11.902
flat angles P-C4'-P energy: -5.411
tors. eta vs tors. theta energy: -13.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -79.316173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.316173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.316173 (E_RNA)
where:
Base-Base interactions energy: -26.494
where: short stacking energy: -16.993
Base-Backbone interact. energy: -0.086
local terms energy: -52.735972
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -5.527
tors. eta vs tors. theta energy: -6.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -66.508166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.508166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.508166 (E_RNA)
where:
Base-Base interactions energy: -28.421
where: short stacking energy: -17.020
Base-Backbone interact. energy: -0.444
local terms energy: -37.643324
where:
bonds (distance) C4'-P energy: -7.841
bonds (distance) P-C4' energy: -12.028
flat angles C4'-P-C4' energy: -6.025
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -3.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -59.945147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.945147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.945147 (E_RNA)
where:
Base-Base interactions energy: -22.997
where: short stacking energy: -19.937
Base-Backbone interact. energy: -0.462
local terms energy: -36.486176
where:
bonds (distance) C4'-P energy: -10.247
bonds (distance) P-C4' energy: -8.410
flat angles C4'-P-C4' energy: -11.040
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: 1.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -67.724442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.724442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.724442 (E_RNA)
where:
Base-Base interactions energy: -22.994
where: short stacking energy: -22.910
Base-Backbone interact. energy: -0.426
local terms energy: -44.303560
where:
bonds (distance) C4'-P energy: -10.979
bonds (distance) P-C4' energy: -10.305
flat angles C4'-P-C4' energy: -11.523
flat angles P-C4'-P energy: -4.317
tors. eta vs tors. theta energy: -7.178
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: 10, replica: 3
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -72.106571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.106571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.106571 (E_RNA)
where:
Base-Base interactions energy: -32.270
where: short stacking energy: -14.684
Base-Backbone interact. energy: 0.592
local terms energy: -40.428501
where:
bonds (distance) C4'-P energy: -8.040
bonds (distance) P-C4' energy: -13.699
flat angles C4'-P-C4' energy: -8.129
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -2.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -158.510761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.510761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.510761 (E_RNA)
where:
Base-Base interactions energy: -100.461
where: short stacking energy: -39.059
Base-Backbone interact. energy: -0.081
local terms energy: -57.969139
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -10.911
flat angles C4'-P-C4' energy: -10.872
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -15.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -150.482673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.482673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.482673 (E_RNA)
where:
Base-Base interactions energy: -99.021
where: short stacking energy: -34.916
Base-Backbone interact. energy: -0.182
local terms energy: -51.280392
where:
bonds (distance) C4'-P energy: -12.619
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -11.338
flat angles P-C4'-P energy: -4.905
tors. eta vs tors. theta energy: -9.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -139.836370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.836370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.836370 (E_RNA)
where:
Base-Base interactions energy: -88.389
where: short stacking energy: -36.643
Base-Backbone interact. energy: 0.186
local terms energy: -51.633391
where:
bonds (distance) C4'-P energy: -8.989
bonds (distance) P-C4' energy: -10.155
flat angles C4'-P-C4' energy: -10.547
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: -13.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -130.745324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.745324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.745324 (E_RNA)
where:
Base-Base interactions energy: -84.114
where: short stacking energy: -34.571
Base-Backbone interact. energy: 0.076
local terms energy: -46.707508
where:
bonds (distance) C4'-P energy: -10.773
bonds (distance) P-C4' energy: -9.559
flat angles C4'-P-C4' energy: -10.035
flat angles P-C4'-P energy: -7.247
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: 5, replica: 1
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -102.088007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.088007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.088007 (E_RNA)
where:
Base-Base interactions energy: -53.466
where: short stacking energy: -20.428
Base-Backbone interact. energy: 0.338
local terms energy: -48.960002
where:
bonds (distance) C4'-P energy: -10.992
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -8.949
flat angles P-C4'-P energy: -8.417
tors. eta vs tors. theta energy: -6.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -98.773135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.773135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.773135 (E_RNA)
where:
Base-Base interactions energy: -56.219
where: short stacking energy: -21.026
Base-Backbone interact. energy: -0.188
local terms energy: -42.365861
where:
bonds (distance) C4'-P energy: -9.525
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -11.860
flat angles P-C4'-P energy: -3.573
tors. eta vs tors. theta energy: -5.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -62.990073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.990073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.990073 (E_RNA)
where:
Base-Base interactions energy: -26.497
where: short stacking energy: -22.811
Base-Backbone interact. energy: -0.030
local terms energy: -36.463120
where:
bonds (distance) C4'-P energy: -10.834
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -6.548
flat angles P-C4'-P energy: -2.146
tors. eta vs tors. theta energy: -3.416
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: 5
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -70.370026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.370026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.370026 (E_RNA)
where:
Base-Base interactions energy: -35.052
where: short stacking energy: -14.941
Base-Backbone interact. energy: 0.803
local terms energy: -36.120639
where:
bonds (distance) C4'-P energy: -10.280
bonds (distance) P-C4' energy: -4.081
flat angles C4'-P-C4' energy: -9.918
flat angles P-C4'-P energy: -5.249
tors. eta vs tors. theta energy: -6.594
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: 3
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -69.137291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.137291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.137291 (E_RNA)
where:
Base-Base interactions energy: -29.480
where: short stacking energy: -6.536
Base-Backbone interact. energy: -0.049
local terms energy: -39.607928
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -10.059
flat angles C4'-P-C4' energy: -11.845
flat angles P-C4'-P energy: -5.776
tors. eta vs tors. theta energy: 1.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -57.899495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.899495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.899495 (E_RNA)
where:
Base-Base interactions energy: -21.585
where: short stacking energy: -18.537
Base-Backbone interact. energy: -0.101
local terms energy: -36.214229
where:
bonds (distance) C4'-P energy: -11.368
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -8.921
flat angles P-C4'-P energy: -6.107
tors. eta vs tors. theta energy: 2.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -150.027640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.027640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.027640 (E_RNA)
where:
Base-Base interactions energy: -95.046
where: short stacking energy: -41.496
Base-Backbone interact. energy: -0.005
local terms energy: -54.977278
where:
bonds (distance) C4'-P energy: -10.738
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -6.802
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -14.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -153.151897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.151897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.151897 (E_RNA)
where:
Base-Base interactions energy: -97.972
where: short stacking energy: -42.802
Base-Backbone interact. energy: 0.215
local terms energy: -55.395270
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -9.364
flat angles C4'-P-C4' energy: -11.856
flat angles P-C4'-P energy: -7.303
tors. eta vs tors. theta energy: -12.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -135.251754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.251754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.251754 (E_RNA)
where:
Base-Base interactions energy: -82.914
where: short stacking energy: -27.882
Base-Backbone interact. energy: -0.045
local terms energy: -52.293053
where:
bonds (distance) C4'-P energy: -11.327
bonds (distance) P-C4' energy: -10.704
flat angles C4'-P-C4' energy: -11.125
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: -9.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -133.633306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.633306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.633306 (E_RNA)
where:
Base-Base interactions energy: -79.651
where: short stacking energy: -30.376
Base-Backbone interact. energy: -0.024
local terms energy: -53.958634
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -7.146
tors. eta vs tors. theta energy: -9.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -91.163948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.163948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.163948 (E_RNA)
where:
Base-Base interactions energy: -48.113
where: short stacking energy: -24.152
Base-Backbone interact. energy: -0.852
local terms energy: -42.199778
where:
bonds (distance) C4'-P energy: -6.376
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -11.396
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -5.127
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: 8
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -121.768550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.768550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.768550 (E_RNA)
where:
Base-Base interactions energy: -78.854
where: short stacking energy: -29.199
Base-Backbone interact. energy: 0.021
local terms energy: -42.935585
where:
bonds (distance) C4'-P energy: -6.408
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -8.418
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -7.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -68.373588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.373588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.373588 (E_RNA)
where:
Base-Base interactions energy: -26.643
where: short stacking energy: -19.772
Base-Backbone interact. energy: -0.141
local terms energy: -41.589090
where:
bonds (distance) C4'-P energy: -11.878
bonds (distance) P-C4' energy: -7.344
flat angles C4'-P-C4' energy: -12.078
flat angles P-C4'-P energy: -6.816
tors. eta vs tors. theta energy: -3.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -65.741691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.741691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.741691 (E_RNA)
where:
Base-Base interactions energy: -22.585
where: short stacking energy: -17.900
Base-Backbone interact. energy: -0.001
local terms energy: -43.155795
where:
bonds (distance) C4'-P energy: -10.862
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -9.359
flat angles P-C4'-P energy: -7.628
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: 9, replica: 5
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -66.328723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.328723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.328723 (E_RNA)
where:
Base-Base interactions energy: -28.339
where: short stacking energy: -28.339
Base-Backbone interact. energy: -0.030
local terms energy: -37.959771
where:
bonds (distance) C4'-P energy: -9.198
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -9.897
flat angles P-C4'-P energy: -2.641
tors. eta vs tors. theta energy: -4.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -52.296755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.296755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.296755 (E_RNA)
where:
Base-Base interactions energy: -12.790
where: short stacking energy: -11.106
Base-Backbone interact. energy: 0.218
local terms energy: -39.724410
where:
bonds (distance) C4'-P energy: -12.071
bonds (distance) P-C4' energy: -8.255
flat angles C4'-P-C4' energy: -12.206
flat angles P-C4'-P energy: -6.022
tors. eta vs tors. theta energy: -1.171
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: 1, replica: 6
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -155.212671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.212671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.212671 (E_RNA)
where:
Base-Base interactions energy: -99.363
where: short stacking energy: -33.716
Base-Backbone interact. energy: -0.045
local terms energy: -55.804247
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -11.910
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -8.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -150.569470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.569470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.569470 (E_RNA)
where:
Base-Base interactions energy: -99.915
where: short stacking energy: -40.989
Base-Backbone interact. energy: -0.012
local terms energy: -50.642138
where:
bonds (distance) C4'-P energy: -8.351
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -9.506
flat angles P-C4'-P energy: -7.917
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: 3, replica: 10
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -139.132302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.132302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.132302 (E_RNA)
where:
Base-Base interactions energy: -84.379
where: short stacking energy: -36.151
Base-Backbone interact. energy: -0.024
local terms energy: -54.729268
where:
bonds (distance) C4'-P energy: -9.444
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -8.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -128.951312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.951312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.951312 (E_RNA)
where:
Base-Base interactions energy: -77.274
where: short stacking energy: -35.227
Base-Backbone interact. energy: -0.064
local terms energy: -51.613609
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -7.092
tors. eta vs tors. theta energy: -9.139
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: 8
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -131.358495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.358495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.358495 (E_RNA)
where:
Base-Base interactions energy: -84.951
where: short stacking energy: -29.770
Base-Backbone interact. energy: -0.145
local terms energy: -46.262087
where:
bonds (distance) C4'-P energy: -9.796
bonds (distance) P-C4' energy: -10.482
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -2.969
tors. eta vs tors. theta energy: -10.994
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: 1
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -74.006768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.006768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.006768 (E_RNA)
where:
Base-Base interactions energy: -44.352
where: short stacking energy: -14.434
Base-Backbone interact. energy: -1.096
local terms energy: -28.558479
where:
bonds (distance) C4'-P energy: -7.311
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -4.334
flat angles P-C4'-P energy: -3.217
tors. eta vs tors. theta energy: 0.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -60.358592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.358592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.358592 (E_RNA)
where:
Base-Base interactions energy: -15.142
where: short stacking energy: -14.166
Base-Backbone interact. energy: -0.018
local terms energy: -45.198704
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -8.904
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -2.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -59.218643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.218643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.218643 (E_RNA)
where:
Base-Base interactions energy: -20.383
where: short stacking energy: -20.196
Base-Backbone interact. energy: -0.590
local terms energy: -38.246272
where:
bonds (distance) C4'-P energy: -7.113
bonds (distance) P-C4' energy: -9.573
flat angles C4'-P-C4' energy: -10.446
flat angles P-C4'-P energy: -9.096
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: 9, replica: 5
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -74.022543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.022543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.022543 (E_RNA)
where:
Base-Base interactions energy: -36.267
where: short stacking energy: -29.168
Base-Backbone interact. energy: -0.006
local terms energy: -37.750195
where:
bonds (distance) C4'-P energy: -5.692
bonds (distance) P-C4' energy: -10.141
flat angles C4'-P-C4' energy: -12.546
flat angles P-C4'-P energy: -2.938
tors. eta vs tors. theta energy: -6.433
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: 2
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -58.556316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.556316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.556316 (E_RNA)
where:
Base-Base interactions energy: -19.847
where: short stacking energy: -19.428
Base-Backbone interact. energy: -0.262
local terms energy: -38.447447
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -6.134
flat angles C4'-P-C4' energy: -8.048
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -1.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -160.896525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.896525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.896525 (E_RNA)
where:
Base-Base interactions energy: -107.687
where: short stacking energy: -39.000
Base-Backbone interact. energy: -0.108
local terms energy: -53.101844
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -7.490
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -12.446
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: 2, replica: 9
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -149.720339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.720339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.720339 (E_RNA)
where:
Base-Base interactions energy: -99.199
where: short stacking energy: -40.970
Base-Backbone interact. energy: -0.003
local terms energy: -50.518376
where:
bonds (distance) C4'-P energy: -10.689
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -9.998
flat angles P-C4'-P energy: -5.191
tors. eta vs tors. theta energy: -12.387
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: 253
Temperature: 1.000000
Total energy: -128.091452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.091452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.091452 (E_RNA)
where:
Base-Base interactions energy: -75.192
where: short stacking energy: -33.953
Base-Backbone interact. energy: -0.022
local terms energy: -52.877628
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -10.196
flat angles C4'-P-C4' energy: -10.794
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -9.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -129.506761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.506761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.506761 (E_RNA)
where:
Base-Base interactions energy: -80.012
where: short stacking energy: -40.881
Base-Backbone interact. energy: 0.279
local terms energy: -49.773749
where:
bonds (distance) C4'-P energy: -10.263
bonds (distance) P-C4' energy: -10.594
flat angles C4'-P-C4' energy: -9.016
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -10.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -130.688826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.688826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.688826 (E_RNA)
where:
Base-Base interactions energy: -81.032
where: short stacking energy: -35.324
Base-Backbone interact. energy: -0.002
local terms energy: -49.654546
where:
bonds (distance) C4'-P energy: -10.333
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -10.490
flat angles P-C4'-P energy: -3.734
tors. eta vs tors. theta energy: -12.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -87.725298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.725298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.725298 (E_RNA)
where:
Base-Base interactions energy: -50.068
where: short stacking energy: -22.772
Base-Backbone interact. energy: -0.201
local terms energy: -37.455930
where:
bonds (distance) C4'-P energy: -8.756
bonds (distance) P-C4' energy: -11.731
flat angles C4'-P-C4' energy: -9.345
flat angles P-C4'-P energy: -3.823
tors. eta vs tors. theta energy: -3.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -69.832056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.832056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.832056 (E_RNA)
where:
Base-Base interactions energy: -30.780
where: short stacking energy: -16.619
Base-Backbone interact. energy: -0.030
local terms energy: -39.021453
where:
bonds (distance) C4'-P energy: -10.507
bonds (distance) P-C4' energy: -11.130
flat angles C4'-P-C4' energy: -9.079
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -0.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -58.275639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.275639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.275639 (E_RNA)
where:
Base-Base interactions energy: -16.109
where: short stacking energy: -12.599
Base-Backbone interact. energy: -1.924
local terms energy: -40.242129
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -8.082
flat angles P-C4'-P energy: -8.078
tors. eta vs tors. theta energy: 1.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -64.205409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.205409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.205409 (E_RNA)
where:
Base-Base interactions energy: -21.389
where: short stacking energy: -21.355
Base-Backbone interact. energy: -0.222
local terms energy: -42.593837
where:
bonds (distance) C4'-P energy: -10.615
bonds (distance) P-C4' energy: -11.050
flat angles C4'-P-C4' energy: -10.697
flat angles P-C4'-P energy: -2.679
tors. eta vs tors. theta energy: -7.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -62.890510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.890510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.890510 (E_RNA)
where:
Base-Base interactions energy: -21.272
where: short stacking energy: -21.272
Base-Backbone interact. energy: -0.001
local terms energy: -41.618183
where:
bonds (distance) C4'-P energy: -11.614
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -5.433
flat angles P-C4'-P energy: -6.206
tors. eta vs tors. theta energy: -5.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -159.423841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.423841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.423841 (E_RNA)
where:
Base-Base interactions energy: -106.549
where: short stacking energy: -37.501
Base-Backbone interact. energy: -0.033
local terms energy: -52.842709
where:
bonds (distance) C4'-P energy: -10.954
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -10.465
flat angles P-C4'-P energy: -5.679
tors. eta vs tors. theta energy: -13.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -146.280779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.280779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.280779 (E_RNA)
where:
Base-Base interactions energy: -92.610
where: short stacking energy: -37.364
Base-Backbone interact. energy: 0.272
local terms energy: -53.943460
where:
bonds (distance) C4'-P energy: -10.867
bonds (distance) P-C4' energy: -12.290
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -7.049
tors. eta vs tors. theta energy: -9.470
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: 254
Temperature: 1.000000
Total energy: -127.256187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.256187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.256187 (E_RNA)
where:
Base-Base interactions energy: -80.269
where: short stacking energy: -34.682
Base-Backbone interact. energy: -0.073
local terms energy: -46.914184
where:
bonds (distance) C4'-P energy: -10.784
bonds (distance) P-C4' energy: -8.658
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -6.140
tors. eta vs tors. theta energy: -8.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -137.092113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.092113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.092113 (E_RNA)
where:
Base-Base interactions energy: -87.674
where: short stacking energy: -32.090
Base-Backbone interact. energy: -1.078
local terms energy: -48.339755
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -10.625
flat angles C4'-P-C4' energy: -10.262
flat angles P-C4'-P energy: -5.213
tors. eta vs tors. theta energy: -9.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -146.999737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.999737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.999737 (E_RNA)
where:
Base-Base interactions energy: -97.289
where: short stacking energy: -37.108
Base-Backbone interact. energy: -0.091
local terms energy: -49.620562
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -8.822
flat angles P-C4'-P energy: -4.027
tors. eta vs tors. theta energy: -12.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -87.747403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.747403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.747403 (E_RNA)
where:
Base-Base interactions energy: -50.385
where: short stacking energy: -16.796
Base-Backbone interact. energy: -0.042
local terms energy: -37.321041
where:
bonds (distance) C4'-P energy: -7.004
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -9.329
flat angles P-C4'-P energy: -7.936
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: 7, replica: 5
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -67.695035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.695035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.695035 (E_RNA)
where:
Base-Base interactions energy: -22.077
where: short stacking energy: -22.077
Base-Backbone interact. energy: -0.002
local terms energy: -45.616311
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -8.598
flat angles C4'-P-C4' energy: -11.288
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -3.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -62.262083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.262083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.262083 (E_RNA)
where:
Base-Base interactions energy: -14.987
where: short stacking energy: -14.987
Base-Backbone interact. energy: -0.145
local terms energy: -47.130111
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -12.914
flat angles C4'-P-C4' energy: -9.760
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -0.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -59.520593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.520593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.520593 (E_RNA)
where:
Base-Base interactions energy: -20.853
where: short stacking energy: -17.189
Base-Backbone interact. energy: -0.030
local terms energy: -38.637725
where:
bonds (distance) C4'-P energy: -10.698
bonds (distance) P-C4' energy: -11.045
flat angles C4'-P-C4' energy: -10.322
flat angles P-C4'-P energy: -4.114
tors. eta vs tors. theta energy: -2.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -59.215115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.215115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.215115 (E_RNA)
where:
Base-Base interactions energy: -22.895
where: short stacking energy: -12.168
Base-Backbone interact. energy: -0.177
local terms energy: -36.143308
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -9.334
flat angles C4'-P-C4' energy: -6.419
flat angles P-C4'-P energy: -7.630
tors. eta vs tors. theta energy: 0.207
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: 255
Temperature: 0.900000
Total energy: -149.758846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.758846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.758846 (E_RNA)
where:
Base-Base interactions energy: -104.259
where: short stacking energy: -32.360
Base-Backbone interact. energy: -0.077
local terms energy: -45.423078
where:
bonds (distance) C4'-P energy: -7.002
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -9.469
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: -7.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -146.692302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.692302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.692302 (E_RNA)
where:
Base-Base interactions energy: -95.352
where: short stacking energy: -30.503
Base-Backbone interact. energy: -0.051
local terms energy: -51.289349
where:
bonds (distance) C4'-P energy: -9.969
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -12.272
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: -7.301
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: 8
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -139.566934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.566934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.566934 (E_RNA)
where:
Base-Base interactions energy: -81.062
where: short stacking energy: -29.588
Base-Backbone interact. energy: -0.096
local terms energy: -58.408537
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -12.479
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -11.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -136.209004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.209004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.209004 (E_RNA)
where:
Base-Base interactions energy: -82.145
where: short stacking energy: -36.129
Base-Backbone interact. energy: -0.073
local terms energy: -53.990543
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -9.601
flat angles C4'-P-C4' energy: -11.976
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -10.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -132.726808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.726808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.726808 (E_RNA)
where:
Base-Base interactions energy: -86.128
where: short stacking energy: -34.033
Base-Backbone interact. energy: -0.141
local terms energy: -46.457489
where:
bonds (distance) C4'-P energy: -10.267
bonds (distance) P-C4' energy: -10.995
flat angles C4'-P-C4' energy: -9.409
flat angles P-C4'-P energy: -4.270
tors. eta vs tors. theta energy: -11.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -65.730994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.730994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.730994 (E_RNA)
where:
Base-Base interactions energy: -25.801
where: short stacking energy: -21.079
Base-Backbone interact. energy: -0.139
local terms energy: -39.790905
where:
bonds (distance) C4'-P energy: -9.012
bonds (distance) P-C4' energy: -10.313
flat angles C4'-P-C4' energy: -10.153
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -2.282
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: 7, replica: 1
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -69.240045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.240045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.240045 (E_RNA)
where:
Base-Base interactions energy: -34.346
where: short stacking energy: -6.394
Base-Backbone interact. energy: -0.104
local terms energy: -34.789830
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -10.169
flat angles P-C4'-P energy: -3.426
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: 8, replica: 2
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -72.194308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.194308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.194308 (E_RNA)
where:
Base-Base interactions energy: -38.059
where: short stacking energy: -16.040
Base-Backbone interact. energy: 0.046
local terms energy: -34.181445
where:
bonds (distance) C4'-P energy: -10.475
bonds (distance) P-C4' energy: -10.163
flat angles C4'-P-C4' energy: -7.894
flat angles P-C4'-P energy: -4.121
tors. eta vs tors. theta energy: -1.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -64.167169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.167169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.167169 (E_RNA)
where:
Base-Base interactions energy: -26.430
where: short stacking energy: -19.449
Base-Backbone interact. energy: -0.118
local terms energy: -37.618961
where:
bonds (distance) C4'-P energy: -9.384
bonds (distance) P-C4' energy: -8.593
flat angles C4'-P-C4' energy: -10.456
flat angles P-C4'-P energy: -5.144
tors. eta vs tors. theta energy: -4.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -63.044281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.044281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.044281 (E_RNA)
where:
Base-Base interactions energy: -17.744
where: short stacking energy: -17.744
Base-Backbone interact. energy: -0.192
local terms energy: -45.107498
where:
bonds (distance) C4'-P energy: -9.597
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -12.009
flat angles P-C4'-P energy: -6.548
tors. eta vs tors. theta energy: -4.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -150.841877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.841877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.841877 (E_RNA)
where:
Base-Base interactions energy: -97.252
where: short stacking energy: -34.044
Base-Backbone interact. energy: -0.284
local terms energy: -53.305485
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -7.542
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -9.518
tors. eta vs tors. theta energy: -9.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -145.423072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.423072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.423072 (E_RNA)
where:
Base-Base interactions energy: -90.938
where: short stacking energy: -41.923
Base-Backbone interact. energy: -0.480
local terms energy: -54.004520
where:
bonds (distance) C4'-P energy: -10.450
bonds (distance) P-C4' energy: -9.660
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -9.392
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: 3, replica: 10
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -143.509419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.509419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.509419 (E_RNA)
where:
Base-Base interactions energy: -95.623
where: short stacking energy: -33.691
Base-Backbone interact. energy: 0.764
local terms energy: -48.649577
where:
bonds (distance) C4'-P energy: -10.905
bonds (distance) P-C4' energy: -10.477
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: -5.011
tors. eta vs tors. theta energy: -9.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -142.861874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.861874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.861874 (E_RNA)
where:
Base-Base interactions energy: -92.838
where: short stacking energy: -31.296
Base-Backbone interact. energy: -0.049
local terms energy: -49.974633
where:
bonds (distance) C4'-P energy: -5.486
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -7.562
tors. eta vs tors. theta energy: -11.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -120.867313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.867313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.867313 (E_RNA)
where:
Base-Base interactions energy: -75.509
where: short stacking energy: -22.107
Base-Backbone interact. energy: -0.426
local terms energy: -44.932226
where:
bonds (distance) C4'-P energy: -11.273
bonds (distance) P-C4' energy: -9.777
flat angles C4'-P-C4' energy: -8.479
flat angles P-C4'-P energy: -7.807
tors. eta vs tors. theta energy: -7.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -93.694799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.694799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.694799 (E_RNA)
where:
Base-Base interactions energy: -49.671
where: short stacking energy: -22.335
Base-Backbone interact. energy: 0.293
local terms energy: -44.315956
where:
bonds (distance) C4'-P energy: -10.048
bonds (distance) P-C4' energy: -12.019
flat angles C4'-P-C4' energy: -9.002
flat angles P-C4'-P energy: -6.903
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: 7, replica: 2
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -66.078553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.078553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.078553 (E_RNA)
where:
Base-Base interactions energy: -29.627
where: short stacking energy: -12.741
Base-Backbone interact. energy: 1.513
local terms energy: -37.964171
where:
bonds (distance) C4'-P energy: -10.735
bonds (distance) P-C4' energy: -9.575
flat angles C4'-P-C4' energy: -10.439
flat angles P-C4'-P energy: -8.272
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: 8, replica: 1
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -70.546862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.546862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.546862 (E_RNA)
where:
Base-Base interactions energy: -32.441
where: short stacking energy: -16.667
Base-Backbone interact. energy: -0.957
local terms energy: -37.149188
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -8.383
flat angles C4'-P-C4' energy: -9.787
flat angles P-C4'-P energy: -5.056
tors. eta vs tors. theta energy: -1.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -104.210527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.210527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.210527 (E_RNA)
where:
Base-Base interactions energy: -68.332
where: short stacking energy: -26.992
Base-Backbone interact. energy: -0.043
local terms energy: -35.835649
where:
bonds (distance) C4'-P energy: -6.657
bonds (distance) P-C4' energy: -5.720
flat angles C4'-P-C4' energy: -11.967
flat angles P-C4'-P energy: -3.996
tors. eta vs tors. theta energy: -7.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -57.552693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.552693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.552693 (E_RNA)
where:
Base-Base interactions energy: -13.726
where: short stacking energy: -13.726
Base-Backbone interact. energy: -0.101
local terms energy: -43.725430
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -10.244
flat angles P-C4'-P energy: -4.700
tors. eta vs tors. theta energy: -4.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -154.176738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.176738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.176738 (E_RNA)
where:
Base-Base interactions energy: -104.037
where: short stacking energy: -34.091
Base-Backbone interact. energy: -0.127
local terms energy: -50.013444
where:
bonds (distance) C4'-P energy: -9.977
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -10.965
flat angles P-C4'-P energy: -5.394
tors. eta vs tors. theta energy: -11.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -148.974288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.974288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.974288 (E_RNA)
where:
Base-Base interactions energy: -94.136
where: short stacking energy: -42.753
Base-Backbone interact. energy: -0.451
local terms energy: -54.386835
where:
bonds (distance) C4'-P energy: -11.281
bonds (distance) P-C4' energy: -10.428
flat angles C4'-P-C4' energy: -12.250
flat angles P-C4'-P energy: -7.822
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: 3, replica: 10
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -141.194811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.194811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.194811 (E_RNA)
where:
Base-Base interactions energy: -85.580
where: short stacking energy: -39.951
Base-Backbone interact. energy: -0.697
local terms energy: -54.918729
where:
bonds (distance) C4'-P energy: -9.940
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -7.980
tors. eta vs tors. theta energy: -11.883
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: 4
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -127.273369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.273369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.273369 (E_RNA)
where:
Base-Base interactions energy: -83.014
where: short stacking energy: -31.136
Base-Backbone interact. energy: 0.127
local terms energy: -44.386192
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -11.715
flat angles C4'-P-C4' energy: -7.501
flat angles P-C4'-P energy: -6.985
tors. eta vs tors. theta energy: -6.808
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: 5, replica: 8
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -144.779913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.779913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.779913 (E_RNA)
where:
Base-Base interactions energy: -99.040
where: short stacking energy: -36.548
Base-Backbone interact. energy: -0.628
local terms energy: -45.111718
where:
bonds (distance) C4'-P energy: -9.808
bonds (distance) P-C4' energy: -8.030
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -3.119
tors. eta vs tors. theta energy: -12.001
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: 6, replica: 5
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -112.449186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.449186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.449186 (E_RNA)
where:
Base-Base interactions energy: -66.594
where: short stacking energy: -30.950
Base-Backbone interact. energy: -0.130
local terms energy: -45.725454
where:
bonds (distance) C4'-P energy: -9.460
bonds (distance) P-C4' energy: -6.697
flat angles C4'-P-C4' energy: -11.288
flat angles P-C4'-P energy: -9.603
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: 7, replica: 2
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -65.646939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.646939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.646939 (E_RNA)
where:
Base-Base interactions energy: -22.587
where: short stacking energy: -12.542
Base-Backbone interact. energy: -0.664
local terms energy: -42.395341
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -9.672
flat angles C4'-P-C4' energy: -8.037
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -3.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -72.919809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.919809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.919809 (E_RNA)
where:
Base-Base interactions energy: -36.570
where: short stacking energy: -20.490
Base-Backbone interact. energy: -0.071
local terms energy: -36.279099
where:
bonds (distance) C4'-P energy: -5.060
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -4.122
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -6.219
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: 1
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -63.366926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.366926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.366926 (E_RNA)
where:
Base-Base interactions energy: -26.443
where: short stacking energy: -15.172
Base-Backbone interact. energy: -0.016
local terms energy: -36.908343
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -4.796
flat angles P-C4'-P energy: -4.659
tors. eta vs tors. theta energy: -1.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -61.837819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.837819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.837819 (E_RNA)
where:
Base-Base interactions energy: -25.400
where: short stacking energy: -19.780
Base-Backbone interact. energy: -0.002
local terms energy: -36.436152
where:
bonds (distance) C4'-P energy: -5.348
bonds (distance) P-C4' energy: -10.851
flat angles C4'-P-C4' energy: -11.967
flat angles P-C4'-P energy: -2.533
tors. eta vs tors. theta energy: -5.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -159.969959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.969959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.969959 (E_RNA)
where:
Base-Base interactions energy: -108.721
where: short stacking energy: -40.584
Base-Backbone interact. energy: -0.096
local terms energy: -51.152987
where:
bonds (distance) C4'-P energy: -10.967
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -12.052
flat angles P-C4'-P energy: -6.554
tors. eta vs tors. theta energy: -8.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -148.863918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.863918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.863918 (E_RNA)
where:
Base-Base interactions energy: -106.262
where: short stacking energy: -18.881
Base-Backbone interact. energy: 0.230
local terms energy: -42.832805
where:
bonds (distance) C4'-P energy: -9.676
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -6.566
flat angles P-C4'-P energy: -5.838
tors. eta vs tors. theta energy: -9.010
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: 10
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -144.963469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.963469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.963469 (E_RNA)
where:
Base-Base interactions energy: -94.954
where: short stacking energy: -34.581
Base-Backbone interact. energy: -0.178
local terms energy: -49.831385
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -10.299
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -6.996
tors. eta vs tors. theta energy: -9.432
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: 4
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -134.203478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.203478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.203478 (E_RNA)
where:
Base-Base interactions energy: -84.633
where: short stacking energy: -40.891
Base-Backbone interact. energy: -0.020
local terms energy: -49.550676
where:
bonds (distance) C4'-P energy: -9.291
bonds (distance) P-C4' energy: -10.869
flat angles C4'-P-C4' energy: -10.523
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: -11.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -134.222287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.222287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.222287 (E_RNA)
where:
Base-Base interactions energy: -91.667
where: short stacking energy: -34.011
Base-Backbone interact. energy: 1.081
local terms energy: -43.636635
where:
bonds (distance) C4'-P energy: -4.807
bonds (distance) P-C4' energy: -11.749
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -3.095
tors. eta vs tors. theta energy: -10.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -114.571982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.571982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.571982 (E_RNA)
where:
Base-Base interactions energy: -70.646
where: short stacking energy: -30.419
Base-Backbone interact. energy: -0.043
local terms energy: -43.883253
where:
bonds (distance) C4'-P energy: -10.250
bonds (distance) P-C4' energy: -10.225
flat angles C4'-P-C4' energy: -9.107
flat angles P-C4'-P energy: -7.533
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: 7, replica: 7
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -61.349922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.349922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.349922 (E_RNA)
where:
Base-Base interactions energy: -17.118
where: short stacking energy: -17.118
Base-Backbone interact. energy: -0.004
local terms energy: -44.227367
where:
bonds (distance) C4'-P energy: -11.248
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -12.067
flat angles P-C4'-P energy: -3.835
tors. eta vs tors. theta energy: -3.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -64.098469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.098469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.098469 (E_RNA)
where:
Base-Base interactions energy: -33.596
where: short stacking energy: -7.837
Base-Backbone interact. energy: -0.440
local terms energy: -30.061587
where:
bonds (distance) C4'-P energy: -10.618
bonds (distance) P-C4' energy: -6.777
flat angles C4'-P-C4' energy: -11.810
flat angles P-C4'-P energy: -5.712
tors. eta vs tors. theta energy: 4.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -64.914911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.914911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.914911 (E_RNA)
where:
Base-Base interactions energy: -26.454
where: short stacking energy: -22.704
Base-Backbone interact. energy: -0.159
local terms energy: -38.301886
where:
bonds (distance) C4'-P energy: -8.131
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -4.029
tors. eta vs tors. theta energy: -1.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -52.990951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.990951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.990951 (E_RNA)
where:
Base-Base interactions energy: -12.023
where: short stacking energy: -12.023
Base-Backbone interact. energy: -0.658
local terms energy: -40.310486
where:
bonds (distance) C4'-P energy: -6.693
bonds (distance) P-C4' energy: -11.033
flat angles C4'-P-C4' energy: -10.723
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: -0.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -156.777370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.777370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.777370 (E_RNA)
where:
Base-Base interactions energy: -99.302
where: short stacking energy: -39.332
Base-Backbone interact. energy: -0.119
local terms energy: -57.356658
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -11.518
flat angles P-C4'-P energy: -5.857
tors. eta vs tors. theta energy: -13.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -143.001331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.001331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.001331 (E_RNA)
where:
Base-Base interactions energy: -83.997
where: short stacking energy: -41.776
Base-Backbone interact. energy: -0.003
local terms energy: -59.001289
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -13.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -140.170297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.170297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.170297 (E_RNA)
where:
Base-Base interactions energy: -83.117
where: short stacking energy: -32.312
Base-Backbone interact. energy: -0.481
local terms energy: -56.572347
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -9.489
flat angles P-C4'-P energy: -8.221
tors. eta vs tors. theta energy: -11.171
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: 259
Temperature: 1.050000
Total energy: -143.624894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.624894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.624894 (E_RNA)
where:
Base-Base interactions energy: -91.203
where: short stacking energy: -36.647
Base-Backbone interact. energy: -0.002
local terms energy: -52.420761
where:
bonds (distance) C4'-P energy: -9.986
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -7.190
tors. eta vs tors. theta energy: -10.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -144.516666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.516666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.516666 (E_RNA)
where:
Base-Base interactions energy: -93.671
where: short stacking energy: -38.124
Base-Backbone interact. energy: -0.018
local terms energy: -50.827471
where:
bonds (distance) C4'-P energy: -8.923
bonds (distance) P-C4' energy: -12.355
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -3.867
tors. eta vs tors. theta energy: -13.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -118.259798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.259798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.259798 (E_RNA)
where:
Base-Base interactions energy: -74.306
where: short stacking energy: -28.487
Base-Backbone interact. energy: -0.170
local terms energy: -43.783452
where:
bonds (distance) C4'-P energy: -11.563
bonds (distance) P-C4' energy: -10.792
flat angles C4'-P-C4' energy: -9.778
flat angles P-C4'-P energy: -3.056
tors. eta vs tors. theta energy: -8.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -60.704044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.704044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.704044 (E_RNA)
where:
Base-Base interactions energy: -17.057
where: short stacking energy: -17.057
Base-Backbone interact. energy: -0.156
local terms energy: -43.491327
where:
bonds (distance) C4'-P energy: -9.163
bonds (distance) P-C4' energy: -13.562
flat angles C4'-P-C4' energy: -10.295
flat angles P-C4'-P energy: -4.830
tors. eta vs tors. theta energy: -5.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -67.267651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.267651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.267651 (E_RNA)
where:
Base-Base interactions energy: -25.773
where: short stacking energy: -23.611
Base-Backbone interact. energy: -0.187
local terms energy: -41.306831
where:
bonds (distance) C4'-P energy: -8.868
bonds (distance) P-C4' energy: -11.161
flat angles C4'-P-C4' energy: -10.670
flat angles P-C4'-P energy: -5.680
tors. eta vs tors. theta energy: -4.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -60.327861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.327861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.327861 (E_RNA)
where:
Base-Base interactions energy: -20.824
where: short stacking energy: -16.516
Base-Backbone interact. energy: 0.352
local terms energy: -39.855874
where:
bonds (distance) C4'-P energy: -9.465
bonds (distance) P-C4' energy: -10.321
flat angles C4'-P-C4' energy: -8.450
flat angles P-C4'-P energy: -6.761
tors. eta vs tors. theta energy: -4.859
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: 1
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -58.116223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.116223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.116223 (E_RNA)
where:
Base-Base interactions energy: -21.060
where: short stacking energy: -15.755
Base-Backbone interact. energy: 0.083
local terms energy: -37.139392
where:
bonds (distance) C4'-P energy: -11.054
bonds (distance) P-C4' energy: -11.578
flat angles C4'-P-C4' energy: -6.939
flat angles P-C4'-P energy: -4.755
tors. eta vs tors. theta energy: -2.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -142.923605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.923605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.923605 (E_RNA)
where:
Base-Base interactions energy: -89.441
where: short stacking energy: -30.424
Base-Backbone interact. energy: -0.631
local terms energy: -52.851503
where:
bonds (distance) C4'-P energy: -13.670
bonds (distance) P-C4' energy: -9.553
flat angles C4'-P-C4' energy: -10.055
flat angles P-C4'-P energy: -8.637
tors. eta vs tors. theta energy: -10.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -155.531131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.531131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.531131 (E_RNA)
where:
Base-Base interactions energy: -100.470
where: short stacking energy: -45.092
Base-Backbone interact. energy: -0.002
local terms energy: -55.059068
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -11.317
flat angles C4'-P-C4' energy: -7.319
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -13.690
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: 8
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -151.358679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.358679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.358679 (E_RNA)
where:
Base-Base interactions energy: -100.754
where: short stacking energy: -42.137
Base-Backbone interact. energy: -0.418
local terms energy: -50.186659
where:
bonds (distance) C4'-P energy: -9.402
bonds (distance) P-C4' energy: -9.848
flat angles C4'-P-C4' energy: -11.922
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -11.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -134.975719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.975719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.975719 (E_RNA)
where:
Base-Base interactions energy: -86.786
where: short stacking energy: -36.786
Base-Backbone interact. energy: -0.300
local terms energy: -47.890022
where:
bonds (distance) C4'-P energy: -6.731
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -11.385
flat angles P-C4'-P energy: -5.539
tors. eta vs tors. theta energy: -11.809
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: 5
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -127.621157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.621157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.621157 (E_RNA)
where:
Base-Base interactions energy: -79.162
where: short stacking energy: -28.703
Base-Backbone interact. energy: -0.123
local terms energy: -48.335747
where:
bonds (distance) C4'-P energy: -12.394
bonds (distance) P-C4' energy: -9.595
flat angles C4'-P-C4' energy: -10.974
flat angles P-C4'-P energy: -4.933
tors. eta vs tors. theta energy: -10.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -127.683793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.683793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.683793 (E_RNA)
where:
Base-Base interactions energy: -76.070
where: short stacking energy: -31.577
Base-Backbone interact. energy: -0.523
local terms energy: -51.090292
where:
bonds (distance) C4'-P energy: -10.855
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -6.301
tors. eta vs tors. theta energy: -10.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -83.313663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.313663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.313663 (E_RNA)
where:
Base-Base interactions energy: -37.783
where: short stacking energy: -12.833
Base-Backbone interact. energy: -0.111
local terms energy: -45.420000
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -9.393
flat angles C4'-P-C4' energy: -10.518
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -3.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -57.316059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.316059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.316059 (E_RNA)
where:
Base-Base interactions energy: -18.886
where: short stacking energy: -18.886
Base-Backbone interact. energy: -0.020
local terms energy: -38.410293
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -7.199
flat angles P-C4'-P energy: -4.389
tors. eta vs tors. theta energy: -1.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -61.159592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.159592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.159592 (E_RNA)
where:
Base-Base interactions energy: -19.498
where: short stacking energy: -19.498
Base-Backbone interact. energy: 1.784
local terms energy: -43.445316
where:
bonds (distance) C4'-P energy: -9.887
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -8.936
flat angles P-C4'-P energy: -7.661
tors. eta vs tors. theta energy: -4.072
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: 3
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -62.577260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.577260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.577260 (E_RNA)
where:
Base-Base interactions energy: -40.940
where: short stacking energy: -15.998
Base-Backbone interact. energy: 1.912
local terms energy: -23.549649
where:
bonds (distance) C4'-P energy: -3.460
bonds (distance) P-C4' energy: -2.849
flat angles C4'-P-C4' energy: -11.845
flat angles P-C4'-P energy: -1.315
tors. eta vs tors. theta energy: -4.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -156.708317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.708317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.708317 (E_RNA)
where:
Base-Base interactions energy: -103.386
where: short stacking energy: -42.060
Base-Backbone interact. energy: -0.209
local terms energy: -53.112462
where:
bonds (distance) C4'-P energy: -10.970
bonds (distance) P-C4' energy: -12.102
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -5.821
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: 2, replica: 9
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -153.090440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.090440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.090440 (E_RNA)
where:
Base-Base interactions energy: -100.359
where: short stacking energy: -40.038
Base-Backbone interact. energy: 0.035
local terms energy: -52.766145
where:
bonds (distance) C4'-P energy: -9.775
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -10.355
flat angles P-C4'-P energy: -8.240
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: 3, replica: 8
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -137.958492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.958492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.958492 (E_RNA)
where:
Base-Base interactions energy: -91.967
where: short stacking energy: -27.629
Base-Backbone interact. energy: -0.091
local terms energy: -45.900438
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -7.394
flat angles P-C4'-P energy: -7.246
tors. eta vs tors. theta energy: -5.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -145.388463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.388463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.388463 (E_RNA)
where:
Base-Base interactions energy: -93.066
where: short stacking energy: -30.568
Base-Backbone interact. energy: -0.125
local terms energy: -52.197264
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -11.907
flat angles P-C4'-P energy: -3.501
tors. eta vs tors. theta energy: -10.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -137.036755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.036755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.036755 (E_RNA)
where:
Base-Base interactions energy: -86.057
where: short stacking energy: -39.592
Base-Backbone interact. energy: -0.155
local terms energy: -50.824633
where:
bonds (distance) C4'-P energy: -8.036
bonds (distance) P-C4' energy: -11.991
flat angles C4'-P-C4' energy: -10.847
flat angles P-C4'-P energy: -7.117
tors. eta vs tors. theta energy: -12.834
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: 4
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -138.314639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.314639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.314639 (E_RNA)
where:
Base-Base interactions energy: -84.026
where: short stacking energy: -38.697
Base-Backbone interact. energy: -0.005
local terms energy: -54.283437
where:
bonds (distance) C4'-P energy: -9.612
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -7.254
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: 2
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -70.559681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.559681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.559681 (E_RNA)
where:
Base-Base interactions energy: -27.307
where: short stacking energy: -15.829
Base-Backbone interact. energy: -0.081
local terms energy: -43.172034
where:
bonds (distance) C4'-P energy: -11.451
bonds (distance) P-C4' energy: -9.659
flat angles C4'-P-C4' energy: -10.740
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -2.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -56.487958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.487958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.487958 (E_RNA)
where:
Base-Base interactions energy: -16.370
where: short stacking energy: -10.083
Base-Backbone interact. energy: -0.250
local terms energy: -39.868637
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -3.345
tors. eta vs tors. theta energy: 0.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -64.755674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.755674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.755674 (E_RNA)
where:
Base-Base interactions energy: -21.659
where: short stacking energy: -21.599
Base-Backbone interact. energy: -0.028
local terms energy: -43.068400
where:
bonds (distance) C4'-P energy: -10.829
bonds (distance) P-C4' energy: -13.468
flat angles C4'-P-C4' energy: -9.205
flat angles P-C4'-P energy: -4.178
tors. eta vs tors. theta energy: -5.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -63.162086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.162086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.162086 (E_RNA)
where:
Base-Base interactions energy: -26.883
where: short stacking energy: -17.407
Base-Backbone interact. energy: -0.777
local terms energy: -35.502556
where:
bonds (distance) C4'-P energy: -8.118
bonds (distance) P-C4' energy: -4.936
flat angles C4'-P-C4' energy: -7.394
flat angles P-C4'-P energy: -7.444
tors. eta vs tors. theta energy: -7.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -154.657857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.657857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.657857 (E_RNA)
where:
Base-Base interactions energy: -102.769
where: short stacking energy: -41.649
Base-Backbone interact. energy: -0.767
local terms energy: -51.122733
where:
bonds (distance) C4'-P energy: -11.815
bonds (distance) P-C4' energy: -11.034
flat angles C4'-P-C4' energy: -11.088
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: -9.476
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: 6
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -150.233679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.233679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.233679 (E_RNA)
where:
Base-Base interactions energy: -97.449
where: short stacking energy: -40.771
Base-Backbone interact. energy: -0.004
local terms energy: -52.780343
where:
bonds (distance) C4'-P energy: -8.209
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -11.365
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -11.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -131.749646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.749646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.749646 (E_RNA)
where:
Base-Base interactions energy: -80.139
where: short stacking energy: -36.033
Base-Backbone interact. energy: 2.491
local terms energy: -54.101340
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -11.369
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -7.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -146.018042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.018042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.018042 (E_RNA)
where:
Base-Base interactions energy: -97.541
where: short stacking energy: -39.591
Base-Backbone interact. energy: 0.394
local terms energy: -48.871389
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -9.227
flat angles C4'-P-C4' energy: -8.488
flat angles P-C4'-P energy: -8.102
tors. eta vs tors. theta energy: -9.454
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: 4
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -132.203412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.203412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.203412 (E_RNA)
where:
Base-Base interactions energy: -84.891
where: short stacking energy: -34.208
Base-Backbone interact. energy: -0.073
local terms energy: -47.240285
where:
bonds (distance) C4'-P energy: -8.184
bonds (distance) P-C4' energy: -12.147
flat angles C4'-P-C4' energy: -11.406
flat angles P-C4'-P energy: -4.121
tors. eta vs tors. theta energy: -11.382
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: 10
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -122.728805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.728805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.728805 (E_RNA)
where:
Base-Base interactions energy: -84.076
where: short stacking energy: -30.972
Base-Backbone interact. energy: -0.120
local terms energy: -38.532933
where:
bonds (distance) C4'-P energy: -9.054
bonds (distance) P-C4' energy: -10.852
flat angles C4'-P-C4' energy: -5.922
flat angles P-C4'-P energy: -5.481
tors. eta vs tors. theta energy: -7.224
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: 1
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -65.161622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.161622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.161622 (E_RNA)
where:
Base-Base interactions energy: -28.494
where: short stacking energy: -18.518
Base-Backbone interact. energy: -0.098
local terms energy: -36.569135
where:
bonds (distance) C4'-P energy: -11.568
bonds (distance) P-C4' energy: -10.691
flat angles C4'-P-C4' energy: -10.546
flat angles P-C4'-P energy: -5.959
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: 8, replica: 2
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -70.666794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.666794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.666794 (E_RNA)
where:
Base-Base interactions energy: -27.087
where: short stacking energy: -16.352
Base-Backbone interact. energy: -0.287
local terms energy: -43.292583
where:
bonds (distance) C4'-P energy: -11.621
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -10.568
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: -1.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -55.349456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.349456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.349456 (E_RNA)
where:
Base-Base interactions energy: -21.503
where: short stacking energy: -18.112
Base-Backbone interact. energy: -0.236
local terms energy: -33.610023
where:
bonds (distance) C4'-P energy: -11.513
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -10.890
flat angles P-C4'-P energy: -0.520
tors. eta vs tors. theta energy: 1.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -58.567450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.567450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.567450 (E_RNA)
where:
Base-Base interactions energy: -19.432
where: short stacking energy: -13.157
Base-Backbone interact. energy: -0.093
local terms energy: -39.042472
where:
bonds (distance) C4'-P energy: -8.384
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: 1.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -155.955829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.955829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.955829 (E_RNA)
where:
Base-Base interactions energy: -100.829
where: short stacking energy: -47.111
Base-Backbone interact. energy: -0.001
local terms energy: -55.125959
where:
bonds (distance) C4'-P energy: -10.626
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -4.327
tors. eta vs tors. theta energy: -13.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -142.084856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.084856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.084856 (E_RNA)
where:
Base-Base interactions energy: -92.523
where: short stacking energy: -35.775
Base-Backbone interact. energy: -0.095
local terms energy: -49.466738
where:
bonds (distance) C4'-P energy: -11.828
bonds (distance) P-C4' energy: -10.780
flat angles C4'-P-C4' energy: -11.438
flat angles P-C4'-P energy: -4.221
tors. eta vs tors. theta energy: -11.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -137.240799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.240799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.240799 (E_RNA)
where:
Base-Base interactions energy: -90.739
where: short stacking energy: -29.214
Base-Backbone interact. energy: -0.245
local terms energy: -46.256638
where:
bonds (distance) C4'-P energy: -12.801
bonds (distance) P-C4' energy: -9.919
flat angles C4'-P-C4' energy: -11.457
flat angles P-C4'-P energy: -5.010
tors. eta vs tors. theta energy: -7.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -139.812545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.812545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.812545 (E_RNA)
where:
Base-Base interactions energy: -88.151
where: short stacking energy: -26.598
Base-Backbone interact. energy: -0.064
local terms energy: -51.597658
where:
bonds (distance) C4'-P energy: -11.033
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -11.287
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -6.106
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: 8
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -141.114634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.114634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.114634 (E_RNA)
where:
Base-Base interactions energy: -99.986
where: short stacking energy: -39.764
Base-Backbone interact. energy: 0.141
local terms energy: -41.270282
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -9.032
flat angles C4'-P-C4' energy: -9.247
flat angles P-C4'-P energy: -1.894
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: 6, replica: 10
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -124.937584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.937584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.937584 (E_RNA)
where:
Base-Base interactions energy: -74.540
where: short stacking energy: -27.615
Base-Backbone interact. energy: -0.159
local terms energy: -50.238269
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -10.419
flat angles P-C4'-P energy: -6.213
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: 7, replica: 1
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -62.908323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.908323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.908323 (E_RNA)
where:
Base-Base interactions energy: -26.860
where: short stacking energy: -19.013
Base-Backbone interact. energy: -0.061
local terms energy: -35.987593
where:
bonds (distance) C4'-P energy: -10.477
bonds (distance) P-C4' energy: -9.960
flat angles C4'-P-C4' energy: -5.529
flat angles P-C4'-P energy: -4.557
tors. eta vs tors. theta energy: -5.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -71.012276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.012276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.012276 (E_RNA)
where:
Base-Base interactions energy: -23.137
where: short stacking energy: -15.672
Base-Backbone interact. energy: -0.100
local terms energy: -47.775138
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -13.040
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -7.200
tors. eta vs tors. theta energy: -5.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -58.646166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.646166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.646166 (E_RNA)
where:
Base-Base interactions energy: -20.330
where: short stacking energy: -20.330
Base-Backbone interact. energy: -0.003
local terms energy: -38.313950
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -8.084
flat angles P-C4'-P energy: -5.776
tors. eta vs tors. theta energy: -0.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -57.843590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.843590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.843590 (E_RNA)
where:
Base-Base interactions energy: -27.586
where: short stacking energy: -13.881
Base-Backbone interact. energy: -0.226
local terms energy: -30.031146
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -4.182
flat angles C4'-P-C4' energy: -4.190
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: 2.008
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: 5
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -152.874152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.874152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.874152 (E_RNA)
where:
Base-Base interactions energy: -94.591
where: short stacking energy: -38.519
Base-Backbone interact. energy: -0.001
local terms energy: -58.282982
where:
bonds (distance) C4'-P energy: -10.440
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -10.347
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -14.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -147.820081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.820081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.820081 (E_RNA)
where:
Base-Base interactions energy: -98.197
where: short stacking energy: -37.139
Base-Backbone interact. energy: -0.159
local terms energy: -49.463765
where:
bonds (distance) C4'-P energy: -8.835
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -12.185
flat angles P-C4'-P energy: -2.395
tors. eta vs tors. theta energy: -13.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -141.004014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.004014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.004014 (E_RNA)
where:
Base-Base interactions energy: -92.744
where: short stacking energy: -36.849
Base-Backbone interact. energy: -0.046
local terms energy: -48.214688
where:
bonds (distance) C4'-P energy: -9.373
bonds (distance) P-C4' energy: -11.971
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -3.868
tors. eta vs tors. theta energy: -10.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -134.050821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.050821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.050821 (E_RNA)
where:
Base-Base interactions energy: -87.469
where: short stacking energy: -39.880
Base-Backbone interact. energy: 0.334
local terms energy: -46.915302
where:
bonds (distance) C4'-P energy: -10.155
bonds (distance) P-C4' energy: -10.387
flat angles C4'-P-C4' energy: -8.079
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: -10.961
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: 10
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -130.787218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.787218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.787218 (E_RNA)
where:
Base-Base interactions energy: -80.137
where: short stacking energy: -28.691
Base-Backbone interact. energy: -0.004
local terms energy: -50.646360
where:
bonds (distance) C4'-P energy: -12.573
bonds (distance) P-C4' energy: -9.716
flat angles C4'-P-C4' energy: -10.788
flat angles P-C4'-P energy: -6.165
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: 8
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -132.955025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.955025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.955025 (E_RNA)
where:
Base-Base interactions energy: -86.579
where: short stacking energy: -41.350
Base-Backbone interact. energy: -0.045
local terms energy: -46.331746
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -12.543
flat angles C4'-P-C4' energy: -9.090
flat angles P-C4'-P energy: -4.850
tors. eta vs tors. theta energy: -7.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -100.230566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.230566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.230566 (E_RNA)
where:
Base-Base interactions energy: -61.811
where: short stacking energy: -19.548
Base-Backbone interact. energy: -0.305
local terms energy: -38.114737
where:
bonds (distance) C4'-P energy: -11.948
bonds (distance) P-C4' energy: -9.612
flat angles C4'-P-C4' energy: -10.426
flat angles P-C4'-P energy: -6.233
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: 8, replica: 1
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -57.316157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.316157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.316157 (E_RNA)
where:
Base-Base interactions energy: -16.527
where: short stacking energy: -16.072
Base-Backbone interact. energy: -0.040
local terms energy: -40.749225
where:
bonds (distance) C4'-P energy: -9.899
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -9.563
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -0.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -61.641579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.641579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.641579 (E_RNA)
where:
Base-Base interactions energy: -19.810
where: short stacking energy: -6.328
Base-Backbone interact. energy: 0.231
local terms energy: -42.062465
where:
bonds (distance) C4'-P energy: -10.151
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: -0.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -54.540337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.540337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.540337 (E_RNA)
where:
Base-Base interactions energy: -14.154
where: short stacking energy: -6.514
Base-Backbone interact. energy: -0.187
local terms energy: -40.199467
where:
bonds (distance) C4'-P energy: -10.209
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -10.964
flat angles P-C4'-P energy: -5.863
tors. eta vs tors. theta energy: -0.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -158.490865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.490865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.490865 (E_RNA)
where:
Base-Base interactions energy: -103.123
where: short stacking energy: -38.030
Base-Backbone interact. energy: -0.371
local terms energy: -54.997257
where:
bonds (distance) C4'-P energy: -10.871
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -11.247
flat angles P-C4'-P energy: -5.120
tors. eta vs tors. theta energy: -13.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -155.522956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.522956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.522956 (E_RNA)
where:
Base-Base interactions energy: -102.661
where: short stacking energy: -43.858
Base-Backbone interact. energy: -0.059
local terms energy: -52.803312
where:
bonds (distance) C4'-P energy: -10.413
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -11.336
flat angles P-C4'-P energy: -6.258
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: 3, replica: 9
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -133.374542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.374542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.374542 (E_RNA)
where:
Base-Base interactions energy: -88.357
where: short stacking energy: -34.598
Base-Backbone interact. energy: -0.030
local terms energy: -44.986856
where:
bonds (distance) C4'-P energy: -12.092
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -9.190
flat angles P-C4'-P energy: -4.497
tors. eta vs tors. theta energy: -6.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -138.709469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.709469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.709469 (E_RNA)
where:
Base-Base interactions energy: -88.665
where: short stacking energy: -39.400
Base-Backbone interact. energy: -0.702
local terms energy: -49.342068
where:
bonds (distance) C4'-P energy: -10.139
bonds (distance) P-C4' energy: -9.305
flat angles C4'-P-C4' energy: -11.108
flat angles P-C4'-P energy: -6.352
tors. eta vs tors. theta energy: -12.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -124.134483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.134483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.134483 (E_RNA)
where:
Base-Base interactions energy: -73.097
where: short stacking energy: -32.635
Base-Backbone interact. energy: -0.005
local terms energy: -51.031788
where:
bonds (distance) C4'-P energy: -11.815
bonds (distance) P-C4' energy: -9.319
flat angles C4'-P-C4' energy: -11.652
flat angles P-C4'-P energy: -5.939
tors. eta vs tors. theta energy: -12.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -136.219244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.219244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.219244 (E_RNA)
where:
Base-Base interactions energy: -84.512
where: short stacking energy: -33.787
Base-Backbone interact. energy: -0.470
local terms energy: -51.237409
where:
bonds (distance) C4'-P energy: -11.509
bonds (distance) P-C4' energy: -11.225
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: -9.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -92.592829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.592829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.592829 (E_RNA)
where:
Base-Base interactions energy: -61.573
where: short stacking energy: -21.196
Base-Backbone interact. energy: 1.887
local terms energy: -32.907331
where:
bonds (distance) C4'-P energy: -9.804
bonds (distance) P-C4' energy: -8.521
flat angles C4'-P-C4' energy: -7.046
flat angles P-C4'-P energy: -4.680
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: 8, replica: 7
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -63.365747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.365747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.365747 (E_RNA)
where:
Base-Base interactions energy: -20.574
where: short stacking energy: -15.618
Base-Backbone interact. energy: -0.190
local terms energy: -42.601753
where:
bonds (distance) C4'-P energy: -9.286
bonds (distance) P-C4' energy: -9.964
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: 0.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -54.762251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.762251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.762251 (E_RNA)
where:
Base-Base interactions energy: -17.011
where: short stacking energy: -13.790
Base-Backbone interact. energy: -1.404
local terms energy: -36.346690
where:
bonds (distance) C4'-P energy: -10.697
bonds (distance) P-C4' energy: -11.707
flat angles C4'-P-C4' energy: -6.269
flat angles P-C4'-P energy: -7.023
tors. eta vs tors. theta energy: -0.650
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: 2
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -58.912905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.912905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.912905 (E_RNA)
where:
Base-Base interactions energy: -19.883
where: short stacking energy: -19.883
Base-Backbone interact. energy: -0.005
local terms energy: -39.025217
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -10.627
flat angles C4'-P-C4' energy: -6.687
flat angles P-C4'-P energy: -6.110
tors. eta vs tors. theta energy: -2.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -161.279643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.279643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.279643 (E_RNA)
where:
Base-Base interactions energy: -107.451
where: short stacking energy: -39.804
Base-Backbone interact. energy: -0.426
local terms energy: -53.403177
where:
bonds (distance) C4'-P energy: -13.227
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -7.919
flat angles P-C4'-P energy: -5.976
tors. eta vs tors. theta energy: -12.561
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: 2, replica: 5
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -150.695541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.695541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.695541 (E_RNA)
where:
Base-Base interactions energy: -104.364
where: short stacking energy: -37.334
Base-Backbone interact. energy: -0.007
local terms energy: -46.324345
where:
bonds (distance) C4'-P energy: -11.211
bonds (distance) P-C4' energy: -8.170
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -6.794
tors. eta vs tors. theta energy: -8.348
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: 6
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -139.808301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.808301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.808301 (E_RNA)
where:
Base-Base interactions energy: -87.523
where: short stacking energy: -40.952
Base-Backbone interact. energy: -0.040
local terms energy: -52.245379
where:
bonds (distance) C4'-P energy: -9.460
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -12.436
flat angles P-C4'-P energy: -5.525
tors. eta vs tors. theta energy: -11.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -127.792387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.792387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.792387 (E_RNA)
where:
Base-Base interactions energy: -80.676
where: short stacking energy: -35.203
Base-Backbone interact. energy: -0.030
local terms energy: -47.086907
where:
bonds (distance) C4'-P energy: -11.335
bonds (distance) P-C4' energy: -9.583
flat angles C4'-P-C4' energy: -11.070
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -4.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -118.598864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.598864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.598864 (E_RNA)
where:
Base-Base interactions energy: -66.979
where: short stacking energy: -30.593
Base-Backbone interact. energy: 2.937
local terms energy: -54.557072
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -11.190
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -9.362
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: 10
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -82.395862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.395862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.395862 (E_RNA)
where:
Base-Base interactions energy: -44.391
where: short stacking energy: -25.137
Base-Backbone interact. energy: -0.033
local terms energy: -37.971684
where:
bonds (distance) C4'-P energy: -10.202
bonds (distance) P-C4' energy: -6.433
flat angles C4'-P-C4' energy: -11.380
flat angles P-C4'-P energy: -9.682
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: 7, replica: 7
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -70.500163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.500163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.500163 (E_RNA)
where:
Base-Base interactions energy: -32.356
where: short stacking energy: -7.607
Base-Backbone interact. energy: -0.021
local terms energy: -38.122415
where:
bonds (distance) C4'-P energy: -9.008
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -7.890
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: -0.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -61.742122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.742122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.742122 (E_RNA)
where:
Base-Base interactions energy: -33.905
where: short stacking energy: -13.455
Base-Backbone interact. energy: 0.170
local terms energy: -28.006406
where:
bonds (distance) C4'-P energy: -8.599
bonds (distance) P-C4' energy: -7.989
flat angles C4'-P-C4' energy: -7.000
flat angles P-C4'-P energy: -4.799
tors. eta vs tors. theta energy: 0.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -53.799170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.799170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.799170 (E_RNA)
where:
Base-Base interactions energy: -17.571
where: short stacking energy: -8.841
Base-Backbone interact. energy: -0.013
local terms energy: -36.215301
where:
bonds (distance) C4'-P energy: -13.252
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -7.441
flat angles P-C4'-P energy: -3.105
tors. eta vs tors. theta energy: -0.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -65.240570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.240570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.240570 (E_RNA)
where:
Base-Base interactions energy: -35.458
where: short stacking energy: -15.423
Base-Backbone interact. energy: -0.195
local terms energy: -29.587978
where:
bonds (distance) C4'-P energy: -7.742
bonds (distance) P-C4' energy: -7.988
flat angles C4'-P-C4' energy: -5.791
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: 0.123
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: 1, replica: 4
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -151.172573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.172573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.172573 (E_RNA)
where:
Base-Base interactions energy: -97.363
where: short stacking energy: -35.766
Base-Backbone interact. energy: -0.398
local terms energy: -53.411935
where:
bonds (distance) C4'-P energy: -12.097
bonds (distance) P-C4' energy: -11.038
flat angles C4'-P-C4' energy: -8.980
flat angles P-C4'-P energy: -9.009
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: 2, replica: 5
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -144.450275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.450275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.450275 (E_RNA)
where:
Base-Base interactions energy: -86.430
where: short stacking energy: -33.244
Base-Backbone interact. energy: -0.006
local terms energy: -58.014431
where:
bonds (distance) C4'-P energy: -13.020
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -12.200
flat angles P-C4'-P energy: -7.545
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: 3, replica: 6
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -139.322847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.322847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.322847 (E_RNA)
where:
Base-Base interactions energy: -84.833
where: short stacking energy: -34.190
Base-Backbone interact. energy: -0.131
local terms energy: -54.358470
where:
bonds (distance) C4'-P energy: -10.117
bonds (distance) P-C4' energy: -12.091
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -8.221
tors. eta vs tors. theta energy: -10.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -131.300213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.300213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.300213 (E_RNA)
where:
Base-Base interactions energy: -81.870
where: short stacking energy: -34.609
Base-Backbone interact. energy: -0.103
local terms energy: -49.327513
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -9.107
flat angles C4'-P-C4' energy: -10.068
flat angles P-C4'-P energy: -9.431
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: 5, replica: 8
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -137.081350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.081350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.081350 (E_RNA)
where:
Base-Base interactions energy: -95.451
where: short stacking energy: -38.192
Base-Backbone interact. energy: -0.038
local terms energy: -41.593141
where:
bonds (distance) C4'-P energy: -9.749
bonds (distance) P-C4' energy: -7.990
flat angles C4'-P-C4' energy: -9.314
flat angles P-C4'-P energy: -5.660
tors. eta vs tors. theta energy: -8.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -101.353079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.353079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.353079 (E_RNA)
where:
Base-Base interactions energy: -60.249
where: short stacking energy: -34.708
Base-Backbone interact. energy: -0.975
local terms energy: -40.129223
where:
bonds (distance) C4'-P energy: -4.592
bonds (distance) P-C4' energy: -11.138
flat angles C4'-P-C4' energy: -9.140
flat angles P-C4'-P energy: -3.957
tors. eta vs tors. theta energy: -11.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -61.291876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.291876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.291876 (E_RNA)
where:
Base-Base interactions energy: -23.989
where: short stacking energy: -12.528
Base-Backbone interact. energy: -0.005
local terms energy: -37.297413
where:
bonds (distance) C4'-P energy: -12.009
bonds (distance) P-C4' energy: -12.028
flat angles C4'-P-C4' energy: -3.609
flat angles P-C4'-P energy: -7.161
tors. eta vs tors. theta energy: -2.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -60.744824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.744824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.744824 (E_RNA)
where:
Base-Base interactions energy: -17.686
where: short stacking energy: -17.686
Base-Backbone interact. energy: -0.122
local terms energy: -42.937082
where:
bonds (distance) C4'-P energy: -12.586
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -9.976
flat angles P-C4'-P energy: -4.506
tors. eta vs tors. theta energy: -3.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -71.126265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.126265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.126265 (E_RNA)
where:
Base-Base interactions energy: -38.701
where: short stacking energy: -15.379
Base-Backbone interact. energy: -0.205
local terms energy: -32.220909
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -2.918
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: 2.884
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: 1
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -57.833855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.833855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.833855 (E_RNA)
where:
Base-Base interactions energy: -23.448
where: short stacking energy: -20.816
Base-Backbone interact. energy: -0.142
local terms energy: -34.244299
where:
bonds (distance) C4'-P energy: -8.354
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -1.412
flat angles P-C4'-P energy: -9.419
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: 4
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -150.689358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.689358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.689358 (E_RNA)
where:
Base-Base interactions energy: -99.367
where: short stacking energy: -33.896
Base-Backbone interact. energy: -0.020
local terms energy: -51.302687
where:
bonds (distance) C4'-P energy: -11.125
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -11.255
flat angles P-C4'-P energy: -5.621
tors. eta vs tors. theta energy: -12.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -154.622306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.622306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.622306 (E_RNA)
where:
Base-Base interactions energy: -100.664
where: short stacking energy: -43.364
Base-Backbone interact. energy: -0.136
local terms energy: -53.822251
where:
bonds (distance) C4'-P energy: -11.886
bonds (distance) P-C4' energy: -9.858
flat angles C4'-P-C4' energy: -10.915
flat angles P-C4'-P energy: -8.005
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: 3, replica: 9
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -139.477470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.477470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.477470 (E_RNA)
where:
Base-Base interactions energy: -91.135
where: short stacking energy: -39.281
Base-Backbone interact. energy: -0.005
local terms energy: -48.337913
where:
bonds (distance) C4'-P energy: -7.357
bonds (distance) P-C4' energy: -8.566
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -7.428
tors. eta vs tors. theta energy: -11.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -144.895285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.895285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.895285 (E_RNA)
where:
Base-Base interactions energy: -88.560
where: short stacking energy: -34.488
Base-Backbone interact. energy: -0.069
local terms energy: -56.266494
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -11.863
flat angles C4'-P-C4' energy: -9.709
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: -13.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -132.088882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.088882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.088882 (E_RNA)
where:
Base-Base interactions energy: -87.393
where: short stacking energy: -27.071
Base-Backbone interact. energy: -0.086
local terms energy: -44.610275
where:
bonds (distance) C4'-P energy: -10.343
bonds (distance) P-C4' energy: -11.157
flat angles C4'-P-C4' energy: -11.291
flat angles P-C4'-P energy: -6.255
tors. eta vs tors. theta energy: -5.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -104.651786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.651786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.651786 (E_RNA)
where:
Base-Base interactions energy: -63.350
where: short stacking energy: -21.246
Base-Backbone interact. energy: -0.268
local terms energy: -41.033334
where:
bonds (distance) C4'-P energy: -9.232
bonds (distance) P-C4' energy: -10.499
flat angles C4'-P-C4' energy: -9.385
flat angles P-C4'-P energy: -8.434
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: 7, replica: 2
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -62.840961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.840961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.840961 (E_RNA)
where:
Base-Base interactions energy: -22.743
where: short stacking energy: -19.870
Base-Backbone interact. energy: -0.016
local terms energy: -40.082757
where:
bonds (distance) C4'-P energy: -11.170
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -8.616
flat angles P-C4'-P energy: -5.451
tors. eta vs tors. theta energy: -1.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -89.730670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.730670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.730670 (E_RNA)
where:
Base-Base interactions energy: -48.008
where: short stacking energy: -16.981
Base-Backbone interact. energy: -0.613
local terms energy: -41.109686
where:
bonds (distance) C4'-P energy: -7.460
bonds (distance) P-C4' energy: -11.430
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -8.108
tors. eta vs tors. theta energy: -0.189
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: 1
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -62.801913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.801913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.801913 (E_RNA)
where:
Base-Base interactions energy: -24.885
where: short stacking energy: -17.689
Base-Backbone interact. energy: 0.288
local terms energy: -38.204952
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -11.371
flat angles P-C4'-P energy: -3.169
tors. eta vs tors. theta energy: -2.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -57.535471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.535471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.535471 (E_RNA)
where:
Base-Base interactions energy: -22.910
where: short stacking energy: -7.137
Base-Backbone interact. energy: -0.073
local terms energy: -34.552572
where:
bonds (distance) C4'-P energy: -8.512
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -11.779
flat angles P-C4'-P energy: -2.162
tors. eta vs tors. theta energy: 0.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -157.198564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.198564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.198564 (E_RNA)
where:
Base-Base interactions energy: -105.168
where: short stacking energy: -39.178
Base-Backbone interact. energy: -0.069
local terms energy: -51.962096
where:
bonds (distance) C4'-P energy: -12.449
bonds (distance) P-C4' energy: -9.751
flat angles C4'-P-C4' energy: -10.980
flat angles P-C4'-P energy: -6.430
tors. eta vs tors. theta energy: -12.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -157.467789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.467789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.467789 (E_RNA)
where:
Base-Base interactions energy: -102.282
where: short stacking energy: -39.937
Base-Backbone interact. energy: -0.019
local terms energy: -55.167045
where:
bonds (distance) C4'-P energy: -9.514
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -7.393
tors. eta vs tors. theta energy: -13.723
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: 5
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -150.179301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.179301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.179301 (E_RNA)
where:
Base-Base interactions energy: -99.338
where: short stacking energy: -39.596
Base-Backbone interact. energy: -0.086
local terms energy: -50.755410
where:
bonds (distance) C4'-P energy: -9.075
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -11.873
flat angles P-C4'-P energy: -5.441
tors. eta vs tors. theta energy: -11.316
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: 6
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -140.365378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.365378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.365378 (E_RNA)
where:
Base-Base interactions energy: -93.190
where: short stacking energy: -31.042
Base-Backbone interact. energy: -0.024
local terms energy: -47.151058
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -9.277
flat angles C4'-P-C4' energy: -12.640
flat angles P-C4'-P energy: -3.893
tors. eta vs tors. theta energy: -9.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -87.946056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.946056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.946056 (E_RNA)
where:
Base-Base interactions energy: -43.963
where: short stacking energy: -9.401
Base-Backbone interact. energy: -0.402
local terms energy: -43.580162
where:
bonds (distance) C4'-P energy: -13.575
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -9.767
flat angles P-C4'-P energy: -6.184
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: 6, replica: 10
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -79.274987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.274987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.274987 (E_RNA)
where:
Base-Base interactions energy: -41.659
where: short stacking energy: -15.120
Base-Backbone interact. energy: -0.124
local terms energy: -37.492034
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -9.554
flat angles C4'-P-C4' energy: -11.336
flat angles P-C4'-P energy: -4.405
tors. eta vs tors. theta energy: -0.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -93.308645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.308645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.308645 (E_RNA)
where:
Base-Base interactions energy: -57.797
where: short stacking energy: -23.294
Base-Backbone interact. energy: -0.042
local terms energy: -35.469651
where:
bonds (distance) C4'-P energy: -4.187
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -9.680
flat angles P-C4'-P energy: -3.143
tors. eta vs tors. theta energy: -4.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -71.145656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.145656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.145656 (E_RNA)
where:
Base-Base interactions energy: -42.498
where: short stacking energy: -21.923
Base-Backbone interact. energy: -0.071
local terms energy: -28.576394
where:
bonds (distance) C4'-P energy: -2.128
bonds (distance) P-C4' energy: -7.805
flat angles C4'-P-C4' energy: -8.834
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -1.337
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: 7
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -59.268292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.268292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.268292 (E_RNA)
where:
Base-Base interactions energy: -20.935
where: short stacking energy: -9.488
Base-Backbone interact. energy: -0.191
local terms energy: -38.142626
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -9.494
flat angles P-C4'-P energy: -4.239
tors. eta vs tors. theta energy: 1.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -54.493318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.493318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.493318 (E_RNA)
where:
Base-Base interactions energy: -21.088
where: short stacking energy: -17.321
Base-Backbone interact. energy: -0.546
local terms energy: -32.859778
where:
bonds (distance) C4'-P energy: -9.945
bonds (distance) P-C4' energy: -5.402
flat angles C4'-P-C4' energy: -10.595
flat angles P-C4'-P energy: -3.449
tors. eta vs tors. theta energy: -3.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -150.679468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.679468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.679468 (E_RNA)
where:
Base-Base interactions energy: -94.191
where: short stacking energy: -41.255
Base-Backbone interact. energy: -0.064
local terms energy: -56.424357
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -12.696
flat angles C4'-P-C4' energy: -11.291
flat angles P-C4'-P energy: -6.375
tors. eta vs tors. theta energy: -14.756
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: 270
Temperature: 0.950000
Total energy: -143.504700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.504700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.504700 (E_RNA)
where:
Base-Base interactions energy: -82.652
where: short stacking energy: -37.864
Base-Backbone interact. energy: -0.000
local terms energy: -60.852114
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -13.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -143.864194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.864194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.864194 (E_RNA)
where:
Base-Base interactions energy: -93.783
where: short stacking energy: -38.399
Base-Backbone interact. energy: -0.069
local terms energy: -50.012243
where:
bonds (distance) C4'-P energy: -11.152
bonds (distance) P-C4' energy: -9.679
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -6.352
tors. eta vs tors. theta energy: -10.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -143.591909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.591909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.591909 (E_RNA)
where:
Base-Base interactions energy: -89.459
where: short stacking energy: -41.460
Base-Backbone interact. energy: -0.031
local terms energy: -54.101397
where:
bonds (distance) C4'-P energy: -9.815
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -9.988
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -13.627
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: 5, replica: 10
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -97.331035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.331035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.331035 (E_RNA)
where:
Base-Base interactions energy: -48.047
where: short stacking energy: -20.369
Base-Backbone interact. energy: -0.058
local terms energy: -49.226215
where:
bonds (distance) C4'-P energy: -12.404
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -5.848
tors. eta vs tors. theta energy: -5.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -90.686402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.686402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.686402 (E_RNA)
where:
Base-Base interactions energy: -46.746
where: short stacking energy: -28.275
Base-Backbone interact. energy: -0.038
local terms energy: -43.902541
where:
bonds (distance) C4'-P energy: -7.696
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -13.301
flat angles P-C4'-P energy: -3.009
tors. eta vs tors. theta energy: -8.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -82.077734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.077734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.077734 (E_RNA)
where:
Base-Base interactions energy: -43.818
where: short stacking energy: -22.910
Base-Backbone interact. energy: 0.372
local terms energy: -38.631740
where:
bonds (distance) C4'-P energy: -7.282
bonds (distance) P-C4' energy: -10.694
flat angles C4'-P-C4' energy: -9.877
flat angles P-C4'-P energy: -6.045
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: 8, replica: 1
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -70.487580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.487580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.487580 (E_RNA)
where:
Base-Base interactions energy: -28.682
where: short stacking energy: -19.582
Base-Backbone interact. energy: -0.908
local terms energy: -40.897419
where:
bonds (distance) C4'-P energy: -6.835
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -9.967
flat angles P-C4'-P energy: -5.164
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: 9, replica: 3
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -67.952055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.952055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.952055 (E_RNA)
where:
Base-Base interactions energy: -35.717
where: short stacking energy: -18.507
Base-Backbone interact. energy: -0.102
local terms energy: -32.132673
where:
bonds (distance) C4'-P energy: 0.460
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -10.480
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -0.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -58.064877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.064877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.064877 (E_RNA)
where:
Base-Base interactions energy: -12.238
where: short stacking energy: -12.238
Base-Backbone interact. energy: -1.289
local terms energy: -44.537620
where:
bonds (distance) C4'-P energy: -10.963
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -11.407
flat angles P-C4'-P energy: -5.265
tors. eta vs tors. theta energy: -4.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -159.079390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.079390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.079390 (E_RNA)
where:
Base-Base interactions energy: -108.165
where: short stacking energy: -38.297
Base-Backbone interact. energy: -0.176
local terms energy: -50.738572
where:
bonds (distance) C4'-P energy: -9.165
bonds (distance) P-C4' energy: -11.773
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -3.818
tors. eta vs tors. theta energy: -13.412
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: 6
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -146.029550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.029550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.029550 (E_RNA)
where:
Base-Base interactions energy: -87.563
where: short stacking energy: -41.228
Base-Backbone interact. energy: -0.013
local terms energy: -58.453748
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -10.589
flat angles P-C4'-P energy: -9.420
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: 3, replica: 4
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -157.695693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.695693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.695693 (E_RNA)
where:
Base-Base interactions energy: -98.722
where: short stacking energy: -39.601
Base-Backbone interact. energy: -0.101
local terms energy: -58.872959
where:
bonds (distance) C4'-P energy: -11.008
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -6.110
tors. eta vs tors. theta energy: -14.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -135.660736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.660736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.660736 (E_RNA)
where:
Base-Base interactions energy: -82.462
where: short stacking energy: -37.548
Base-Backbone interact. energy: -0.014
local terms energy: -53.184152
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -11.356
flat angles C4'-P-C4' energy: -11.687
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -8.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -85.993374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.993374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.993374 (E_RNA)
where:
Base-Base interactions energy: -43.639
where: short stacking energy: -24.359
Base-Backbone interact. energy: -0.184
local terms energy: -42.169842
where:
bonds (distance) C4'-P energy: -11.568
bonds (distance) P-C4' energy: -9.878
flat angles C4'-P-C4' energy: -11.404
flat angles P-C4'-P energy: -6.252
tors. eta vs tors. theta energy: -3.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -101.365536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.365536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.365536 (E_RNA)
where:
Base-Base interactions energy: -57.587
where: short stacking energy: -26.873
Base-Backbone interact. energy: -0.401
local terms energy: -43.377370
where:
bonds (distance) C4'-P energy: -9.758
bonds (distance) P-C4' energy: -10.942
flat angles C4'-P-C4' energy: -10.138
flat angles P-C4'-P energy: -6.954
tors. eta vs tors. theta energy: -5.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -69.688051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.688051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.688051 (E_RNA)
where:
Base-Base interactions energy: -21.265
where: short stacking energy: -20.622
Base-Backbone interact. energy: -0.035
local terms energy: -48.388439
where:
bonds (distance) C4'-P energy: -13.815
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -10.198
flat angles P-C4'-P energy: -6.259
tors. eta vs tors. theta energy: -5.013
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: 3
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -57.993251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.993251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.993251 (E_RNA)
where:
Base-Base interactions energy: -33.492
where: short stacking energy: -15.337
Base-Backbone interact. energy: 1.471
local terms energy: -25.971962
where:
bonds (distance) C4'-P energy: -10.769
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -1.890
flat angles P-C4'-P energy: -1.484
tors. eta vs tors. theta energy: 0.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -57.334089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.334089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.334089 (E_RNA)
where:
Base-Base interactions energy: -13.670
where: short stacking energy: -13.670
Base-Backbone interact. energy: 0.502
local terms energy: -44.165645
where:
bonds (distance) C4'-P energy: -11.256
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -8.148
flat angles P-C4'-P energy: -6.398
tors. eta vs tors. theta energy: -4.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -53.258462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.258462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.258462 (E_RNA)
where:
Base-Base interactions energy: -21.652
where: short stacking energy: -18.011
Base-Backbone interact. energy: -0.180
local terms energy: -31.426842
where:
bonds (distance) C4'-P energy: -11.319
bonds (distance) P-C4' energy: -10.802
flat angles C4'-P-C4' energy: -9.524
flat angles P-C4'-P energy: -2.636
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: 6
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -153.226318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.226318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.226318 (E_RNA)
where:
Base-Base interactions energy: -102.069
where: short stacking energy: -36.374
Base-Backbone interact. energy: -0.069
local terms energy: -51.087735
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -10.084
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -4.807
tors. eta vs tors. theta energy: -11.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -143.427091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.427091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.427091 (E_RNA)
where:
Base-Base interactions energy: -91.509
where: short stacking energy: -31.515
Base-Backbone interact. energy: -0.090
local terms energy: -51.828131
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -10.932
flat angles C4'-P-C4' energy: -9.543
flat angles P-C4'-P energy: -4.401
tors. eta vs tors. theta energy: -14.114
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: 4
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -152.678026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.678026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.678026 (E_RNA)
where:
Base-Base interactions energy: -102.800
where: short stacking energy: -38.041
Base-Backbone interact. energy: -0.181
local terms energy: -49.696888
where:
bonds (distance) C4'-P energy: -10.669
bonds (distance) P-C4' energy: -11.169
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -2.108
tors. eta vs tors. theta energy: -13.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -139.362666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.362666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.362666 (E_RNA)
where:
Base-Base interactions energy: -82.634
where: short stacking energy: -40.540
Base-Backbone interact. energy: -0.038
local terms energy: -56.690439
where:
bonds (distance) C4'-P energy: -10.074
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -12.341
flat angles P-C4'-P energy: -6.727
tors. eta vs tors. theta energy: -15.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -89.905254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.905254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.905254 (E_RNA)
where:
Base-Base interactions energy: -55.116
where: short stacking energy: -15.083
Base-Backbone interact. energy: -0.169
local terms energy: -34.620870
where:
bonds (distance) C4'-P energy: -9.206
bonds (distance) P-C4' energy: -10.626
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -2.484
tors. eta vs tors. theta energy: 0.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -71.337075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.337075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.337075 (E_RNA)
where:
Base-Base interactions energy: -21.600
where: short stacking energy: -21.600
Base-Backbone interact. energy: -0.005
local terms energy: -49.732447
where:
bonds (distance) C4'-P energy: -10.929
bonds (distance) P-C4' energy: -11.962
flat angles C4'-P-C4' energy: -10.895
flat angles P-C4'-P energy: -5.731
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: 7, replica: 3
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -79.452626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.452626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.452626 (E_RNA)
where:
Base-Base interactions energy: -43.775
where: short stacking energy: -17.378
Base-Backbone interact. energy: 0.439
local terms energy: -36.117156
where:
bonds (distance) C4'-P energy: -8.951
bonds (distance) P-C4' energy: -11.306
flat angles C4'-P-C4' energy: -10.180
flat angles P-C4'-P energy: -4.041
tors. eta vs tors. theta energy: -1.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -73.523627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.523627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.523627 (E_RNA)
where:
Base-Base interactions energy: -38.351
where: short stacking energy: -24.533
Base-Backbone interact. energy: 0.339
local terms energy: -35.511690
where:
bonds (distance) C4'-P energy: -4.099
bonds (distance) P-C4' energy: -8.654
flat angles C4'-P-C4' energy: -11.080
flat angles P-C4'-P energy: -6.094
tors. eta vs tors. theta energy: -5.585
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: 7
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -68.497341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.497341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.497341 (E_RNA)
where:
Base-Base interactions energy: -27.454
where: short stacking energy: -23.508
Base-Backbone interact. energy: -0.144
local terms energy: -40.898581
where:
bonds (distance) C4'-P energy: -11.186
bonds (distance) P-C4' energy: -11.570
flat angles C4'-P-C4' energy: -6.684
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: -2.569
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: 272
Temperature: 1.350000
Total energy: -58.946324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.946324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.946324 (E_RNA)
where:
Base-Base interactions energy: -24.093
where: short stacking energy: -11.440
Base-Backbone interact. energy: -0.034
local terms energy: -34.819343
where:
bonds (distance) C4'-P energy: -8.474
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -10.891
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: 4.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -151.418465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.418465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.418465 (E_RNA)
where:
Base-Base interactions energy: -95.746
where: short stacking energy: -34.110
Base-Backbone interact. energy: -0.009
local terms energy: -55.663627
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -12.183
flat angles C4'-P-C4' energy: -8.391
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -12.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -155.517411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.517411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.517411 (E_RNA)
where:
Base-Base interactions energy: -105.851
where: short stacking energy: -28.859
Base-Backbone interact. energy: -0.002
local terms energy: -49.663880
where:
bonds (distance) C4'-P energy: -12.776
bonds (distance) P-C4' energy: -12.935
flat angles C4'-P-C4' energy: -9.224
flat angles P-C4'-P energy: -4.880
tors. eta vs tors. theta energy: -9.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -147.419080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.419080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.419080 (E_RNA)
where:
Base-Base interactions energy: -90.380
where: short stacking energy: -38.574
Base-Backbone interact. energy: -0.092
local terms energy: -56.946512
where:
bonds (distance) C4'-P energy: -12.954
bonds (distance) P-C4' energy: -9.400
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -5.140
tors. eta vs tors. theta energy: -15.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -143.203227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.203227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.203227 (E_RNA)
where:
Base-Base interactions energy: -96.036
where: short stacking energy: -37.341
Base-Backbone interact. energy: -0.200
local terms energy: -46.966877
where:
bonds (distance) C4'-P energy: -10.002
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -9.043
flat angles P-C4'-P energy: -5.956
tors. eta vs tors. theta energy: -8.428
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: 8
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -104.387336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.387336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.387336 (E_RNA)
where:
Base-Base interactions energy: -62.567
where: short stacking energy: -24.565
Base-Backbone interact. energy: -0.027
local terms energy: -41.793610
where:
bonds (distance) C4'-P energy: -12.689
bonds (distance) P-C4' energy: -8.619
flat angles C4'-P-C4' energy: -7.682
flat angles P-C4'-P energy: -6.623
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: 6, replica: 3
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -78.038459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.038459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.038459 (E_RNA)
where:
Base-Base interactions energy: -30.082
where: short stacking energy: -20.366
Base-Backbone interact. energy: -0.327
local terms energy: -47.629857
where:
bonds (distance) C4'-P energy: -8.445
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -7.497
tors. eta vs tors. theta energy: -5.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -71.397420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.397420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.397420 (E_RNA)
where:
Base-Base interactions energy: -29.674
where: short stacking energy: -21.557
Base-Backbone interact. energy: -0.074
local terms energy: -41.649150
where:
bonds (distance) C4'-P energy: -6.035
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -10.230
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -5.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -81.524003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.524003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.524003 (E_RNA)
where:
Base-Base interactions energy: -48.965
where: short stacking energy: -17.371
Base-Backbone interact. energy: -0.148
local terms energy: -32.411727
where:
bonds (distance) C4'-P energy: -11.264
bonds (distance) P-C4' energy: -9.473
flat angles C4'-P-C4' energy: -7.571
flat angles P-C4'-P energy: -2.622
tors. eta vs tors. theta energy: -1.482
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: 7
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -60.844403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.844403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.844403 (E_RNA)
where:
Base-Base interactions energy: -21.202
where: short stacking energy: -12.809
Base-Backbone interact. energy: -0.188
local terms energy: -39.455076
where:
bonds (distance) C4'-P energy: -8.301
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -9.792
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: 1.079
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: 273
Temperature: 1.350000
Total energy: -66.895929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.895929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.895929 (E_RNA)
where:
Base-Base interactions energy: -28.053
where: short stacking energy: -13.127
Base-Backbone interact. energy: -0.168
local terms energy: -38.674609
where:
bonds (distance) C4'-P energy: -11.480
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -10.134
flat angles P-C4'-P energy: -5.225
tors. eta vs tors. theta energy: 0.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -149.658883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.658883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.658883 (E_RNA)
where:
Base-Base interactions energy: -89.738
where: short stacking energy: -38.054
Base-Backbone interact. energy: -0.379
local terms energy: -59.542401
where:
bonds (distance) C4'-P energy: -12.755
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -9.736
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -13.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -145.183556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.183556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.183556 (E_RNA)
where:
Base-Base interactions energy: -95.281
where: short stacking energy: -38.604
Base-Backbone interact. energy: -0.035
local terms energy: -49.867138
where:
bonds (distance) C4'-P energy: -10.491
bonds (distance) P-C4' energy: -9.781
flat angles C4'-P-C4' energy: -9.535
flat angles P-C4'-P energy: -7.827
tors. eta vs tors. theta energy: -12.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -146.077994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.077994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.077994 (E_RNA)
where:
Base-Base interactions energy: -98.047
where: short stacking energy: -37.558
Base-Backbone interact. energy: -0.211
local terms energy: -47.820355
where:
bonds (distance) C4'-P energy: -10.929
bonds (distance) P-C4' energy: -8.875
flat angles C4'-P-C4' energy: -7.477
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -10.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -140.217533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.217533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.217533 (E_RNA)
where:
Base-Base interactions energy: -93.447
where: short stacking energy: -34.682
Base-Backbone interact. energy: -0.044
local terms energy: -46.726694
where:
bonds (distance) C4'-P energy: -7.237
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -7.849
flat angles P-C4'-P energy: -10.753
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: 5, replica: 8
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -83.590426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.590426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.590426 (E_RNA)
where:
Base-Base interactions energy: -40.649
where: short stacking energy: -21.673
Base-Backbone interact. energy: -0.911
local terms energy: -42.030098
where:
bonds (distance) C4'-P energy: -11.381
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -8.402
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -0.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -110.868440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.868440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.868440 (E_RNA)
where:
Base-Base interactions energy: -59.168
where: short stacking energy: -22.995
Base-Backbone interact. energy: -0.215
local terms energy: -51.485298
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -8.959
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: -8.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -75.758493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.758493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.758493 (E_RNA)
where:
Base-Base interactions energy: -24.666
where: short stacking energy: -22.929
Base-Backbone interact. energy: 0.571
local terms energy: -51.663886
where:
bonds (distance) C4'-P energy: -11.360
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -10.235
flat angles P-C4'-P energy: -6.811
tors. eta vs tors. theta energy: -8.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -66.092652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.092652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.092652 (E_RNA)
where:
Base-Base interactions energy: -22.463
where: short stacking energy: -22.021
Base-Backbone interact. energy: -0.589
local terms energy: -43.041001
where:
bonds (distance) C4'-P energy: -9.000
bonds (distance) P-C4' energy: -10.599
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: -3.223
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: 7
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -59.336463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.336463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.336463 (E_RNA)
where:
Base-Base interactions energy: -20.115
where: short stacking energy: -10.671
Base-Backbone interact. energy: 0.597
local terms energy: -39.818235
where:
bonds (distance) C4'-P energy: -12.134
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -8.930
flat angles P-C4'-P energy: -6.045
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: 274
Temperature: 1.350000
Total energy: -61.972231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.972231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.972231 (E_RNA)
where:
Base-Base interactions energy: -31.352
where: short stacking energy: -9.391
Base-Backbone interact. energy: -0.160
local terms energy: -30.460045
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -6.996
flat angles C4'-P-C4' energy: -7.124
flat angles P-C4'-P energy: -6.374
tors. eta vs tors. theta energy: 0.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -161.039519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.039519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.039519 (E_RNA)
where:
Base-Base interactions energy: -113.316
where: short stacking energy: -38.135
Base-Backbone interact. energy: -0.336
local terms energy: -47.387792
where:
bonds (distance) C4'-P energy: -8.091
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -11.041
flat angles P-C4'-P energy: -6.349
tors. eta vs tors. theta energy: -9.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -139.697292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.697292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.697292 (E_RNA)
where:
Base-Base interactions energy: -94.042
where: short stacking energy: -28.478
Base-Backbone interact. energy: -0.082
local terms energy: -45.572515
where:
bonds (distance) C4'-P energy: -10.263
bonds (distance) P-C4' energy: -10.158
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -7.402
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: 3, replica: 4
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -144.872046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.872046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.872046 (E_RNA)
where:
Base-Base interactions energy: -89.072
where: short stacking energy: -41.211
Base-Backbone interact. energy: -0.148
local terms energy: -55.651959
where:
bonds (distance) C4'-P energy: -11.024
bonds (distance) P-C4' energy: -13.040
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -5.930
tors. eta vs tors. theta energy: -14.022
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: 5
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -144.321784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.321784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.321784 (E_RNA)
where:
Base-Base interactions energy: -97.332
where: short stacking energy: -41.716
Base-Backbone interact. energy: -0.538
local terms energy: -46.451204
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -8.796
flat angles C4'-P-C4' energy: -9.991
flat angles P-C4'-P energy: -5.625
tors. eta vs tors. theta energy: -9.127
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: 5, replica: 8
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -63.825553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.825553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.825553 (E_RNA)
where:
Base-Base interactions energy: -20.954
where: short stacking energy: -20.954
Base-Backbone interact. energy: 1.786
local terms energy: -44.657686
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -12.942
flat angles C4'-P-C4' energy: -4.994
flat angles P-C4'-P energy: -6.800
tors. eta vs tors. theta energy: -6.935
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: 275
Temperature: 1.150000
Total energy: -70.197081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.197081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.197081 (E_RNA)
where:
Base-Base interactions energy: -25.404
where: short stacking energy: -25.404
Base-Backbone interact. energy: -0.318
local terms energy: -44.474593
where:
bonds (distance) C4'-P energy: -6.322
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -9.480
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -4.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -57.318392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.318392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.318392 (E_RNA)
where:
Base-Base interactions energy: -20.528
where: short stacking energy: -12.080
Base-Backbone interact. energy: -0.053
local terms energy: -36.737259
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -8.709
flat angles P-C4'-P energy: -5.246
tors. eta vs tors. theta energy: 1.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -60.807920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.807920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.807920 (E_RNA)
where:
Base-Base interactions energy: -18.434
where: short stacking energy: -17.766
Base-Backbone interact. energy: -0.073
local terms energy: -42.300081
where:
bonds (distance) C4'-P energy: -10.205
bonds (distance) P-C4' energy: -10.551
flat angles C4'-P-C4' energy: -10.553
flat angles P-C4'-P energy: -4.827
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: 9, replica: 10
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -60.512044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.512044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.512044 (E_RNA)
where:
Base-Base interactions energy: -34.794
where: short stacking energy: -13.787
Base-Backbone interact. energy: -0.297
local terms energy: -25.420500
where:
bonds (distance) C4'-P energy: -7.964
bonds (distance) P-C4' energy: -11.633
flat angles C4'-P-C4' energy: -2.128
flat angles P-C4'-P energy: -3.089
tors. eta vs tors. theta energy: -0.606
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: 275
Temperature: 1.350000
Total energy: -61.151512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.151512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.151512 (E_RNA)
where:
Base-Base interactions energy: -22.312
where: short stacking energy: -16.685
Base-Backbone interact. energy: -1.181
local terms energy: -37.658332
where:
bonds (distance) C4'-P energy: -8.678
bonds (distance) P-C4' energy: -10.675
flat angles C4'-P-C4' energy: -9.537
flat angles P-C4'-P energy: -5.408
tors. eta vs tors. theta energy: -3.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -152.821540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.821540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.821540 (E_RNA)
where:
Base-Base interactions energy: -102.313
where: short stacking energy: -29.152
Base-Backbone interact. energy: -0.179
local terms energy: -50.329028
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -10.762
flat angles C4'-P-C4' energy: -12.078
flat angles P-C4'-P energy: -5.058
tors. eta vs tors. theta energy: -9.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -155.095930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.095930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.095930 (E_RNA)
where:
Base-Base interactions energy: -103.018
where: short stacking energy: -45.894
Base-Backbone interact. energy: -0.029
local terms energy: -52.049249
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -11.472
flat angles C4'-P-C4' energy: -10.124
flat angles P-C4'-P energy: -7.836
tors. eta vs tors. theta energy: -9.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -146.311068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.311068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.311068 (E_RNA)
where:
Base-Base interactions energy: -91.395
where: short stacking energy: -31.656
Base-Backbone interact. energy: -0.151
local terms energy: -54.765186
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -8.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -126.167152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.167152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.167152 (E_RNA)
where:
Base-Base interactions energy: -72.805
where: short stacking energy: -32.198
Base-Backbone interact. energy: -0.268
local terms energy: -53.094127
where:
bonds (distance) C4'-P energy: -11.708
bonds (distance) P-C4' energy: -11.690
flat angles C4'-P-C4' energy: -11.398
flat angles P-C4'-P energy: -7.253
tors. eta vs tors. theta energy: -11.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -69.305531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.305531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.305531 (E_RNA)
where:
Base-Base interactions energy: -35.041
where: short stacking energy: -12.631
Base-Backbone interact. energy: 0.536
local terms energy: -34.800882
where:
bonds (distance) C4'-P energy: -10.544
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -6.426
flat angles P-C4'-P energy: -4.950
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: 6, replica: 8
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -67.398085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.398085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.398085 (E_RNA)
where:
Base-Base interactions energy: -21.331
where: short stacking energy: -20.335
Base-Backbone interact. energy: -0.003
local terms energy: -46.064538
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -11.662
flat angles C4'-P-C4' energy: -11.327
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -3.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -80.817071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.817071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.817071 (E_RNA)
where:
Base-Base interactions energy: -47.161
where: short stacking energy: -17.891
Base-Backbone interact. energy: 1.183
local terms energy: -34.839540
where:
bonds (distance) C4'-P energy: -11.637
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -4.626
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: 1.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -62.016564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.016564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.016564 (E_RNA)
where:
Base-Base interactions energy: -18.037
where: short stacking energy: -9.153
Base-Backbone interact. energy: -0.188
local terms energy: -43.791033
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -11.730
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -5.054
tors. eta vs tors. theta energy: -1.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -57.668677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.668677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.668677 (E_RNA)
where:
Base-Base interactions energy: -17.212
where: short stacking energy: -12.901
Base-Backbone interact. energy: -1.178
local terms energy: -39.278384
where:
bonds (distance) C4'-P energy: -11.009
bonds (distance) P-C4' energy: -10.986
flat angles C4'-P-C4' energy: -10.063
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: 0.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -65.344527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.344527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.344527 (E_RNA)
where:
Base-Base interactions energy: -27.253
where: short stacking energy: -19.125
Base-Backbone interact. energy: -0.012
local terms energy: -38.079646
where:
bonds (distance) C4'-P energy: -7.403
bonds (distance) P-C4' energy: -10.283
flat angles C4'-P-C4' energy: -9.626
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: -2.842
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: 9
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -150.230445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.230445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.230445 (E_RNA)
where:
Base-Base interactions energy: -98.637
where: short stacking energy: -37.595
Base-Backbone interact. energy: -0.072
local terms energy: -51.520828
where:
bonds (distance) C4'-P energy: -13.078
bonds (distance) P-C4' energy: -7.950
flat angles C4'-P-C4' energy: -12.159
flat angles P-C4'-P energy: -7.099
tors. eta vs tors. theta energy: -11.235
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: 4
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -149.834898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.834898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.834898 (E_RNA)
where:
Base-Base interactions energy: -97.223
where: short stacking energy: -37.114
Base-Backbone interact. energy: -0.005
local terms energy: -52.606372
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -10.954
flat angles C4'-P-C4' energy: -9.709
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -11.757
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: 6
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -148.045429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.045429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.045429 (E_RNA)
where:
Base-Base interactions energy: -96.654
where: short stacking energy: -40.299
Base-Backbone interact. energy: -0.002
local terms energy: -51.389471
where:
bonds (distance) C4'-P energy: -6.268
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -6.860
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: 4, replica: 5
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -128.105946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.105946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.105946 (E_RNA)
where:
Base-Base interactions energy: -84.414
where: short stacking energy: -36.446
Base-Backbone interact. energy: -0.133
local terms energy: -43.559025
where:
bonds (distance) C4'-P energy: -11.133
bonds (distance) P-C4' energy: -10.504
flat angles C4'-P-C4' energy: -11.410
flat angles P-C4'-P energy: 1.328
tors. eta vs tors. theta energy: -11.840
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: 277
Temperature: 1.100000
Total energy: -78.537568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.537568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.537568 (E_RNA)
where:
Base-Base interactions energy: -30.348
where: short stacking energy: -14.157
Base-Backbone interact. energy: -0.039
local terms energy: -48.150706
where:
bonds (distance) C4'-P energy: -13.086
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -11.402
flat angles P-C4'-P energy: -6.876
tors. eta vs tors. theta energy: -4.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -105.573384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.573384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.573384 (E_RNA)
where:
Base-Base interactions energy: -64.079
where: short stacking energy: -27.697
Base-Backbone interact. energy: -0.166
local terms energy: -41.328660
where:
bonds (distance) C4'-P energy: -4.911
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -2.768
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: 8
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -66.880552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.880552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.880552 (E_RNA)
where:
Base-Base interactions energy: -26.270
where: short stacking energy: -21.869
Base-Backbone interact. energy: -0.348
local terms energy: -40.262790
where:
bonds (distance) C4'-P energy: -9.212
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -8.898
flat angles P-C4'-P energy: -3.910
tors. eta vs tors. theta energy: -4.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -68.479372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.479372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.479372 (E_RNA)
where:
Base-Base interactions energy: -32.675
where: short stacking energy: -16.870
Base-Backbone interact. energy: -0.343
local terms energy: -35.462106
where:
bonds (distance) C4'-P energy: -9.328
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -11.020
flat angles P-C4'-P energy: -0.939
tors. eta vs tors. theta energy: -1.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -57.337310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.337310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.337310 (E_RNA)
where:
Base-Base interactions energy: -23.802
where: short stacking energy: -23.802
Base-Backbone interact. energy: -0.165
local terms energy: -33.369542
where:
bonds (distance) C4'-P energy: -12.341
bonds (distance) P-C4' energy: -8.194
flat angles C4'-P-C4' energy: -9.363
flat angles P-C4'-P energy: -3.232
tors. eta vs tors. theta energy: -0.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -58.867737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.867737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.867737 (E_RNA)
where:
Base-Base interactions energy: -19.807
where: short stacking energy: -15.643
Base-Backbone interact. energy: -0.154
local terms energy: -38.907254
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -10.694
flat angles C4'-P-C4' energy: -8.681
flat angles P-C4'-P energy: -4.156
tors. eta vs tors. theta energy: -3.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -155.525490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.525490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.525490 (E_RNA)
where:
Base-Base interactions energy: -105.168
where: short stacking energy: -30.636
Base-Backbone interact. energy: -0.091
local terms energy: -50.266205
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -10.991
flat angles C4'-P-C4' energy: -9.971
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -9.325
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: 2, replica: 4
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -147.498584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.498584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.498584 (E_RNA)
where:
Base-Base interactions energy: -92.083
where: short stacking energy: -43.423
Base-Backbone interact. energy: -0.001
local terms energy: -55.415315
where:
bonds (distance) C4'-P energy: -10.147
bonds (distance) P-C4' energy: -11.519
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -11.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -139.031993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.031993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.031993 (E_RNA)
where:
Base-Base interactions energy: -89.324
where: short stacking energy: -33.504
Base-Backbone interact. energy: -0.041
local terms energy: -49.667267
where:
bonds (distance) C4'-P energy: -9.107
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -11.917
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -7.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -136.153299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.153299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.153299 (E_RNA)
where:
Base-Base interactions energy: -90.161
where: short stacking energy: -32.033
Base-Backbone interact. energy: -0.138
local terms energy: -45.853659
where:
bonds (distance) C4'-P energy: -10.722
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -8.636
flat angles P-C4'-P energy: -6.109
tors. eta vs tors. theta energy: -6.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -88.147638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.147638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.147638 (E_RNA)
where:
Base-Base interactions energy: -41.633
where: short stacking energy: -22.586
Base-Backbone interact. energy: 0.801
local terms energy: -47.315803
where:
bonds (distance) C4'-P energy: -10.573
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -11.192
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: -4.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -71.613792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.613792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.613792 (E_RNA)
where:
Base-Base interactions energy: -27.769
where: short stacking energy: -18.623
Base-Backbone interact. energy: -1.021
local terms energy: -42.823114
where:
bonds (distance) C4'-P energy: -10.599
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -7.262
flat angles P-C4'-P energy: -6.674
tors. eta vs tors. theta energy: -5.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -69.681528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.681528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.681528 (E_RNA)
where:
Base-Base interactions energy: -26.803
where: short stacking energy: -26.070
Base-Backbone interact. energy: -0.039
local terms energy: -42.839238
where:
bonds (distance) C4'-P energy: -10.002
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -11.479
flat angles P-C4'-P energy: -3.718
tors. eta vs tors. theta energy: -4.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -77.992994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.992994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.992994 (E_RNA)
where:
Base-Base interactions energy: -37.451
where: short stacking energy: -18.082
Base-Backbone interact. energy: -0.152
local terms energy: -40.389791
where:
bonds (distance) C4'-P energy: -9.455
bonds (distance) P-C4' energy: -8.795
flat angles C4'-P-C4' energy: -10.344
flat angles P-C4'-P energy: -7.859
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: 9, replica: 3
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -70.673287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.673287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.673287 (E_RNA)
where:
Base-Base interactions energy: -27.533
where: short stacking energy: -24.086
Base-Backbone interact. energy: -0.042
local terms energy: -43.099100
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -9.444
flat angles C4'-P-C4' energy: -11.456
flat angles P-C4'-P energy: -3.305
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: 278
Temperature: 1.350000
Total energy: -63.218328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.218328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.218328 (E_RNA)
where:
Base-Base interactions energy: -19.070
where: short stacking energy: -19.070
Base-Backbone interact. energy: -0.009
local terms energy: -44.139474
where:
bonds (distance) C4'-P energy: -8.623
bonds (distance) P-C4' energy: -10.957
flat angles C4'-P-C4' energy: -10.641
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: -6.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -156.582749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.582749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.582749 (E_RNA)
where:
Base-Base interactions energy: -103.224
where: short stacking energy: -34.070
Base-Backbone interact. energy: -0.192
local terms energy: -53.166283
where:
bonds (distance) C4'-P energy: -11.422
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -6.226
tors. eta vs tors. theta energy: -9.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -151.019263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.019263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.019263 (E_RNA)
where:
Base-Base interactions energy: -95.728
where: short stacking energy: -33.987
Base-Backbone interact. energy: 0.131
local terms energy: -55.421824
where:
bonds (distance) C4'-P energy: -11.746
bonds (distance) P-C4' energy: -13.202
flat angles C4'-P-C4' energy: -12.576
flat angles P-C4'-P energy: -8.614
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: 3, replica: 6
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -144.565819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.565819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.565819 (E_RNA)
where:
Base-Base interactions energy: -94.046
where: short stacking energy: -39.770
Base-Backbone interact. energy: 0.669
local terms energy: -51.188793
where:
bonds (distance) C4'-P energy: -7.498
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -10.814
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -10.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -144.291367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.291367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.291367 (E_RNA)
where:
Base-Base interactions energy: -98.152
where: short stacking energy: -22.428
Base-Backbone interact. energy: -0.532
local terms energy: -45.607132
where:
bonds (distance) C4'-P energy: -10.726
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -5.996
tors. eta vs tors. theta energy: -4.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -74.608900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.608900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.608900 (E_RNA)
where:
Base-Base interactions energy: -45.083
where: short stacking energy: -12.455
Base-Backbone interact. energy: 1.473
local terms energy: -30.999660
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -9.182
flat angles C4'-P-C4' energy: -0.342
flat angles P-C4'-P energy: -6.776
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: 6, replica: 8
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -95.660075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.660075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.660075 (E_RNA)
where:
Base-Base interactions energy: -53.622
where: short stacking energy: -18.658
Base-Backbone interact. energy: -0.129
local terms energy: -41.909023
where:
bonds (distance) C4'-P energy: -8.490
bonds (distance) P-C4' energy: -12.494
flat angles C4'-P-C4' energy: -11.383
flat angles P-C4'-P energy: -6.339
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: 7, replica: 2
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -73.530913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.530913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.530913 (E_RNA)
where:
Base-Base interactions energy: -27.729
where: short stacking energy: -17.105
Base-Backbone interact. energy: -0.068
local terms energy: -45.733231
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -11.780
flat angles C4'-P-C4' energy: -10.410
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -0.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -62.558890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.558890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.558890 (E_RNA)
where:
Base-Base interactions energy: -19.870
where: short stacking energy: -14.269
Base-Backbone interact. energy: -0.073
local terms energy: -42.615440
where:
bonds (distance) C4'-P energy: -10.350
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -8.927
flat angles P-C4'-P energy: -5.972
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: 9, replica: 1
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -58.872117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.872117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.872117 (E_RNA)
where:
Base-Base interactions energy: -19.934
where: short stacking energy: -12.584
Base-Backbone interact. energy: 0.015
local terms energy: -38.952426
where:
bonds (distance) C4'-P energy: -9.045
bonds (distance) P-C4' energy: -10.415
flat angles C4'-P-C4' energy: -8.981
flat angles P-C4'-P energy: -6.322
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: 10
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -57.041448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.041448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.041448 (E_RNA)
where:
Base-Base interactions energy: -16.868
where: short stacking energy: -17.831
Base-Backbone interact. energy: -0.022
local terms energy: -40.151347
where:
bonds (distance) C4'-P energy: -9.952
bonds (distance) P-C4' energy: -13.171
flat angles C4'-P-C4' energy: -7.976
flat angles P-C4'-P energy: -5.598
tors. eta vs tors. theta energy: -3.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -148.243883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.243883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.243883 (E_RNA)
where:
Base-Base interactions energy: -96.874
where: short stacking energy: -41.151
Base-Backbone interact. energy: 0.051
local terms energy: -51.420520
where:
bonds (distance) C4'-P energy: -7.897
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -8.449
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -13.806
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: 9
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -148.392528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.392528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.392528 (E_RNA)
where:
Base-Base interactions energy: -91.242
where: short stacking energy: -45.612
Base-Backbone interact. energy: -0.003
local terms energy: -57.148100
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -7.250
tors. eta vs tors. theta energy: -12.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -135.653316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.653316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.653316 (E_RNA)
where:
Base-Base interactions energy: -87.933
where: short stacking energy: -33.979
Base-Backbone interact. energy: -0.086
local terms energy: -47.635136
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -9.003
flat angles P-C4'-P energy: -5.679
tors. eta vs tors. theta energy: -9.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -123.082282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.082282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.082282 (E_RNA)
where:
Base-Base interactions energy: -78.475
where: short stacking energy: -19.836
Base-Backbone interact. energy: -0.112
local terms energy: -44.495765
where:
bonds (distance) C4'-P energy: -5.667
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -9.879
flat angles P-C4'-P energy: -5.854
tors. eta vs tors. theta energy: -9.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -105.669811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.669811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.669811 (E_RNA)
where:
Base-Base interactions energy: -64.459
where: short stacking energy: -22.201
Base-Backbone interact. energy: 0.337
local terms energy: -41.548071
where:
bonds (distance) C4'-P energy: -10.768
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -5.732
flat angles P-C4'-P energy: -3.823
tors. eta vs tors. theta energy: -7.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -67.076297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.076297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.076297 (E_RNA)
where:
Base-Base interactions energy: -25.193
where: short stacking energy: -6.653
Base-Backbone interact. energy: -0.085
local terms energy: -41.798177
where:
bonds (distance) C4'-P energy: -11.969
bonds (distance) P-C4' energy: -10.369
flat angles C4'-P-C4' energy: -8.833
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: -1.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -57.768739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.768739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.768739 (E_RNA)
where:
Base-Base interactions energy: -17.652
where: short stacking energy: -18.015
Base-Backbone interact. energy: -0.014
local terms energy: -40.102429
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -10.178
flat angles C4'-P-C4' energy: -10.866
flat angles P-C4'-P energy: -6.337
tors. eta vs tors. theta energy: 0.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -70.446879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.446879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.446879 (E_RNA)
where:
Base-Base interactions energy: -35.167
where: short stacking energy: -9.293
Base-Backbone interact. energy: -0.107
local terms energy: -35.172573
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -4.877
flat angles P-C4'-P energy: -2.301
tors. eta vs tors. theta energy: -4.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -65.379290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.379290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.379290 (E_RNA)
where:
Base-Base interactions energy: -28.477
where: short stacking energy: -14.373
Base-Backbone interact. energy: -0.277
local terms energy: -36.625437
where:
bonds (distance) C4'-P energy: -9.083
bonds (distance) P-C4' energy: -11.270
flat angles C4'-P-C4' energy: -8.786
flat angles P-C4'-P energy: -6.054
tors. eta vs tors. theta energy: -1.433
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: 280
Temperature: 1.350000
Total energy: -58.223261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.223261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.223261 (E_RNA)
where:
Base-Base interactions energy: -31.258
where: short stacking energy: -15.571
Base-Backbone interact. energy: -0.055
local terms energy: -26.910396
where:
bonds (distance) C4'-P energy: -8.943
bonds (distance) P-C4' energy: -8.327
flat angles C4'-P-C4' energy: -9.953
flat angles P-C4'-P energy: 0.496
tors. eta vs tors. theta energy: -0.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -149.949004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.949004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.949004 (E_RNA)
where:
Base-Base interactions energy: -88.882
where: short stacking energy: -43.493
Base-Backbone interact. energy: -0.100
local terms energy: -60.966581
where:
bonds (distance) C4'-P energy: -10.569
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -11.414
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: -16.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -146.745776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.745776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.745776 (E_RNA)
where:
Base-Base interactions energy: -90.179
where: short stacking energy: -38.414
Base-Backbone interact. energy: -0.195
local terms energy: -56.372532
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -9.602
flat angles P-C4'-P energy: -6.773
tors. eta vs tors. theta energy: -13.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -145.423481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.423481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.423481 (E_RNA)
where:
Base-Base interactions energy: -92.508
where: short stacking energy: -37.625
Base-Backbone interact. energy: -0.122
local terms energy: -52.793456
where:
bonds (distance) C4'-P energy: -10.504
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -9.592
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -12.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -136.013348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.013348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.013348 (E_RNA)
where:
Base-Base interactions energy: -89.520
where: short stacking energy: -35.940
Base-Backbone interact. energy: -0.079
local terms energy: -46.414487
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -10.369
flat angles C4'-P-C4' energy: -9.992
flat angles P-C4'-P energy: -6.957
tors. eta vs tors. theta energy: -6.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -96.014397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.014397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.014397 (E_RNA)
where:
Base-Base interactions energy: -61.638
where: short stacking energy: -23.275
Base-Backbone interact. energy: -0.161
local terms energy: -34.215006
where:
bonds (distance) C4'-P energy: -7.258
bonds (distance) P-C4' energy: -8.933
flat angles C4'-P-C4' energy: -8.657
flat angles P-C4'-P energy: -6.720
tors. eta vs tors. theta energy: -2.646
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: 3
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -74.394973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.394973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.394973 (E_RNA)
where:
Base-Base interactions energy: -27.596
where: short stacking energy: -13.241
Base-Backbone interact. energy: -0.005
local terms energy: -46.794251
where:
bonds (distance) C4'-P energy: -11.182
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -9.475
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -3.876
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: 7
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -64.176641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.176641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.176641 (E_RNA)
where:
Base-Base interactions energy: -23.467
where: short stacking energy: -12.228
Base-Backbone interact. energy: -0.195
local terms energy: -40.514916
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -11.303
flat angles C4'-P-C4' energy: -9.819
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: 1.089
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: 10
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -59.592567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.592567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.592567 (E_RNA)
where:
Base-Base interactions energy: -20.266
where: short stacking energy: -20.240
Base-Backbone interact. energy: -1.304
local terms energy: -38.022331
where:
bonds (distance) C4'-P energy: -9.187
bonds (distance) P-C4' energy: -9.950
flat angles C4'-P-C4' energy: -9.540
flat angles P-C4'-P energy: -4.083
tors. eta vs tors. theta energy: -5.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -55.078856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.078856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.078856 (E_RNA)
where:
Base-Base interactions energy: -19.907
where: short stacking energy: -12.218
Base-Backbone interact. energy: -0.215
local terms energy: -34.956660
where:
bonds (distance) C4'-P energy: -11.360
bonds (distance) P-C4' energy: -14.922
flat angles C4'-P-C4' energy: -10.648
flat angles P-C4'-P energy: -2.853
tors. eta vs tors. theta energy: 4.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -57.387243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.387243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.387243 (E_RNA)
where:
Base-Base interactions energy: -26.577
where: short stacking energy: -25.042
Base-Backbone interact. energy: -0.155
local terms energy: -30.654765
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -1.348
flat angles C4'-P-C4' energy: -8.198
flat angles P-C4'-P energy: -4.729
tors. eta vs tors. theta energy: -2.839
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: 1, replica: 9
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -155.984074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.984074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.984074 (E_RNA)
where:
Base-Base interactions energy: -102.686
where: short stacking energy: -39.576
Base-Backbone interact. energy: -0.007
local terms energy: -53.290633
where:
bonds (distance) C4'-P energy: -10.494
bonds (distance) P-C4' energy: -12.427
flat angles C4'-P-C4' energy: -11.687
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -10.937
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: 2, replica: 4
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -147.941747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.941747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.941747 (E_RNA)
where:
Base-Base interactions energy: -99.442
where: short stacking energy: -34.040
Base-Backbone interact. energy: -0.227
local terms energy: -48.272368
where:
bonds (distance) C4'-P energy: -8.155
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -9.534
flat angles P-C4'-P energy: -4.581
tors. eta vs tors. theta energy: -13.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -133.697040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.697040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.697040 (E_RNA)
where:
Base-Base interactions energy: -86.858
where: short stacking energy: -38.528
Base-Backbone interact. energy: -0.102
local terms energy: -46.736988
where:
bonds (distance) C4'-P energy: -7.432
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -9.891
flat angles P-C4'-P energy: -8.079
tors. eta vs tors. theta energy: -8.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -138.083786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.083786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.083786 (E_RNA)
where:
Base-Base interactions energy: -85.748
where: short stacking energy: -37.550
Base-Backbone interact. energy: -0.000
local terms energy: -52.335234
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -9.680
flat angles C4'-P-C4' energy: -9.402
flat angles P-C4'-P energy: -9.598
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: 5, replica: 8
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -90.722626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.722626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.722626 (E_RNA)
where:
Base-Base interactions energy: -48.987
where: short stacking energy: -16.731
Base-Backbone interact. energy: -0.142
local terms energy: -41.593435
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -13.956
flat angles C4'-P-C4' energy: -11.480
flat angles P-C4'-P energy: -6.583
tors. eta vs tors. theta energy: 1.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -65.850489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.850489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.850489 (E_RNA)
where:
Base-Base interactions energy: -23.468
where: short stacking energy: -21.814
Base-Backbone interact. energy: -0.071
local terms energy: -42.311806
where:
bonds (distance) C4'-P energy: -8.785
bonds (distance) P-C4' energy: -11.472
flat angles C4'-P-C4' energy: -11.762
flat angles P-C4'-P energy: -6.260
tors. eta vs tors. theta energy: -4.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -60.219486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.219486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.219486 (E_RNA)
where:
Base-Base interactions energy: -22.652
where: short stacking energy: -13.082
Base-Backbone interact. energy: -0.287
local terms energy: -37.280325
where:
bonds (distance) C4'-P energy: -9.195
bonds (distance) P-C4' energy: -10.626
flat angles C4'-P-C4' energy: -10.665
flat angles P-C4'-P energy: -6.648
tors. eta vs tors. theta energy: -0.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -65.683092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.683092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.683092 (E_RNA)
where:
Base-Base interactions energy: -30.589
where: short stacking energy: -22.066
Base-Backbone interact. energy: -0.050
local terms energy: -35.044014
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -10.406
flat angles C4'-P-C4' energy: -10.219
flat angles P-C4'-P energy: -4.218
tors. eta vs tors. theta energy: 1.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -63.650385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.650385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.650385 (E_RNA)
where:
Base-Base interactions energy: -30.271
where: short stacking energy: -22.853
Base-Backbone interact. energy: -0.320
local terms energy: -33.059123
where:
bonds (distance) C4'-P energy: -11.211
bonds (distance) P-C4' energy: -9.887
flat angles C4'-P-C4' energy: -4.713
flat angles P-C4'-P energy: -4.747
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: 10, replica: 2
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -63.724737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.724737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.724737 (E_RNA)
where:
Base-Base interactions energy: -18.915
where: short stacking energy: -18.915
Base-Backbone interact. energy: -0.021
local terms energy: -44.789070
where:
bonds (distance) C4'-P energy: -11.319
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -11.521
flat angles P-C4'-P energy: -6.397
tors. eta vs tors. theta energy: -2.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -157.620838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.620838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.620838 (E_RNA)
where:
Base-Base interactions energy: -106.939
where: short stacking energy: -35.118
Base-Backbone interact. energy: -0.003
local terms energy: -50.678972
where:
bonds (distance) C4'-P energy: -9.869
bonds (distance) P-C4' energy: -9.829
flat angles C4'-P-C4' energy: -9.218
flat angles P-C4'-P energy: -10.613
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: 2, replica: 6
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -142.291383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.291383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.291383 (E_RNA)
where:
Base-Base interactions energy: -87.683
where: short stacking energy: -33.165
Base-Backbone interact. energy: -0.078
local terms energy: -54.530394
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -11.103
flat angles P-C4'-P energy: -5.917
tors. eta vs tors. theta energy: -10.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -136.215116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.215116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.215116 (E_RNA)
where:
Base-Base interactions energy: -88.199
where: short stacking energy: -32.324
Base-Backbone interact. energy: -0.067
local terms energy: -47.948952
where:
bonds (distance) C4'-P energy: -8.683
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -7.147
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: -10.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -135.514014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.514014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.514014 (E_RNA)
where:
Base-Base interactions energy: -91.115
where: short stacking energy: -30.286
Base-Backbone interact. energy: 0.382
local terms energy: -44.780613
where:
bonds (distance) C4'-P energy: -12.420
bonds (distance) P-C4' energy: -11.240
flat angles C4'-P-C4' energy: -8.387
flat angles P-C4'-P energy: -6.155
tors. eta vs tors. theta energy: -6.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -63.160402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.160402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.160402 (E_RNA)
where:
Base-Base interactions energy: -23.127
where: short stacking energy: -21.047
Base-Backbone interact. energy: -0.055
local terms energy: -39.977680
where:
bonds (distance) C4'-P energy: -8.156
bonds (distance) P-C4' energy: -9.007
flat angles C4'-P-C4' energy: -10.421
flat angles P-C4'-P energy: -9.606
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: 6, replica: 10
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -97.324571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.324571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.324571 (E_RNA)
where:
Base-Base interactions energy: -64.791
where: short stacking energy: -16.598
Base-Backbone interact. energy: 0.161
local terms energy: -32.694720
where:
bonds (distance) C4'-P energy: -7.217
bonds (distance) P-C4' energy: -9.340
flat angles C4'-P-C4' energy: -10.661
flat angles P-C4'-P energy: -4.601
tors. eta vs tors. theta energy: -0.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -63.350382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.350382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.350382 (E_RNA)
where:
Base-Base interactions energy: -21.253
where: short stacking energy: -18.020
Base-Backbone interact. energy: -0.126
local terms energy: -41.971367
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -9.645
flat angles P-C4'-P energy: -6.134
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: 8, replica: 1
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -64.392600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.392600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.392600 (E_RNA)
where:
Base-Base interactions energy: -35.165
where: short stacking energy: -16.271
Base-Backbone interact. energy: -1.046
local terms energy: -28.181740
where:
bonds (distance) C4'-P energy: -7.287
bonds (distance) P-C4' energy: -11.221
flat angles C4'-P-C4' energy: -10.389
flat angles P-C4'-P energy: -0.161
tors. eta vs tors. theta energy: 0.877
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: 9, replica: 7
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -53.227645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.227645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.227645 (E_RNA)
where:
Base-Base interactions energy: -16.365
where: short stacking energy: -12.137
Base-Backbone interact. energy: -0.513
local terms energy: -36.349599
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -2.347
tors. eta vs tors. theta energy: 2.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -56.098984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.098984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.098984 (E_RNA)
where:
Base-Base interactions energy: -18.233
where: short stacking energy: -17.864
Base-Backbone interact. energy: -0.051
local terms energy: -37.814762
where:
bonds (distance) C4'-P energy: -9.497
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -8.847
flat angles P-C4'-P energy: -2.828
tors. eta vs tors. theta energy: -4.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -149.152099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.152099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.152099 (E_RNA)
where:
Base-Base interactions energy: -93.783
where: short stacking energy: -44.727
Base-Backbone interact. energy: -0.423
local terms energy: -54.945900
where:
bonds (distance) C4'-P energy: -11.008
bonds (distance) P-C4' energy: -6.993
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -13.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -151.863327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.863327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.863327 (E_RNA)
where:
Base-Base interactions energy: -100.885
where: short stacking energy: -43.026
Base-Backbone interact. energy: -0.257
local terms energy: -50.720934
where:
bonds (distance) C4'-P energy: -7.369
bonds (distance) P-C4' energy: -12.731
flat angles C4'-P-C4' energy: -10.140
flat angles P-C4'-P energy: -8.419
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: 3, replica: 4
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -139.168981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.168981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.168981 (E_RNA)
where:
Base-Base interactions energy: -85.183
where: short stacking energy: -27.583
Base-Backbone interact. energy: -0.060
local terms energy: -53.925359
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -14.221
flat angles C4'-P-C4' energy: -11.137
flat angles P-C4'-P energy: -4.932
tors. eta vs tors. theta energy: -10.789
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: 4, replica: 5
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -128.025648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.025648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.025648 (E_RNA)
where:
Base-Base interactions energy: -74.927
where: short stacking energy: -39.014
Base-Backbone interact. energy: -0.004
local terms energy: -53.094661
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -10.017
flat angles C4'-P-C4' energy: -10.407
flat angles P-C4'-P energy: -8.972
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: 5, replica: 10
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -126.622026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.622026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.622026 (E_RNA)
where:
Base-Base interactions energy: -87.848
where: short stacking energy: -26.066
Base-Backbone interact. energy: -0.113
local terms energy: -38.661327
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -8.753
flat angles C4'-P-C4' energy: -6.209
flat angles P-C4'-P energy: -5.634
tors. eta vs tors. theta energy: -7.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -74.111235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.111235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.111235 (E_RNA)
where:
Base-Base interactions energy: -28.750
where: short stacking energy: -25.854
Base-Backbone interact. energy: -0.063
local terms energy: -45.298247
where:
bonds (distance) C4'-P energy: -10.007
bonds (distance) P-C4' energy: -11.568
flat angles C4'-P-C4' energy: -10.462
flat angles P-C4'-P energy: -3.134
tors. eta vs tors. theta energy: -10.128
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: 7, replica: 1
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -73.298939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.298939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.298939 (E_RNA)
where:
Base-Base interactions energy: -27.721
where: short stacking energy: -27.465
Base-Backbone interact. energy: -0.217
local terms energy: -45.361460
where:
bonds (distance) C4'-P energy: -8.417
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -10.130
flat angles P-C4'-P energy: -6.775
tors. eta vs tors. theta energy: -6.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -66.927216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.927216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.927216 (E_RNA)
where:
Base-Base interactions energy: -16.476
where: short stacking energy: -13.556
Base-Backbone interact. energy: -0.150
local terms energy: -50.301440
where:
bonds (distance) C4'-P energy: -14.092
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -12.713
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -2.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -60.067472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.067472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.067472 (E_RNA)
where:
Base-Base interactions energy: -26.703
where: short stacking energy: -21.046
Base-Backbone interact. energy: -0.023
local terms energy: -33.341550
where:
bonds (distance) C4'-P energy: -11.050
bonds (distance) P-C4' energy: -11.966
flat angles C4'-P-C4' energy: -8.598
flat angles P-C4'-P energy: -1.458
tors. eta vs tors. theta energy: -0.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -61.435093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.435093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.435093 (E_RNA)
where:
Base-Base interactions energy: -24.924
where: short stacking energy: -9.100
Base-Backbone interact. energy: -0.197
local terms energy: -36.313883
where:
bonds (distance) C4'-P energy: -11.318
bonds (distance) P-C4' energy: -11.513
flat angles C4'-P-C4' energy: -8.431
flat angles P-C4'-P energy: -7.341
tors. eta vs tors. theta energy: 2.289
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: 285
Temperature: 0.900000
Total energy: -138.884604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.884604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.884604 (E_RNA)
where:
Base-Base interactions energy: -93.949
where: short stacking energy: -32.603
Base-Backbone interact. energy: -0.048
local terms energy: -44.887633
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -11.335
flat angles C4'-P-C4' energy: -11.031
flat angles P-C4'-P energy: -5.278
tors. eta vs tors. theta energy: -5.938
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: 9
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -157.845921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.845921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.845921 (E_RNA)
where:
Base-Base interactions energy: -103.209
where: short stacking energy: -41.303
Base-Backbone interact. energy: -0.039
local terms energy: -54.598522
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -11.347
flat angles C4'-P-C4' energy: -11.365
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -9.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -143.797766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.797766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.797766 (E_RNA)
where:
Base-Base interactions energy: -94.889
where: short stacking energy: -30.701
Base-Backbone interact. energy: -0.018
local terms energy: -48.890768
where:
bonds (distance) C4'-P energy: -11.501
bonds (distance) P-C4' energy: -10.895
flat angles C4'-P-C4' energy: -10.398
flat angles P-C4'-P energy: -6.477
tors. eta vs tors. theta energy: -9.620
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: 4, replica: 5
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -144.106475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.106475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.106475 (E_RNA)
where:
Base-Base interactions energy: -90.962
where: short stacking energy: -39.230
Base-Backbone interact. energy: -0.718
local terms energy: -52.426278
where:
bonds (distance) C4'-P energy: -10.681
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -10.523
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -11.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -110.681976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.681976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.681976 (E_RNA)
where:
Base-Base interactions energy: -64.544
where: short stacking energy: -21.824
Base-Backbone interact. energy: -0.200
local terms energy: -45.938422
where:
bonds (distance) C4'-P energy: -9.216
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -11.278
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -1.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -104.241014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.241014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.241014 (E_RNA)
where:
Base-Base interactions energy: -64.594
where: short stacking energy: -23.932
Base-Backbone interact. energy: -0.038
local terms energy: -39.609074
where:
bonds (distance) C4'-P energy: -8.206
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -7.840
flat angles P-C4'-P energy: -5.481
tors. eta vs tors. theta energy: -6.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -68.691776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.691776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.691776 (E_RNA)
where:
Base-Base interactions energy: -27.105
where: short stacking energy: -16.202
Base-Backbone interact. energy: -0.523
local terms energy: -41.063372
where:
bonds (distance) C4'-P energy: -10.404
bonds (distance) P-C4' energy: -12.612
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -4.206
tors. eta vs tors. theta energy: -1.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -65.542417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.542417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.542417 (E_RNA)
where:
Base-Base interactions energy: -33.152
where: short stacking energy: -26.020
Base-Backbone interact. energy: -0.012
local terms energy: -32.377833
where:
bonds (distance) C4'-P energy: -7.104
bonds (distance) P-C4' energy: -12.566
flat angles C4'-P-C4' energy: -3.106
flat angles P-C4'-P energy: -3.693
tors. eta vs tors. theta energy: -5.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -59.721304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.721304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.721304 (E_RNA)
where:
Base-Base interactions energy: -26.813
where: short stacking energy: -14.542
Base-Backbone interact. energy: -0.053
local terms energy: -32.855110
where:
bonds (distance) C4'-P energy: -10.139
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -6.434
flat angles P-C4'-P energy: -4.928
tors. eta vs tors. theta energy: 1.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -67.355539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.355539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.355539 (E_RNA)
where:
Base-Base interactions energy: -32.225
where: short stacking energy: -16.735
Base-Backbone interact. energy: -1.137
local terms energy: -33.993528
where:
bonds (distance) C4'-P energy: -7.838
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -5.976
flat angles P-C4'-P energy: -7.411
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: 1, replica: 6
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -146.018207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.018207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.018207 (E_RNA)
where:
Base-Base interactions energy: -96.660
where: short stacking energy: -36.208
Base-Backbone interact. energy: -0.019
local terms energy: -49.339473
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -11.169
flat angles C4'-P-C4' energy: -6.071
flat angles P-C4'-P energy: -6.944
tors. eta vs tors. theta energy: -12.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -140.609496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.609496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.609496 (E_RNA)
where:
Base-Base interactions energy: -91.377
where: short stacking energy: -39.281
Base-Backbone interact. energy: -0.068
local terms energy: -49.164186
where:
bonds (distance) C4'-P energy: -6.995
bonds (distance) P-C4' energy: -11.814
flat angles C4'-P-C4' energy: -8.887
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -12.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -144.984358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.984358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.984358 (E_RNA)
where:
Base-Base interactions energy: -98.037
where: short stacking energy: -28.279
Base-Backbone interact. energy: -0.058
local terms energy: -46.888688
where:
bonds (distance) C4'-P energy: -9.003
bonds (distance) P-C4' energy: -11.346
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -3.764
tors. eta vs tors. theta energy: -10.063
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: 4
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -144.274028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.274028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.274028 (E_RNA)
where:
Base-Base interactions energy: -91.655
where: short stacking energy: -34.996
Base-Backbone interact. energy: -0.193
local terms energy: -52.425379
where:
bonds (distance) C4'-P energy: -8.553
bonds (distance) P-C4' energy: -10.950
flat angles C4'-P-C4' energy: -11.605
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -12.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -116.887207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.887207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.887207 (E_RNA)
where:
Base-Base interactions energy: -71.108
where: short stacking energy: -29.722
Base-Backbone interact. energy: -0.263
local terms energy: -45.515893
where:
bonds (distance) C4'-P energy: -8.131
bonds (distance) P-C4' energy: -10.577
flat angles C4'-P-C4' energy: -11.017
flat angles P-C4'-P energy: -6.900
tors. eta vs tors. theta energy: -8.891
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: 10
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -101.899855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.899855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.899855 (E_RNA)
where:
Base-Base interactions energy: -62.932
where: short stacking energy: -14.365
Base-Backbone interact. energy: -0.527
local terms energy: -38.441045
where:
bonds (distance) C4'-P energy: -8.322
bonds (distance) P-C4' energy: -10.166
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -7.180
tors. eta vs tors. theta energy: -0.108
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: 3
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -68.303567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.303567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.303567 (E_RNA)
where:
Base-Base interactions energy: -29.262
where: short stacking energy: -23.492
Base-Backbone interact. energy: -0.119
local terms energy: -38.923033
where:
bonds (distance) C4'-P energy: -7.713
bonds (distance) P-C4' energy: -10.780
flat angles C4'-P-C4' energy: -11.213
flat angles P-C4'-P energy: -6.338
tors. eta vs tors. theta energy: -2.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -68.799885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.799885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.799885 (E_RNA)
where:
Base-Base interactions energy: -27.420
where: short stacking energy: -25.938
Base-Backbone interact. energy: -0.393
local terms energy: -40.986992
where:
bonds (distance) C4'-P energy: -8.271
bonds (distance) P-C4' energy: -9.912
flat angles C4'-P-C4' energy: -10.598
flat angles P-C4'-P energy: -4.588
tors. eta vs tors. theta energy: -7.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -57.499243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.499243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.499243 (E_RNA)
where:
Base-Base interactions energy: -13.273
where: short stacking energy: -13.180
Base-Backbone interact. energy: 0.498
local terms energy: -44.725049
where:
bonds (distance) C4'-P energy: -9.328
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -9.738
flat angles P-C4'-P energy: -5.978
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: 2
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -56.959701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.959701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.959701 (E_RNA)
where:
Base-Base interactions energy: -20.594
where: short stacking energy: -4.998
Base-Backbone interact. energy: -0.252
local terms energy: -36.113811
where:
bonds (distance) C4'-P energy: -10.618
bonds (distance) P-C4' energy: -8.610
flat angles C4'-P-C4' energy: -9.858
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: 2.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -157.323903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.323903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.323903 (E_RNA)
where:
Base-Base interactions energy: -103.351
where: short stacking energy: -33.886
Base-Backbone interact. energy: -0.045
local terms energy: -53.927432
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -8.546
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -9.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -133.213869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.213869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.213869 (E_RNA)
where:
Base-Base interactions energy: -79.663
where: short stacking energy: -31.199
Base-Backbone interact. energy: -0.073
local terms energy: -53.478060
where:
bonds (distance) C4'-P energy: -13.086
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -4.820
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: 3, replica: 9
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -143.335051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.335051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.335051 (E_RNA)
where:
Base-Base interactions energy: -91.249
where: short stacking energy: -34.988
Base-Backbone interact. energy: -0.156
local terms energy: -51.930402
where:
bonds (distance) C4'-P energy: -10.540
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -4.081
tors. eta vs tors. theta energy: -9.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -138.299715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.299715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.299715 (E_RNA)
where:
Base-Base interactions energy: -84.206
where: short stacking energy: -31.118
Base-Backbone interact. energy: -1.048
local terms energy: -53.045547
where:
bonds (distance) C4'-P energy: -10.669
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -11.398
flat angles P-C4'-P energy: -7.817
tors. eta vs tors. theta energy: -9.477
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: 1
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -114.573299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.573299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.573299 (E_RNA)
where:
Base-Base interactions energy: -65.916
where: short stacking energy: -37.369
Base-Backbone interact. energy: -0.003
local terms energy: -48.653752
where:
bonds (distance) C4'-P energy: -10.657
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -6.732
tors. eta vs tors. theta energy: -6.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -74.039968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.039968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.039968 (E_RNA)
where:
Base-Base interactions energy: -32.316
where: short stacking energy: -21.763
Base-Backbone interact. energy: -0.000
local terms energy: -41.723887
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -4.285
flat angles C4'-P-C4' energy: -10.757
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -4.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -71.630476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.630476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.630476 (E_RNA)
where:
Base-Base interactions energy: -24.521
where: short stacking energy: -19.710
Base-Backbone interact. energy: -0.178
local terms energy: -46.932417
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -11.069
flat angles P-C4'-P energy: -5.843
tors. eta vs tors. theta energy: -5.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -67.363418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.363418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.363418 (E_RNA)
where:
Base-Base interactions energy: -19.465
where: short stacking energy: -18.406
Base-Backbone interact. energy: -0.030
local terms energy: -47.867574
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -11.736
flat angles C4'-P-C4' energy: -7.905
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -5.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -67.499488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.499488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.499488 (E_RNA)
where:
Base-Base interactions energy: -29.721
where: short stacking energy: -28.164
Base-Backbone interact. energy: 0.145
local terms energy: -37.924237
where:
bonds (distance) C4'-P energy: -10.235
bonds (distance) P-C4' energy: -10.243
flat angles C4'-P-C4' energy: -11.960
flat angles P-C4'-P energy: -3.665
tors. eta vs tors. theta energy: -1.821
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: 2
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -56.738700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.738700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.738700 (E_RNA)
where:
Base-Base interactions energy: -14.643
where: short stacking energy: -14.643
Base-Backbone interact. energy: -0.039
local terms energy: -42.057463
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -8.775
flat angles C4'-P-C4' energy: -10.358
flat angles P-C4'-P energy: -6.503
tors. eta vs tors. theta energy: -3.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -159.910551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.910551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.910551 (E_RNA)
where:
Base-Base interactions energy: -103.588
where: short stacking energy: -44.550
Base-Backbone interact. energy: -0.001
local terms energy: -56.321221
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -12.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -140.751736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.751736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.751736 (E_RNA)
where:
Base-Base interactions energy: -97.281
where: short stacking energy: -34.109
Base-Backbone interact. energy: -0.160
local terms energy: -43.309863
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -11.736
flat angles C4'-P-C4' energy: -8.193
flat angles P-C4'-P energy: -1.847
tors. eta vs tors. theta energy: -10.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -147.192582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.192582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.192582 (E_RNA)
where:
Base-Base interactions energy: -98.902
where: short stacking energy: -43.181
Base-Backbone interact. energy: -0.105
local terms energy: -48.185625
where:
bonds (distance) C4'-P energy: -11.716
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -10.220
flat angles P-C4'-P energy: -3.414
tors. eta vs tors. theta energy: -11.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -142.218139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.218139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.218139 (E_RNA)
where:
Base-Base interactions energy: -89.865
where: short stacking energy: -34.351
Base-Backbone interact. energy: -0.028
local terms energy: -52.325569
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -12.327
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -1.684
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: 5, replica: 3
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -116.023540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.023540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.023540 (E_RNA)
where:
Base-Base interactions energy: -70.811
where: short stacking energy: -27.271
Base-Backbone interact. energy: -0.096
local terms energy: -45.115977
where:
bonds (distance) C4'-P energy: -12.172
bonds (distance) P-C4' energy: -12.635
flat angles C4'-P-C4' energy: -10.963
flat angles P-C4'-P energy: -3.065
tors. eta vs tors. theta energy: -6.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -113.460807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.460807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.460807 (E_RNA)
where:
Base-Base interactions energy: -73.733
where: short stacking energy: -33.797
Base-Backbone interact. energy: -0.127
local terms energy: -39.600654
where:
bonds (distance) C4'-P energy: -10.252
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -10.781
flat angles P-C4'-P energy: -1.780
tors. eta vs tors. theta energy: -4.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -69.417290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.417290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.417290 (E_RNA)
where:
Base-Base interactions energy: -29.788
where: short stacking energy: -29.767
Base-Backbone interact. energy: 0.713
local terms energy: -40.342937
where:
bonds (distance) C4'-P energy: -12.296
bonds (distance) P-C4' energy: -10.281
flat angles C4'-P-C4' energy: -11.262
flat angles P-C4'-P energy: -1.881
tors. eta vs tors. theta energy: -4.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -60.118320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.118320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.118320 (E_RNA)
where:
Base-Base interactions energy: -19.854
where: short stacking energy: -17.494
Base-Backbone interact. energy: -0.064
local terms energy: -40.199811
where:
bonds (distance) C4'-P energy: -6.189
bonds (distance) P-C4' energy: -10.718
flat angles C4'-P-C4' energy: -11.093
flat angles P-C4'-P energy: -7.671
tors. eta vs tors. theta energy: -4.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -55.746341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.746341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.746341 (E_RNA)
where:
Base-Base interactions energy: -20.588
where: short stacking energy: -11.044
Base-Backbone interact. energy: -0.242
local terms energy: -34.916141
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -10.817
flat angles C4'-P-C4' energy: -5.429
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: 1.371
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: 8
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -54.690659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.690659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.690659 (E_RNA)
where:
Base-Base interactions energy: -25.317
where: short stacking energy: -12.869
Base-Backbone interact. energy: -0.010
local terms energy: -29.363423
where:
bonds (distance) C4'-P energy: -5.667
bonds (distance) P-C4' energy: -12.127
flat angles C4'-P-C4' energy: -6.449
flat angles P-C4'-P energy: -4.720
tors. eta vs tors. theta energy: -0.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -151.378582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.378582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.378582 (E_RNA)
where:
Base-Base interactions energy: -99.130
where: short stacking energy: -34.507
Base-Backbone interact. energy: -0.102
local terms energy: -52.147164
where:
bonds (distance) C4'-P energy: -11.156
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -5.802
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: 2, replica: 4
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -160.553204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.553204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.553204 (E_RNA)
where:
Base-Base interactions energy: -111.155
where: short stacking energy: -37.142
Base-Backbone interact. energy: -0.072
local terms energy: -49.325855
where:
bonds (distance) C4'-P energy: -10.164
bonds (distance) P-C4' energy: -13.403
flat angles C4'-P-C4' energy: -9.241
flat angles P-C4'-P energy: -7.081
tors. eta vs tors. theta energy: -9.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -142.408468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.408468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.408468 (E_RNA)
where:
Base-Base interactions energy: -97.135
where: short stacking energy: -45.801
Base-Backbone interact. energy: -0.003
local terms energy: -45.270452
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -8.887
flat angles C4'-P-C4' energy: -10.126
flat angles P-C4'-P energy: -1.508
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: 4, replica: 3
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -107.812264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.812264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.812264 (E_RNA)
where:
Base-Base interactions energy: -69.439
where: short stacking energy: -21.427
Base-Backbone interact. energy: -0.277
local terms energy: -38.095900
where:
bonds (distance) C4'-P energy: -10.395
bonds (distance) P-C4' energy: -9.474
flat angles C4'-P-C4' energy: -10.020
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -1.378
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: 9
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -135.991897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.991897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.991897 (E_RNA)
where:
Base-Base interactions energy: -84.946
where: short stacking energy: -38.529
Base-Backbone interact. energy: -0.066
local terms energy: -50.979255
where:
bonds (distance) C4'-P energy: -11.513
bonds (distance) P-C4' energy: -10.366
flat angles C4'-P-C4' energy: -12.304
flat angles P-C4'-P energy: -5.679
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: 6, replica: 1
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -100.879344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.879344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.879344 (E_RNA)
where:
Base-Base interactions energy: -48.435
where: short stacking energy: -20.579
Base-Backbone interact. energy: -0.085
local terms energy: -52.358686
where:
bonds (distance) C4'-P energy: -11.104
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -11.484
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -8.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -70.289977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.289977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.289977 (E_RNA)
where:
Base-Base interactions energy: -21.803
where: short stacking energy: -19.371
Base-Backbone interact. energy: -0.183
local terms energy: -48.303921
where:
bonds (distance) C4'-P energy: -11.450
bonds (distance) P-C4' energy: -9.126
flat angles C4'-P-C4' energy: -10.684
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -7.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -57.341664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.341664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.341664 (E_RNA)
where:
Base-Base interactions energy: -24.439
where: short stacking energy: -11.818
Base-Backbone interact. energy: -0.027
local terms energy: -32.875134
where:
bonds (distance) C4'-P energy: -9.890
bonds (distance) P-C4' energy: -10.694
flat angles C4'-P-C4' energy: -9.780
flat angles P-C4'-P energy: -4.139
tors. eta vs tors. theta energy: 1.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -71.182280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.182280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.182280 (E_RNA)
where:
Base-Base interactions energy: -31.271
where: short stacking energy: -18.288
Base-Backbone interact. energy: -0.105
local terms energy: -39.806453
where:
bonds (distance) C4'-P energy: -7.958
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -9.684
flat angles P-C4'-P energy: -5.784
tors. eta vs tors. theta energy: -2.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -56.176485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.176485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.176485 (E_RNA)
where:
Base-Base interactions energy: -16.217
where: short stacking energy: -13.304
Base-Backbone interact. energy: -0.186
local terms energy: -39.773638
where:
bonds (distance) C4'-P energy: -9.872
bonds (distance) P-C4' energy: -11.041
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -3.927
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: 1, replica: 4
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -158.332423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.332423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.332423 (E_RNA)
where:
Base-Base interactions energy: -107.596
where: short stacking energy: -38.430
Base-Backbone interact. energy: -0.007
local terms energy: -50.730007
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -9.412
flat angles C4'-P-C4' energy: -10.522
flat angles P-C4'-P energy: -5.949
tors. eta vs tors. theta energy: -10.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -146.761796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.761796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.761796 (E_RNA)
where:
Base-Base interactions energy: -97.126
where: short stacking energy: -35.282
Base-Backbone interact. energy: -0.098
local terms energy: -49.538063
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -12.982
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -3.520
tors. eta vs tors. theta energy: -8.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -153.480902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.480902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.480902 (E_RNA)
where:
Base-Base interactions energy: -98.511
where: short stacking energy: -37.136
Base-Backbone interact. energy: 0.689
local terms energy: -55.658737
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -12.089
flat angles C4'-P-C4' energy: -11.194
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -12.029
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: 3
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -129.339909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.339909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.339909 (E_RNA)
where:
Base-Base interactions energy: -79.488
where: short stacking energy: -18.846
Base-Backbone interact. energy: -0.116
local terms energy: -49.735681
where:
bonds (distance) C4'-P energy: -10.002
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -10.944
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -8.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -136.063585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.063585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.063585 (E_RNA)
where:
Base-Base interactions energy: -83.121
where: short stacking energy: -34.149
Base-Backbone interact. energy: -0.212
local terms energy: -52.730033
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -13.171
flat angles C4'-P-C4' energy: -7.568
flat angles P-C4'-P energy: -7.704
tors. eta vs tors. theta energy: -13.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -79.546449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.546449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.546449 (E_RNA)
where:
Base-Base interactions energy: -36.603
where: short stacking energy: -19.006
Base-Backbone interact. energy: -0.280
local terms energy: -42.663515
where:
bonds (distance) C4'-P energy: -10.432
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -10.082
flat angles P-C4'-P energy: -5.176
tors. eta vs tors. theta energy: -3.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -77.637404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.637404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.637404 (E_RNA)
where:
Base-Base interactions energy: -40.398
where: short stacking energy: -15.449
Base-Backbone interact. energy: -0.182
local terms energy: -37.057318
where:
bonds (distance) C4'-P energy: -11.434
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -7.745
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: 2.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -59.020342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.020342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.020342 (E_RNA)
where:
Base-Base interactions energy: -28.748
where: short stacking energy: -12.707
Base-Backbone interact. energy: -0.342
local terms energy: -29.930751
where:
bonds (distance) C4'-P energy: -11.418
bonds (distance) P-C4' energy: -6.778
flat angles C4'-P-C4' energy: -6.799
flat angles P-C4'-P energy: -3.685
tors. eta vs tors. theta energy: -1.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -56.333017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.333017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.333017 (E_RNA)
where:
Base-Base interactions energy: -14.858
where: short stacking energy: -14.858
Base-Backbone interact. energy: -0.177
local terms energy: -41.298278
where:
bonds (distance) C4'-P energy: -11.045
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -3.222
tors. eta vs tors. theta energy: -1.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -61.232103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.232103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.232103 (E_RNA)
where:
Base-Base interactions energy: -22.570
where: short stacking energy: -8.023
Base-Backbone interact. energy: -0.489
local terms energy: -38.172620
where:
bonds (distance) C4'-P energy: -11.559
bonds (distance) P-C4' energy: -9.225
flat angles C4'-P-C4' energy: -10.246
flat angles P-C4'-P energy: -8.049
tors. eta vs tors. theta energy: 0.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -158.847661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.847661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.847661 (E_RNA)
where:
Base-Base interactions energy: -102.096
where: short stacking energy: -45.390
Base-Backbone interact. energy: -0.683
local terms energy: -56.069133
where:
bonds (distance) C4'-P energy: -10.303
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -8.157
tors. eta vs tors. theta energy: -10.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -153.164017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.164017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.164017 (E_RNA)
where:
Base-Base interactions energy: -93.106
where: short stacking energy: -39.570
Base-Backbone interact. energy: -0.112
local terms energy: -59.945636
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -11.855
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: -13.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -147.736584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.736584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.736584 (E_RNA)
where:
Base-Base interactions energy: -95.030
where: short stacking energy: -40.881
Base-Backbone interact. energy: -0.057
local terms energy: -52.649500
where:
bonds (distance) C4'-P energy: -11.766
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -7.929
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -10.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -139.279515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.279515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.279515 (E_RNA)
where:
Base-Base interactions energy: -85.827
where: short stacking energy: -41.560
Base-Backbone interact. energy: -0.110
local terms energy: -53.342469
where:
bonds (distance) C4'-P energy: -11.154
bonds (distance) P-C4' energy: -9.678
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: -12.762
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: 3
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -99.790340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.790340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.790340 (E_RNA)
where:
Base-Base interactions energy: -52.446
where: short stacking energy: -19.065
Base-Backbone interact. energy: -0.168
local terms energy: -47.176268
where:
bonds (distance) C4'-P energy: -8.311
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -10.508
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -5.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -68.600362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.600362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.600362 (E_RNA)
where:
Base-Base interactions energy: -26.945
where: short stacking energy: -11.029
Base-Backbone interact. energy: -0.110
local terms energy: -41.545397
where:
bonds (distance) C4'-P energy: -11.518
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -10.498
flat angles P-C4'-P energy: -4.079
tors. eta vs tors. theta energy: -1.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -72.139175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.139175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.139175 (E_RNA)
where:
Base-Base interactions energy: -32.349
where: short stacking energy: -23.211
Base-Backbone interact. energy: -0.018
local terms energy: -39.772053
where:
bonds (distance) C4'-P energy: -10.959
bonds (distance) P-C4' energy: -7.905
flat angles C4'-P-C4' energy: -10.449
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -1.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -60.378871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.378871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.378871 (E_RNA)
where:
Base-Base interactions energy: -15.050
where: short stacking energy: -8.231
Base-Backbone interact. energy: -0.135
local terms energy: -45.194338
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -9.376
flat angles P-C4'-P energy: -7.264
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: 9, replica: 7
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -64.315246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.315246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.315246 (E_RNA)
where:
Base-Base interactions energy: -26.921
where: short stacking energy: -8.812
Base-Backbone interact. energy: -0.354
local terms energy: -37.040099
where:
bonds (distance) C4'-P energy: -7.141
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -8.715
flat angles P-C4'-P energy: -5.412
tors. eta vs tors. theta energy: -1.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -56.148293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.148293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.148293 (E_RNA)
where:
Base-Base interactions energy: -15.605
where: short stacking energy: -15.605
Base-Backbone interact. energy: -0.017
local terms energy: -40.525548
where:
bonds (distance) C4'-P energy: -11.124
bonds (distance) P-C4' energy: -11.927
flat angles C4'-P-C4' energy: -8.535
flat angles P-C4'-P energy: -6.622
tors. eta vs tors. theta energy: -2.318
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: 1, replica: 4
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -157.008312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.008312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.008312 (E_RNA)
where:
Base-Base interactions energy: -107.071
where: short stacking energy: -41.007
Base-Backbone interact. energy: -0.032
local terms energy: -49.905954
where:
bonds (distance) C4'-P energy: -8.355
bonds (distance) P-C4' energy: -10.532
flat angles C4'-P-C4' energy: -12.199
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: -10.905
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: 5
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -152.556353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.556353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.556353 (E_RNA)
where:
Base-Base interactions energy: -95.221
where: short stacking energy: -40.854
Base-Backbone interact. energy: -0.899
local terms energy: -56.436510
where:
bonds (distance) C4'-P energy: -9.323
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -11.778
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -13.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -149.256962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.256962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.256962 (E_RNA)
where:
Base-Base interactions energy: -101.170
where: short stacking energy: -23.522
Base-Backbone interact. energy: -0.119
local terms energy: -47.968127
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -6.674
flat angles P-C4'-P energy: -8.065
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: 4, replica: 6
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -143.202352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.202352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.202352 (E_RNA)
where:
Base-Base interactions energy: -91.365
where: short stacking energy: -35.520
Base-Backbone interact. energy: -0.068
local terms energy: -51.769652
where:
bonds (distance) C4'-P energy: -12.482
bonds (distance) P-C4' energy: -9.365
flat angles C4'-P-C4' energy: -12.411
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -9.728
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: 2
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -69.834834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.834834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.834834 (E_RNA)
where:
Base-Base interactions energy: -26.685
where: short stacking energy: -25.414
Base-Backbone interact. energy: -0.027
local terms energy: -43.122155
where:
bonds (distance) C4'-P energy: -9.493
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -10.162
flat angles P-C4'-P energy: -6.066
tors. eta vs tors. theta energy: -3.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -101.918322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.918322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.918322 (E_RNA)
where:
Base-Base interactions energy: -56.938
where: short stacking energy: -30.172
Base-Backbone interact. energy: -0.904
local terms energy: -44.076715
where:
bonds (distance) C4'-P energy: -8.242
bonds (distance) P-C4' energy: -8.053
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: -6.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -58.469706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.469706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.469706 (E_RNA)
where:
Base-Base interactions energy: -14.681
where: short stacking energy: -11.688
Base-Backbone interact. energy: -0.188
local terms energy: -43.600106
where:
bonds (distance) C4'-P energy: -12.896
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -8.899
flat angles P-C4'-P energy: -7.443
tors. eta vs tors. theta energy: -0.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -53.300454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.300454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.300454 (E_RNA)
where:
Base-Base interactions energy: -16.395
where: short stacking energy: -16.395
Base-Backbone interact. energy: -0.205
local terms energy: -36.700988
where:
bonds (distance) C4'-P energy: -6.416
bonds (distance) P-C4' energy: -10.669
flat angles C4'-P-C4' energy: -8.918
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -1.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -55.623676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.623676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.623676 (E_RNA)
where:
Base-Base interactions energy: -18.251
where: short stacking energy: -10.586
Base-Backbone interact. energy: 1.599
local terms energy: -38.971256
where:
bonds (distance) C4'-P energy: -11.820
bonds (distance) P-C4' energy: -11.424
flat angles C4'-P-C4' energy: -8.940
flat angles P-C4'-P energy: -6.856
tors. eta vs tors. theta energy: 0.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -57.488561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.488561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.488561 (E_RNA)
where:
Base-Base interactions energy: -23.880
where: short stacking energy: -20.720
Base-Backbone interact. energy: -0.127
local terms energy: -33.481533
where:
bonds (distance) C4'-P energy: -9.518
bonds (distance) P-C4' energy: -10.196
flat angles C4'-P-C4' energy: -10.897
flat angles P-C4'-P energy: -1.483
tors. eta vs tors. theta energy: -1.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -153.069341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.069341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.069341 (E_RNA)
where:
Base-Base interactions energy: -100.844
where: short stacking energy: -42.139
Base-Backbone interact. energy: 0.569
local terms energy: -52.794077
where:
bonds (distance) C4'-P energy: -13.372
bonds (distance) P-C4' energy: -10.297
flat angles C4'-P-C4' energy: -9.207
flat angles P-C4'-P energy: -6.740
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: 2, replica: 9
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -137.877982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.877982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.877982 (E_RNA)
where:
Base-Base interactions energy: -91.813
where: short stacking energy: -27.122
Base-Backbone interact. energy: -0.120
local terms energy: -45.944162
where:
bonds (distance) C4'-P energy: -9.898
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -7.459
flat angles P-C4'-P energy: -8.407
tors. eta vs tors. theta energy: -6.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -148.560960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.560960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.560960 (E_RNA)
where:
Base-Base interactions energy: -99.981
where: short stacking energy: -40.330
Base-Backbone interact. energy: -0.318
local terms energy: -48.261346
where:
bonds (distance) C4'-P energy: -8.656
bonds (distance) P-C4' energy: -10.594
flat angles C4'-P-C4' energy: -10.790
flat angles P-C4'-P energy: -5.866
tors. eta vs tors. theta energy: -12.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -137.988749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.988749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.988749 (E_RNA)
where:
Base-Base interactions energy: -91.242
where: short stacking energy: -33.090
Base-Backbone interact. energy: -0.067
local terms energy: -46.680085
where:
bonds (distance) C4'-P energy: -11.352
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: -9.678
flat angles P-C4'-P energy: -4.137
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: 5, replica: 2
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -73.318537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.318537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.318537 (E_RNA)
where:
Base-Base interactions energy: -25.216
where: short stacking energy: -25.216
Base-Backbone interact. energy: -0.370
local terms energy: -47.732914
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -9.492
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -3.436
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: 3
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -136.226209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.226209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.226209 (E_RNA)
where:
Base-Base interactions energy: -88.488
where: short stacking energy: -32.140
Base-Backbone interact. energy: -0.170
local terms energy: -47.568291
where:
bonds (distance) C4'-P energy: -14.225
bonds (distance) P-C4' energy: -9.510
flat angles C4'-P-C4' energy: -9.348
flat angles P-C4'-P energy: -6.515
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: 7, replica: 8
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -78.213856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.213856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.213856 (E_RNA)
where:
Base-Base interactions energy: -42.676
where: short stacking energy: -21.633
Base-Backbone interact. energy: -0.449
local terms energy: -35.088929
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -11.095
flat angles C4'-P-C4' energy: -6.595
flat angles P-C4'-P energy: -1.801
tors. eta vs tors. theta energy: -4.104
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: 293
Temperature: 1.250000
Total energy: -59.641082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.641082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.641082 (E_RNA)
where:
Base-Base interactions energy: -18.858
where: short stacking energy: -9.876
Base-Backbone interact. energy: -0.156
local terms energy: -40.627079
where:
bonds (distance) C4'-P energy: -10.297
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -9.001
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -0.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -59.617734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.617734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.617734 (E_RNA)
where:
Base-Base interactions energy: -12.071
where: short stacking energy: -11.950
Base-Backbone interact. energy: -0.068
local terms energy: -47.479160
where:
bonds (distance) C4'-P energy: -13.786
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -10.049
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -1.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -60.822309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.822309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.822309 (E_RNA)
where:
Base-Base interactions energy: -19.560
where: short stacking energy: -11.033
Base-Backbone interact. energy: -0.110
local terms energy: -41.151783
where:
bonds (distance) C4'-P energy: -13.637
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -6.926
flat angles P-C4'-P energy: -6.295
tors. eta vs tors. theta energy: -1.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -149.930728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.930728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.930728 (E_RNA)
where:
Base-Base interactions energy: -104.322
where: short stacking energy: -37.979
Base-Backbone interact. energy: 0.667
local terms energy: -46.275445
where:
bonds (distance) C4'-P energy: -12.180
bonds (distance) P-C4' energy: -14.911
flat angles C4'-P-C4' energy: -9.794
flat angles P-C4'-P energy: -2.448
tors. eta vs tors. theta energy: -6.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -148.211162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.211162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.211162 (E_RNA)
where:
Base-Base interactions energy: -88.925
where: short stacking energy: -43.436
Base-Backbone interact. energy: -0.001
local terms energy: -59.285746
where:
bonds (distance) C4'-P energy: -12.255
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -9.442
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -14.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -146.669315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.669315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.669315 (E_RNA)
where:
Base-Base interactions energy: -97.699
where: short stacking energy: -27.541
Base-Backbone interact. energy: -0.227
local terms energy: -48.742931
where:
bonds (distance) C4'-P energy: -10.205
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -9.876
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: -8.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -134.772819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.772819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.772819 (E_RNA)
where:
Base-Base interactions energy: -81.067
where: short stacking energy: -35.469
Base-Backbone interact. energy: -0.166
local terms energy: -53.539183
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -5.942
tors. eta vs tors. theta energy: -9.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -74.958606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.958606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.958606 (E_RNA)
where:
Base-Base interactions energy: -35.166
where: short stacking energy: -14.357
Base-Backbone interact. energy: -0.022
local terms energy: -39.770212
where:
bonds (distance) C4'-P energy: -13.094
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -10.482
flat angles P-C4'-P energy: -5.168
tors. eta vs tors. theta energy: 2.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -63.242793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.242793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.242793 (E_RNA)
where:
Base-Base interactions energy: -21.471
where: short stacking energy: -17.138
Base-Backbone interact. energy: -0.151
local terms energy: -41.620204
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -11.675
flat angles C4'-P-C4' energy: -8.328
flat angles P-C4'-P energy: -7.553
tors. eta vs tors. theta energy: -1.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -63.147455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.147455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.147455 (E_RNA)
where:
Base-Base interactions energy: -23.728
where: short stacking energy: -17.408
Base-Backbone interact. energy: -0.147
local terms energy: -39.272626
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -11.021
flat angles C4'-P-C4' energy: -9.476
flat angles P-C4'-P energy: -7.216
tors. eta vs tors. theta energy: -0.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -61.626432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.626432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.626432 (E_RNA)
where:
Base-Base interactions energy: -16.328
where: short stacking energy: -16.328
Base-Backbone interact. energy: -0.036
local terms energy: -45.262255
where:
bonds (distance) C4'-P energy: -9.916
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -11.006
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -3.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -66.782592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.782592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.782592 (E_RNA)
where:
Base-Base interactions energy: -23.463
where: short stacking energy: -23.463
Base-Backbone interact. energy: -0.200
local terms energy: -43.119408
where:
bonds (distance) C4'-P energy: -13.041
bonds (distance) P-C4' energy: -10.886
flat angles C4'-P-C4' energy: -11.267
flat angles P-C4'-P energy: -6.577
tors. eta vs tors. theta energy: -1.348
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: 1
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -66.040145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.040145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.040145 (E_RNA)
where:
Base-Base interactions energy: -32.910
where: short stacking energy: -16.597
Base-Backbone interact. energy: -0.084
local terms energy: -33.045840
where:
bonds (distance) C4'-P energy: -10.607
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -7.363
flat angles P-C4'-P energy: -5.659
tors. eta vs tors. theta energy: 4.134
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: 9
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -155.142111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.142111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.142111 (E_RNA)
where:
Base-Base interactions energy: -104.113
where: short stacking energy: -36.637
Base-Backbone interact. energy: 0.128
local terms energy: -51.156713
where:
bonds (distance) C4'-P energy: -10.171
bonds (distance) P-C4' energy: -13.386
flat angles C4'-P-C4' energy: -11.931
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -6.567
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: 2, replica: 6
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -151.474535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.474535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.474535 (E_RNA)
where:
Base-Base interactions energy: -95.277
where: short stacking energy: -36.989
Base-Backbone interact. energy: 0.857
local terms energy: -57.054364
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -6.958
tors. eta vs tors. theta energy: -11.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -135.504913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.504913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.504913 (E_RNA)
where:
Base-Base interactions energy: -81.831
where: short stacking energy: -29.334
Base-Backbone interact. energy: -0.053
local terms energy: -53.620729
where:
bonds (distance) C4'-P energy: -11.932
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -9.383
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -9.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -145.206931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.206931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.206931 (E_RNA)
where:
Base-Base interactions energy: -85.770
where: short stacking energy: -37.539
Base-Backbone interact. energy: -0.404
local terms energy: -59.033040
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -9.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -80.314947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.314947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.314947 (E_RNA)
where:
Base-Base interactions energy: -35.616
where: short stacking energy: -21.779
Base-Backbone interact. energy: -0.033
local terms energy: -44.666064
where:
bonds (distance) C4'-P energy: -10.797
bonds (distance) P-C4' energy: -9.675
flat angles C4'-P-C4' energy: -9.659
flat angles P-C4'-P energy: -7.388
tors. eta vs tors. theta energy: -7.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -67.506647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.506647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.506647 (E_RNA)
where:
Base-Base interactions energy: -31.600
where: short stacking energy: -15.370
Base-Backbone interact. energy: -0.042
local terms energy: -35.864671
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -8.151
flat angles C4'-P-C4' energy: -9.567
flat angles P-C4'-P energy: -4.875
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: 7, replica: 2
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -66.786211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.786211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.786211 (E_RNA)
where:
Base-Base interactions energy: -21.773
where: short stacking energy: -20.672
Base-Backbone interact. energy: -0.029
local terms energy: -44.984591
where:
bonds (distance) C4'-P energy: -12.126
bonds (distance) P-C4' energy: -12.484
flat angles C4'-P-C4' energy: -11.702
flat angles P-C4'-P energy: -6.363
tors. eta vs tors. theta energy: -2.308
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: 8, replica: 10
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -75.557695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.557695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.557695 (E_RNA)
where:
Base-Base interactions energy: -35.738
where: short stacking energy: -15.015
Base-Backbone interact. energy: -0.013
local terms energy: -39.806016
where:
bonds (distance) C4'-P energy: -7.369
bonds (distance) P-C4' energy: -9.464
flat angles C4'-P-C4' energy: -11.372
flat angles P-C4'-P energy: -7.171
tors. eta vs tors. theta energy: -4.430
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: 8
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -63.762162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.762162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.762162 (E_RNA)
where:
Base-Base interactions energy: -32.612
where: short stacking energy: -19.507
Base-Backbone interact. energy: -0.104
local terms energy: -31.045978
where:
bonds (distance) C4'-P energy: -7.105
bonds (distance) P-C4' energy: -9.770
flat angles C4'-P-C4' energy: -7.245
flat angles P-C4'-P energy: -6.445
tors. eta vs tors. theta energy: -0.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -53.923004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.923004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.923004 (E_RNA)
where:
Base-Base interactions energy: -16.215
where: short stacking energy: -16.215
Base-Backbone interact. energy: -0.002
local terms energy: -37.705722
where:
bonds (distance) C4'-P energy: -9.319
bonds (distance) P-C4' energy: -9.411
flat angles C4'-P-C4' energy: -9.734
flat angles P-C4'-P energy: -3.873
tors. eta vs tors. theta energy: -5.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -156.980937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.980937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.980937 (E_RNA)
where:
Base-Base interactions energy: -107.323
where: short stacking energy: -45.365
Base-Backbone interact. energy: -0.003
local terms energy: -49.655084
where:
bonds (distance) C4'-P energy: -11.166
bonds (distance) P-C4' energy: -10.581
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -3.804
tors. eta vs tors. theta energy: -10.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -157.367670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.367670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.367670 (E_RNA)
where:
Base-Base interactions energy: -109.453
where: short stacking energy: -38.465
Base-Backbone interact. energy: 1.219
local terms energy: -49.134491
where:
bonds (distance) C4'-P energy: -11.903
bonds (distance) P-C4' energy: -10.823
flat angles C4'-P-C4' energy: -9.442
flat angles P-C4'-P energy: -2.238
tors. eta vs tors. theta energy: -14.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -145.501709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.501709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.501709 (E_RNA)
where:
Base-Base interactions energy: -93.240
where: short stacking energy: -41.934
Base-Backbone interact. energy: -0.075
local terms energy: -52.186736
where:
bonds (distance) C4'-P energy: -9.746
bonds (distance) P-C4' energy: -10.525
flat angles C4'-P-C4' energy: -11.979
flat angles P-C4'-P energy: -6.181
tors. eta vs tors. theta energy: -13.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -126.058247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.058247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.058247 (E_RNA)
where:
Base-Base interactions energy: -75.900
where: short stacking energy: -34.359
Base-Backbone interact. energy: -0.349
local terms energy: -49.809052
where:
bonds (distance) C4'-P energy: -8.011
bonds (distance) P-C4' energy: -12.406
flat angles C4'-P-C4' energy: -8.452
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -10.250
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: 296
Temperature: 1.100000
Total energy: -70.550204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.550204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.550204 (E_RNA)
where:
Base-Base interactions energy: -29.180
where: short stacking energy: -27.149
Base-Backbone interact. energy: -0.128
local terms energy: -41.242197
where:
bonds (distance) C4'-P energy: -8.868
bonds (distance) P-C4' energy: -14.221
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: 0.613
tors. eta vs tors. theta energy: -5.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -94.234479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.234479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.234479 (E_RNA)
where:
Base-Base interactions energy: -49.054
where: short stacking energy: -22.770
Base-Backbone interact. energy: -0.044
local terms energy: -45.135856
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -7.633
flat angles P-C4'-P energy: -4.202
tors. eta vs tors. theta energy: -8.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -65.990862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.990862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.990862 (E_RNA)
where:
Base-Base interactions energy: -27.714
where: short stacking energy: -9.490
Base-Backbone interact. energy: -0.726
local terms energy: -37.551644
where:
bonds (distance) C4'-P energy: -12.801
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -3.049
tors. eta vs tors. theta energy: 3.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -67.999677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.999677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.999677 (E_RNA)
where:
Base-Base interactions energy: -25.510
where: short stacking energy: -25.330
Base-Backbone interact. energy: 0.914
local terms energy: -43.403576
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -10.590
flat angles P-C4'-P energy: -4.846
tors. eta vs tors. theta energy: -1.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -54.326155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.326155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.326155 (E_RNA)
where:
Base-Base interactions energy: -11.145
where: short stacking energy: -10.592
Base-Backbone interact. energy: -0.061
local terms energy: -43.119616
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -9.962
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -4.937
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: 8
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -75.361656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.361656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.361656 (E_RNA)
where:
Base-Base interactions energy: -31.719
where: short stacking energy: -15.951
Base-Backbone interact. energy: -0.082
local terms energy: -43.561276
where:
bonds (distance) C4'-P energy: -8.523
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -9.662
flat angles P-C4'-P energy: -6.135
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: 1, replica: 9
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -155.417311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.417311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.417311 (E_RNA)
where:
Base-Base interactions energy: -103.134
where: short stacking energy: -48.496
Base-Backbone interact. energy: -0.080
local terms energy: -52.202663
where:
bonds (distance) C4'-P energy: -11.733
bonds (distance) P-C4' energy: -11.041
flat angles C4'-P-C4' energy: -12.091
flat angles P-C4'-P energy: -6.985
tors. eta vs tors. theta energy: -10.352
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: 5
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -157.445344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.445344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.445344 (E_RNA)
where:
Base-Base interactions energy: -102.098
where: short stacking energy: -45.384
Base-Backbone interact. energy: -0.001
local terms energy: -55.346091
where:
bonds (distance) C4'-P energy: -12.221
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -5.827
tors. eta vs tors. theta energy: -12.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -136.867214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.867214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.867214 (E_RNA)
where:
Base-Base interactions energy: -86.381
where: short stacking energy: -37.911
Base-Backbone interact. energy: -0.010
local terms energy: -50.477059
where:
bonds (distance) C4'-P energy: -11.435
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -9.934
flat angles P-C4'-P energy: -3.594
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: 4, replica: 4
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -145.354586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.354586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.354586 (E_RNA)
where:
Base-Base interactions energy: -88.442
where: short stacking energy: -31.269
Base-Backbone interact. energy: -0.102
local terms energy: -56.809792
where:
bonds (distance) C4'-P energy: -11.463
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -10.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -77.352560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.352560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.352560 (E_RNA)
where:
Base-Base interactions energy: -39.634
where: short stacking energy: -14.958
Base-Backbone interact. energy: 0.791
local terms energy: -38.509776
where:
bonds (distance) C4'-P energy: -12.172
bonds (distance) P-C4' energy: -11.123
flat angles C4'-P-C4' energy: -10.427
flat angles P-C4'-P energy: -5.015
tors. eta vs tors. theta energy: 0.226
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: 10
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -66.068622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.068622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.068622 (E_RNA)
where:
Base-Base interactions energy: -24.241
where: short stacking energy: -24.241
Base-Backbone interact. energy: -0.126
local terms energy: -41.700993
where:
bonds (distance) C4'-P energy: -8.844
bonds (distance) P-C4' energy: -8.470
flat angles C4'-P-C4' energy: -11.976
flat angles P-C4'-P energy: -6.944
tors. eta vs tors. theta energy: -5.467
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: 7, replica: 3
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -79.605551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.605551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.605551 (E_RNA)
where:
Base-Base interactions energy: -37.633
where: short stacking energy: -22.200
Base-Backbone interact. energy: -0.108
local terms energy: -41.864664
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -11.514
flat angles C4'-P-C4' energy: -7.320
flat angles P-C4'-P energy: -3.432
tors. eta vs tors. theta energy: -6.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -64.263370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.263370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.263370 (E_RNA)
where:
Base-Base interactions energy: -19.335
where: short stacking energy: -19.335
Base-Backbone interact. energy: -0.008
local terms energy: -44.920918
where:
bonds (distance) C4'-P energy: -10.407
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -7.578
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: -3.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -59.540106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.540106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.540106 (E_RNA)
where:
Base-Base interactions energy: -23.441
where: short stacking energy: -11.672
Base-Backbone interact. energy: -0.095
local terms energy: -36.004131
where:
bonds (distance) C4'-P energy: -10.601
bonds (distance) P-C4' energy: -13.153
flat angles C4'-P-C4' energy: -6.352
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: 1.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -63.517982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.517982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.517982 (E_RNA)
where:
Base-Base interactions energy: -28.187
where: short stacking energy: -15.209
Base-Backbone interact. energy: -0.106
local terms energy: -35.225336
where:
bonds (distance) C4'-P energy: -6.677
bonds (distance) P-C4' energy: -12.258
flat angles C4'-P-C4' energy: -9.153
flat angles P-C4'-P energy: -6.294
tors. eta vs tors. theta energy: -0.843
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: 1, replica: 5
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -152.095236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.095236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.095236 (E_RNA)
where:
Base-Base interactions energy: -92.282
where: short stacking energy: -41.162
Base-Backbone interact. energy: -0.002
local terms energy: -59.812015
where:
bonds (distance) C4'-P energy: -10.511
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -11.201
flat angles P-C4'-P energy: -12.550
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: 2, replica: 9
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -150.943932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.943932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.943932 (E_RNA)
where:
Base-Base interactions energy: -93.669
where: short stacking energy: -34.917
Base-Backbone interact. energy: -0.120
local terms energy: -57.154288
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -12.112
flat angles C4'-P-C4' energy: -11.814
flat angles P-C4'-P energy: -6.800
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: 3, replica: 4
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -143.473612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.473612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.473612 (E_RNA)
where:
Base-Base interactions energy: -93.156
where: short stacking energy: -36.391
Base-Backbone interact. energy: -0.014
local terms energy: -50.302787
where:
bonds (distance) C4'-P energy: -8.727
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -11.350
flat angles P-C4'-P energy: -7.157
tors. eta vs tors. theta energy: -10.516
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: 6
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -133.432853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.432853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.432853 (E_RNA)
where:
Base-Base interactions energy: -80.748
where: short stacking energy: -34.658
Base-Backbone interact. energy: -0.122
local terms energy: -52.563230
where:
bonds (distance) C4'-P energy: -10.333
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -11.149
flat angles P-C4'-P energy: -6.957
tors. eta vs tors. theta energy: -11.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -71.106782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.106782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.106782 (E_RNA)
where:
Base-Base interactions energy: -22.548
where: short stacking energy: -22.548
Base-Backbone interact. energy: -0.013
local terms energy: -48.545118
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -9.837
flat angles P-C4'-P energy: -6.264
tors. eta vs tors. theta energy: -7.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -66.762791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.762791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.762791 (E_RNA)
where:
Base-Base interactions energy: -25.132
where: short stacking energy: -24.521
Base-Backbone interact. energy: -0.425
local terms energy: -41.206374
where:
bonds (distance) C4'-P energy: -11.145
bonds (distance) P-C4' energy: -10.069
flat angles C4'-P-C4' energy: -8.209
flat angles P-C4'-P energy: -5.179
tors. eta vs tors. theta energy: -6.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -69.751763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.751763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.751763 (E_RNA)
where:
Base-Base interactions energy: -28.829
where: short stacking energy: -10.904
Base-Backbone interact. energy: 0.488
local terms energy: -41.411607
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -11.771
flat angles P-C4'-P energy: -8.644
tors. eta vs tors. theta energy: 3.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -67.288037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.288037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.288037 (E_RNA)
where:
Base-Base interactions energy: -23.937
where: short stacking energy: -19.084
Base-Backbone interact. energy: -0.337
local terms energy: -43.013900
where:
bonds (distance) C4'-P energy: -8.333
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -6.228
tors. eta vs tors. theta energy: -4.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -63.637527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.637527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.637527 (E_RNA)
where:
Base-Base interactions energy: -29.878
where: short stacking energy: -15.505
Base-Backbone interact. energy: 0.644
local terms energy: -34.403672
where:
bonds (distance) C4'-P energy: -8.186
bonds (distance) P-C4' energy: -10.193
flat angles C4'-P-C4' energy: -9.378
flat angles P-C4'-P energy: -5.861
tors. eta vs tors. theta energy: -0.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -64.909835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.909835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.909835 (E_RNA)
where:
Base-Base interactions energy: -23.491
where: short stacking energy: -23.491
Base-Backbone interact. energy: -0.001
local terms energy: -41.417098
where:
bonds (distance) C4'-P energy: -6.727
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -10.333
flat angles P-C4'-P energy: -6.904
tors. eta vs tors. theta energy: -5.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -160.364507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.364507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.364507 (E_RNA)
where:
Base-Base interactions energy: -109.844
where: short stacking energy: -46.332
Base-Backbone interact. energy: -0.011
local terms energy: -50.509498
where:
bonds (distance) C4'-P energy: -8.466
bonds (distance) P-C4' energy: -10.648
flat angles C4'-P-C4' energy: -11.502
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -11.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -137.419283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.419283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.419283 (E_RNA)
where:
Base-Base interactions energy: -87.217
where: short stacking energy: -38.822
Base-Backbone interact. energy: -0.020
local terms energy: -50.182423
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -10.757
flat angles P-C4'-P energy: -7.385
tors. eta vs tors. theta energy: -7.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -140.314112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.314112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.314112 (E_RNA)
where:
Base-Base interactions energy: -94.350
where: short stacking energy: -30.040
Base-Backbone interact. energy: -0.246
local terms energy: -45.718156
where:
bonds (distance) C4'-P energy: -11.749
bonds (distance) P-C4' energy: -4.956
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -7.797
tors. eta vs tors. theta energy: -8.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -133.844934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.844934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.844934 (E_RNA)
where:
Base-Base interactions energy: -84.989
where: short stacking energy: -29.810
Base-Backbone interact. energy: -0.632
local terms energy: -48.223586
where:
bonds (distance) C4'-P energy: -10.122
bonds (distance) P-C4' energy: -9.570
flat angles C4'-P-C4' energy: -8.597
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -10.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -71.097336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.097336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.097336 (E_RNA)
where:
Base-Base interactions energy: -24.157
where: short stacking energy: -21.145
Base-Backbone interact. energy: -0.451
local terms energy: -46.489251
where:
bonds (distance) C4'-P energy: -10.532
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -5.943
tors. eta vs tors. theta energy: -6.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -96.773057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.773057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.773057 (E_RNA)
where:
Base-Base interactions energy: -68.846
where: short stacking energy: -22.357
Base-Backbone interact. energy: -0.296
local terms energy: -27.631166
where:
bonds (distance) C4'-P energy: -7.634
bonds (distance) P-C4' energy: -2.205
flat angles C4'-P-C4' energy: -7.037
flat angles P-C4'-P energy: -8.027
tors. eta vs tors. theta energy: -2.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -76.973572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.973572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.973572 (E_RNA)
where:
Base-Base interactions energy: -27.725
where: short stacking energy: -27.725
Base-Backbone interact. energy: -0.002
local terms energy: -49.246135
where:
bonds (distance) C4'-P energy: -8.554
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -11.822
flat angles P-C4'-P energy: -7.980
tors. eta vs tors. theta energy: -7.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -61.461912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.461912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.461912 (E_RNA)
where:
Base-Base interactions energy: -20.271
where: short stacking energy: -15.969
Base-Backbone interact. energy: -0.075
local terms energy: -41.115829
where:
bonds (distance) C4'-P energy: -8.797
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -10.703
flat angles P-C4'-P energy: -6.797
tors. eta vs tors. theta energy: -2.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -59.091578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.091578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.091578 (E_RNA)
where:
Base-Base interactions energy: -20.316
where: short stacking energy: -17.531
Base-Backbone interact. energy: 0.173
local terms energy: -38.948804
where:
bonds (distance) C4'-P energy: -11.708
bonds (distance) P-C4' energy: -10.588
flat angles C4'-P-C4' energy: -7.655
flat angles P-C4'-P energy: -6.205
tors. eta vs tors. theta energy: -2.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -66.439756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.439756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.439756 (E_RNA)
where:
Base-Base interactions energy: -36.659
where: short stacking energy: -7.143
Base-Backbone interact. energy: -0.084
local terms energy: -29.696673
where:
bonds (distance) C4'-P energy: -9.418
bonds (distance) P-C4' energy: -10.880
flat angles C4'-P-C4' energy: -7.826
flat angles P-C4'-P energy: -1.355
tors. eta vs tors. theta energy: -0.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -160.494111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.494111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.494111 (E_RNA)
where:
Base-Base interactions energy: -102.791
where: short stacking energy: -42.684
Base-Backbone interact. energy: -0.376
local terms energy: -57.326900
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -10.900
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -13.111
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: 5
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -147.265158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.265158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.265158 (E_RNA)
where:
Base-Base interactions energy: -94.387
where: short stacking energy: -30.893
Base-Backbone interact. energy: -0.160
local terms energy: -52.718718
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -7.593
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: 3, replica: 4
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -149.122815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.122815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.122815 (E_RNA)
where:
Base-Base interactions energy: -93.970
where: short stacking energy: -39.110
Base-Backbone interact. energy: -0.146
local terms energy: -55.007190
where:
bonds (distance) C4'-P energy: -9.194
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -11.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -147.855012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.855012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.855012 (E_RNA)
where:
Base-Base interactions energy: -95.234
where: short stacking energy: -35.599
Base-Backbone interact. energy: -0.090
local terms energy: -52.530721
where:
bonds (distance) C4'-P energy: -7.965
bonds (distance) P-C4' energy: -10.768
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -7.379
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: 1
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -104.523589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.523589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.523589 (E_RNA)
where:
Base-Base interactions energy: -58.750
where: short stacking energy: -25.737
Base-Backbone interact. energy: -0.007
local terms energy: -45.766445
where:
bonds (distance) C4'-P energy: -7.638
bonds (distance) P-C4' energy: -11.479
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -5.396
tors. eta vs tors. theta energy: -8.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -69.802850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.802850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.802850 (E_RNA)
where:
Base-Base interactions energy: -30.449
where: short stacking energy: -20.089
Base-Backbone interact. energy: -0.190
local terms energy: -39.164010
where:
bonds (distance) C4'-P energy: -9.949
bonds (distance) P-C4' energy: -9.551
flat angles C4'-P-C4' energy: -10.733
flat angles P-C4'-P energy: -8.795
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: 7, replica: 8
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -71.429452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.429452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.429452 (E_RNA)
where:
Base-Base interactions energy: -31.038
where: short stacking energy: -14.472
Base-Backbone interact. energy: -0.031
local terms energy: -40.360211
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -9.298
flat angles P-C4'-P energy: -6.020
tors. eta vs tors. theta energy: -1.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -58.117480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.117480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.117480 (E_RNA)
where:
Base-Base interactions energy: -14.347
where: short stacking energy: -14.347
Base-Backbone interact. energy: -0.102
local terms energy: -43.668268
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -7.553
flat angles P-C4'-P energy: -6.797
tors. eta vs tors. theta energy: -5.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -58.023453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.023453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.023453 (E_RNA)
where:
Base-Base interactions energy: -18.969
where: short stacking energy: -13.910
Base-Backbone interact. energy: 0.845
local terms energy: -39.899515
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -2.277
tors. eta vs tors. theta energy: -3.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -57.609030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.609030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.609030 (E_RNA)
where:
Base-Base interactions energy: -18.200
where: short stacking energy: -10.963
Base-Backbone interact. energy: -0.377
local terms energy: -39.031660
where:
bonds (distance) C4'-P energy: -7.537
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -9.952
flat angles P-C4'-P energy: -7.699
tors. eta vs tors. theta energy: -0.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -151.202936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.202936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.202936 (E_RNA)
where:
Base-Base interactions energy: -107.233
where: short stacking energy: -43.418
Base-Backbone interact. energy: -0.103
local terms energy: -43.867127
where:
bonds (distance) C4'-P energy: -9.633
bonds (distance) P-C4' energy: -10.228
flat angles C4'-P-C4' energy: -9.096
flat angles P-C4'-P energy: -4.660
tors. eta vs tors. theta energy: -10.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -156.597360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.597360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.597360 (E_RNA)
where:
Base-Base interactions energy: -104.868
where: short stacking energy: -37.949
Base-Backbone interact. energy: -0.380
local terms energy: -51.350057
where:
bonds (distance) C4'-P energy: -10.946
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -9.768
flat angles P-C4'-P energy: -5.065
tors. eta vs tors. theta energy: -13.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -137.468996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.468996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.468996 (E_RNA)
where:
Base-Base interactions energy: -89.738
where: short stacking energy: -30.572
Base-Backbone interact. energy: -0.387
local terms energy: -47.343440
where:
bonds (distance) C4'-P energy: -11.832
bonds (distance) P-C4' energy: -11.897
flat angles C4'-P-C4' energy: -8.387
flat angles P-C4'-P energy: -5.828
tors. eta vs tors. theta energy: -9.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -147.322917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.322917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.322917 (E_RNA)
where:
Base-Base interactions energy: -97.057
where: short stacking energy: -37.263
Base-Backbone interact. energy: -0.125
local terms energy: -50.140551
where:
bonds (distance) C4'-P energy: -10.557
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -7.399
flat angles P-C4'-P energy: -6.881
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: 5, replica: 1
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -98.465402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.465402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.465402 (E_RNA)
where:
Base-Base interactions energy: -61.225
where: short stacking energy: -21.746
Base-Backbone interact. energy: 0.233
local terms energy: -37.472773
where:
bonds (distance) C4'-P energy: -6.963
bonds (distance) P-C4' energy: -11.685
flat angles C4'-P-C4' energy: -8.806
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -1.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -62.824242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.824242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.824242 (E_RNA)
where:
Base-Base interactions energy: -32.388
where: short stacking energy: -11.287
Base-Backbone interact. energy: -0.226
local terms energy: -30.210036
where:
bonds (distance) C4'-P energy: -2.831
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -5.291
tors. eta vs tors. theta energy: 3.149
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: 7, replica: 10
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -59.152969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.152969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.152969 (E_RNA)
where:
Base-Base interactions energy: -16.916
where: short stacking energy: -16.916
Base-Backbone interact. energy: -0.202
local terms energy: -42.035034
where:
bonds (distance) C4'-P energy: -12.329
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -7.016
flat angles P-C4'-P energy: -7.239
tors. eta vs tors. theta energy: -2.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -64.954289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.954289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.954289 (E_RNA)
where:
Base-Base interactions energy: -24.004
where: short stacking energy: -17.926
Base-Backbone interact. energy: -0.025
local terms energy: -40.924864
where:
bonds (distance) C4'-P energy: -11.227
bonds (distance) P-C4' energy: -9.997
flat angles C4'-P-C4' energy: -8.391
flat angles P-C4'-P energy: -5.994
tors. eta vs tors. theta energy: -5.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -57.190296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.190296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.190296 (E_RNA)
where:
Base-Base interactions energy: -17.969
where: short stacking energy: -17.180
Base-Backbone interact. energy: -0.101
local terms energy: -39.120109
where:
bonds (distance) C4'-P energy: -9.066
bonds (distance) P-C4' energy: -11.454
flat angles C4'-P-C4' energy: -9.533
flat angles P-C4'-P energy: -6.619
tors. eta vs tors. theta energy: -2.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -56.101092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.101092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.101092 (E_RNA)
where:
Base-Base interactions energy: -16.970
where: short stacking energy: -15.063
Base-Backbone interact. energy: -1.108
local terms energy: -38.022523
where:
bonds (distance) C4'-P energy: -11.174
bonds (distance) P-C4' energy: -10.922
flat angles C4'-P-C4' energy: -8.143
flat angles P-C4'-P energy: -7.471
tors. eta vs tors. theta energy: -0.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -157.027432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.027432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.027432 (E_RNA)
where:
Base-Base interactions energy: -106.757
where: short stacking energy: -40.810
Base-Backbone interact. energy: -0.020
local terms energy: -50.249623
where:
bonds (distance) C4'-P energy: -12.689
bonds (distance) P-C4' energy: -9.437
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -5.558
tors. eta vs tors. theta energy: -10.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -151.233383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.233383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.233383 (E_RNA)
where:
Base-Base interactions energy: -95.492
where: short stacking energy: -41.394
Base-Backbone interact. energy: -0.124
local terms energy: -55.617408
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -10.253
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -10.093
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: 5
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -140.729145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.729145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.729145 (E_RNA)
where:
Base-Base interactions energy: -92.174
where: short stacking energy: -43.129
Base-Backbone interact. energy: -0.003
local terms energy: -48.552492
where:
bonds (distance) C4'-P energy: -12.067
bonds (distance) P-C4' energy: -8.975
flat angles C4'-P-C4' energy: -8.241
flat angles P-C4'-P energy: -5.953
tors. eta vs tors. theta energy: -13.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -139.830355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.830355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.830355 (E_RNA)
where:
Base-Base interactions energy: -87.883
where: short stacking energy: -42.316
Base-Backbone interact. energy: -0.001
local terms energy: -51.945922
where:
bonds (distance) C4'-P energy: -10.359
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -9.765
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -11.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -77.373186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.373186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.373186 (E_RNA)
where:
Base-Base interactions energy: -35.353
where: short stacking energy: -20.120
Base-Backbone interact. energy: -0.109
local terms energy: -41.910610
where:
bonds (distance) C4'-P energy: -12.233
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -9.509
flat angles P-C4'-P energy: -4.848
tors. eta vs tors. theta energy: -2.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -106.682250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.682250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.682250 (E_RNA)
where:
Base-Base interactions energy: -67.770
where: short stacking energy: -28.702
Base-Backbone interact. energy: -0.067
local terms energy: -38.845009
where:
bonds (distance) C4'-P energy: -7.105
bonds (distance) P-C4' energy: -10.874
flat angles C4'-P-C4' energy: -8.852
flat angles P-C4'-P energy: -6.482
tors. eta vs tors. theta energy: -5.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -66.937773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.937773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.937773 (E_RNA)
where:
Base-Base interactions energy: -22.255
where: short stacking energy: -22.255
Base-Backbone interact. energy: -0.080
local terms energy: -44.602628
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -12.172
flat angles C4'-P-C4' energy: -11.178
flat angles P-C4'-P energy: -2.930
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: 2
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -76.988725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.988725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.988725 (E_RNA)
where:
Base-Base interactions energy: -38.305
where: short stacking energy: -15.549
Base-Backbone interact. energy: -0.006
local terms energy: -38.678496
where:
bonds (distance) C4'-P energy: -10.069
bonds (distance) P-C4' energy: -10.391
flat angles C4'-P-C4' energy: -11.222
flat angles P-C4'-P energy: -3.546
tors. eta vs tors. theta energy: -3.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -66.332188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.332188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.332188 (E_RNA)
where:
Base-Base interactions energy: -37.227
where: short stacking energy: -21.385
Base-Backbone interact. energy: 0.247
local terms energy: -29.352864
where:
bonds (distance) C4'-P energy: -7.547
bonds (distance) P-C4' energy: -1.685
flat angles C4'-P-C4' energy: -6.914
flat angles P-C4'-P energy: -6.302
tors. eta vs tors. theta energy: -6.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -52.935244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.935244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.935244 (E_RNA)
where:
Base-Base interactions energy: -21.430
where: short stacking energy: -21.430
Base-Backbone interact. energy: -0.037
local terms energy: -31.468749
where:
bonds (distance) C4'-P energy: -7.492
bonds (distance) P-C4' energy: -12.229
flat angles C4'-P-C4' energy: -1.328
flat angles P-C4'-P energy: -7.023
tors. eta vs tors. theta energy: -3.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -155.152081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.152081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.152081 (E_RNA)
where:
Base-Base interactions energy: -100.774
where: short stacking energy: -35.869
Base-Backbone interact. energy: -0.005
local terms energy: -54.373015
where:
bonds (distance) C4'-P energy: -12.271
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -9.252
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -11.318
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: 5
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -140.765956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.765956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.765956 (E_RNA)
where:
Base-Base interactions energy: -86.344
where: short stacking energy: -36.523
Base-Backbone interact. energy: -0.096
local terms energy: -54.326096
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -6.028
tors. eta vs tors. theta energy: -11.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -142.479505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.479505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.479505 (E_RNA)
where:
Base-Base interactions energy: -90.619
where: short stacking energy: -31.193
Base-Backbone interact. energy: -0.922
local terms energy: -50.937898
where:
bonds (distance) C4'-P energy: -8.024
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -10.311
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -11.042
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: 6
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -139.250648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.250648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.250648 (E_RNA)
where:
Base-Base interactions energy: -92.985
where: short stacking energy: -35.308
Base-Backbone interact. energy: -0.076
local terms energy: -46.189744
where:
bonds (distance) C4'-P energy: -6.269
bonds (distance) P-C4' energy: -9.970
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -7.462
tors. eta vs tors. theta energy: -9.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -85.767020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.767020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.767020 (E_RNA)
where:
Base-Base interactions energy: -35.310
where: short stacking energy: -25.134
Base-Backbone interact. energy: -0.010
local terms energy: -50.446367
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -11.884
flat angles P-C4'-P energy: -5.144
tors. eta vs tors. theta energy: -8.039
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: 10
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -74.986771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.986771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.986771 (E_RNA)
where:
Base-Base interactions energy: -37.291
where: short stacking energy: -25.351
Base-Backbone interact. energy: -0.151
local terms energy: -37.544790
where:
bonds (distance) C4'-P energy: -10.297
bonds (distance) P-C4' energy: -11.628
flat angles C4'-P-C4' energy: -8.313
flat angles P-C4'-P energy: -0.870
tors. eta vs tors. theta energy: -6.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -67.159622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.159622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.159622 (E_RNA)
where:
Base-Base interactions energy: -26.458
where: short stacking energy: -19.021
Base-Backbone interact. energy: -0.215
local terms energy: -40.486524
where:
bonds (distance) C4'-P energy: -9.725
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -8.386
flat angles P-C4'-P energy: -6.128
tors. eta vs tors. theta energy: -3.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -59.379785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.379785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.379785 (E_RNA)
where:
Base-Base interactions energy: -20.654
where: short stacking energy: -15.370
Base-Backbone interact. energy: -0.002
local terms energy: -38.723971
where:
bonds (distance) C4'-P energy: -10.237
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -11.536
flat angles P-C4'-P energy: -2.450
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: 9, replica: 3
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -82.508050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.508050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.508050 (E_RNA)
where:
Base-Base interactions energy: -45.792
where: short stacking energy: -23.933
Base-Backbone interact. energy: -0.166
local terms energy: -36.550234
where:
bonds (distance) C4'-P energy: -9.307
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -11.540
flat angles P-C4'-P energy: 0.324
tors. eta vs tors. theta energy: -2.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -53.356032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.356032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.356032 (E_RNA)
where:
Base-Base interactions energy: -18.258
where: short stacking energy: -16.437
Base-Backbone interact. energy: -0.333
local terms energy: -34.765113
where:
bonds (distance) C4'-P energy: -10.705
bonds (distance) P-C4' energy: -10.117
flat angles C4'-P-C4' energy: -2.386
flat angles P-C4'-P energy: -5.732
tors. eta vs tors. theta energy: -5.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -143.930562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.930562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.930562 (E_RNA)
where:
Base-Base interactions energy: -90.545
where: short stacking energy: -44.701
Base-Backbone interact. energy: -0.002
local terms energy: -53.382736
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -11.476
flat angles C4'-P-C4' energy: -8.380
flat angles P-C4'-P energy: -8.200
tors. eta vs tors. theta energy: -11.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -159.399187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.399187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.399187 (E_RNA)
where:
Base-Base interactions energy: -102.791
where: short stacking energy: -42.598
Base-Backbone interact. energy: -0.298
local terms energy: -56.310020
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -11.191
flat angles C4'-P-C4' energy: -11.842
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -13.850
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: 6
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -135.281998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.281998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.281998 (E_RNA)
where:
Base-Base interactions energy: -86.092
where: short stacking energy: -30.560
Base-Backbone interact. energy: -0.093
local terms energy: -49.097558
where:
bonds (distance) C4'-P energy: -9.955
bonds (distance) P-C4' energy: -11.654
flat angles C4'-P-C4' energy: -11.186
flat angles P-C4'-P energy: -4.015
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: 4, replica: 9
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -143.827064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.827064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.827064 (E_RNA)
where:
Base-Base interactions energy: -98.608
where: short stacking energy: -36.453
Base-Backbone interact. energy: -0.655
local terms energy: -44.564010
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -8.605
flat angles P-C4'-P energy: -7.572
tors. eta vs tors. theta energy: -5.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -70.571290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.571290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.571290 (E_RNA)
where:
Base-Base interactions energy: -23.606
where: short stacking energy: -23.606
Base-Backbone interact. energy: -0.015
local terms energy: -46.950208
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -9.955
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -7.201
tors. eta vs tors. theta energy: -5.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -90.304648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.304648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.304648 (E_RNA)
where:
Base-Base interactions energy: -53.295
where: short stacking energy: -12.233
Base-Backbone interact. energy: 2.787
local terms energy: -39.797366
where:
bonds (distance) C4'-P energy: -10.677
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -10.064
flat angles P-C4'-P energy: -8.286
tors. eta vs tors. theta energy: 1.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -70.260973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.260973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.260973 (E_RNA)
where:
Base-Base interactions energy: -32.718
where: short stacking energy: -25.550
Base-Backbone interact. energy: -0.010
local terms energy: -37.533260
where:
bonds (distance) C4'-P energy: -9.741
bonds (distance) P-C4' energy: -10.404
flat angles C4'-P-C4' energy: -5.655
flat angles P-C4'-P energy: -5.013
tors. eta vs tors. theta energy: -6.720
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: 8, replica: 1
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -61.705446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.705446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.705446 (E_RNA)
where:
Base-Base interactions energy: -34.396
where: short stacking energy: -9.017
Base-Backbone interact. energy: -0.013
local terms energy: -27.295848
where:
bonds (distance) C4'-P energy: -9.745
bonds (distance) P-C4' energy: -10.697
flat angles C4'-P-C4' energy: -5.240
flat angles P-C4'-P energy: -3.800
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: 9, replica: 7
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -67.160026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.160026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.160026 (E_RNA)
where:
Base-Base interactions energy: -30.027
where: short stacking energy: -12.383
Base-Backbone interact. energy: -0.085
local terms energy: -37.048503
where:
bonds (distance) C4'-P energy: -10.065
bonds (distance) P-C4' energy: -7.946
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -5.352
tors. eta vs tors. theta energy: -1.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -55.065283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.065283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.065283 (E_RNA)
where:
Base-Base interactions energy: -16.563
where: short stacking energy: -16.050
Base-Backbone interact. energy: -0.093
local terms energy: -38.409461
where:
bonds (distance) C4'-P energy: -8.474
bonds (distance) P-C4' energy: -11.458
flat angles C4'-P-C4' energy: -6.639
flat angles P-C4'-P energy: -7.110
tors. eta vs tors. theta energy: -4.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -144.120000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.120000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.120000 (E_RNA)
where:
Base-Base interactions energy: -88.862
where: short stacking energy: -35.879
Base-Backbone interact. energy: -0.001
local terms energy: -55.257158
where:
bonds (distance) C4'-P energy: -11.431
bonds (distance) P-C4' energy: -12.331
flat angles C4'-P-C4' energy: -12.500
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -10.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -143.306448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.306448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.306448 (E_RNA)
where:
Base-Base interactions energy: -95.213
where: short stacking energy: -32.408
Base-Backbone interact. energy: -0.013
local terms energy: -48.080838
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -10.682
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -3.766
tors. eta vs tors. theta energy: -8.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -149.893220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.893220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.893220 (E_RNA)
where:
Base-Base interactions energy: -99.393
where: short stacking energy: -41.660
Base-Backbone interact. energy: -0.077
local terms energy: -50.423123
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -12.969
flat angles C4'-P-C4' energy: -7.378
flat angles P-C4'-P energy: -5.084
tors. eta vs tors. theta energy: -14.449
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: 9
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -139.261025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.261025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.261025 (E_RNA)
where:
Base-Base interactions energy: -87.768
where: short stacking energy: -43.403
Base-Backbone interact. energy: -1.184
local terms energy: -50.309088
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -12.133
flat angles C4'-P-C4' energy: -8.169
flat angles P-C4'-P energy: -8.103
tors. eta vs tors. theta energy: -8.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -72.120634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.120634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.120634 (E_RNA)
where:
Base-Base interactions energy: -30.368
where: short stacking energy: -26.735
Base-Backbone interact. energy: -0.186
local terms energy: -41.566948
where:
bonds (distance) C4'-P energy: -12.056
bonds (distance) P-C4' energy: -10.821
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -3.726
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: 6, replica: 2
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -67.518480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.518480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.518480 (E_RNA)
where:
Base-Base interactions energy: -27.778
where: short stacking energy: -16.838
Base-Backbone interact. energy: -0.106
local terms energy: -39.634503
where:
bonds (distance) C4'-P energy: -10.777
bonds (distance) P-C4' energy: -7.454
flat angles C4'-P-C4' energy: -9.586
flat angles P-C4'-P energy: -5.677
tors. eta vs tors. theta energy: -6.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -81.736501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.736501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.736501 (E_RNA)
where:
Base-Base interactions energy: -38.092
where: short stacking energy: -12.233
Base-Backbone interact. energy: -0.447
local terms energy: -43.197741
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -13.119
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: 3.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -56.814633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.814633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.814633 (E_RNA)
where:
Base-Base interactions energy: -23.094
where: short stacking energy: -11.680
Base-Backbone interact. energy: -0.192
local terms energy: -33.528536
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -9.491
flat angles C4'-P-C4' energy: -9.139
flat angles P-C4'-P energy: -6.688
tors. eta vs tors. theta energy: 4.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -52.550906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.550906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.550906 (E_RNA)
where:
Base-Base interactions energy: -20.164
where: short stacking energy: -13.831
Base-Backbone interact. energy: -0.270
local terms energy: -32.117071
where:
bonds (distance) C4'-P energy: -11.774
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -4.947
flat angles P-C4'-P energy: -6.123
tors. eta vs tors. theta energy: 2.727
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: 3
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -60.200519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.200519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.200519 (E_RNA)
where:
Base-Base interactions energy: -32.157
where: short stacking energy: -17.847
Base-Backbone interact. energy: -0.020
local terms energy: -28.023117
where:
bonds (distance) C4'-P energy: -9.605
bonds (distance) P-C4' energy: -8.158
flat angles C4'-P-C4' energy: -6.017
flat angles P-C4'-P energy: 0.109
tors. eta vs tors. theta energy: -4.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -145.203337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.203337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.203337 (E_RNA)
where:
Base-Base interactions energy: -91.752
where: short stacking energy: -36.123
Base-Backbone interact. energy: -0.132
local terms energy: -53.318651
where:
bonds (distance) C4'-P energy: -10.715
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -5.447
tors. eta vs tors. theta energy: -9.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -147.979176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.979176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.979176 (E_RNA)
where:
Base-Base interactions energy: -93.062
where: short stacking energy: -39.067
Base-Backbone interact. energy: -0.041
local terms energy: -54.877040
where:
bonds (distance) C4'-P energy: -11.799
bonds (distance) P-C4' energy: -12.258
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -6.475
tors. eta vs tors. theta energy: -11.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -148.313717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.313717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.313717 (E_RNA)
where:
Base-Base interactions energy: -101.757
where: short stacking energy: -37.804
Base-Backbone interact. energy: -0.024
local terms energy: -46.532903
where:
bonds (distance) C4'-P energy: -7.178
bonds (distance) P-C4' energy: -10.454
flat angles C4'-P-C4' energy: -8.037
flat angles P-C4'-P energy: -7.425
tors. eta vs tors. theta energy: -13.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -142.403462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.403462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.403462 (E_RNA)
where:
Base-Base interactions energy: -81.641
where: short stacking energy: -37.890
Base-Backbone interact. energy: -0.003
local terms energy: -60.759160
where:
bonds (distance) C4'-P energy: -13.894
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -11.497
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -12.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -77.310494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.310494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.310494 (E_RNA)
where:
Base-Base interactions energy: -40.231
where: short stacking energy: -16.570
Base-Backbone interact. energy: -0.019
local terms energy: -37.060869
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -9.499
flat angles P-C4'-P energy: -2.688
tors. eta vs tors. theta energy: -1.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -72.363977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.363977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.363977 (E_RNA)
where:
Base-Base interactions energy: -23.748
where: short stacking energy: -23.375
Base-Backbone interact. energy: -1.053
local terms energy: -47.562582
where:
bonds (distance) C4'-P energy: -10.493
bonds (distance) P-C4' energy: -11.610
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -2.274
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: 306
Temperature: 1.200000
Total energy: -112.936328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.936328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.936328 (E_RNA)
where:
Base-Base interactions energy: -82.248
where: short stacking energy: -15.217
Base-Backbone interact. energy: -0.268
local terms energy: -30.419925
where:
bonds (distance) C4'-P energy: -12.697
bonds (distance) P-C4' energy: -2.425
flat angles C4'-P-C4' energy: -8.900
flat angles P-C4'-P energy: -4.273
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: 8, replica: 8
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -69.804751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.804751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.804751 (E_RNA)
where:
Base-Base interactions energy: -28.895
where: short stacking energy: -17.117
Base-Backbone interact. energy: -0.064
local terms energy: -40.846196
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -6.776
flat angles C4'-P-C4' energy: -12.551
flat angles P-C4'-P energy: -5.641
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: 3
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -55.371167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.371167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.371167 (E_RNA)
where:
Base-Base interactions energy: -23.202
where: short stacking energy: -8.846
Base-Backbone interact. energy: 1.583
local terms energy: -33.752227
where:
bonds (distance) C4'-P energy: -7.783
bonds (distance) P-C4' energy: -11.225
flat angles C4'-P-C4' energy: -12.415
flat angles P-C4'-P energy: -9.111
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: 306
Temperature: 1.350000
Total energy: -71.647607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.647607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.647607 (E_RNA)
where:
Base-Base interactions energy: -40.274
where: short stacking energy: -15.934
Base-Backbone interact. energy: -0.216
local terms energy: -31.157726
where:
bonds (distance) C4'-P energy: -8.095
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -7.939
flat angles P-C4'-P energy: -1.941
tors. eta vs tors. theta energy: -0.316
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: 6
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -160.791872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.791872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.791872 (E_RNA)
where:
Base-Base interactions energy: -103.891
where: short stacking energy: -46.131
Base-Backbone interact. energy: -0.087
local terms energy: -56.814042
where:
bonds (distance) C4'-P energy: -12.382
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -10.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -142.450172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.450172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.450172 (E_RNA)
where:
Base-Base interactions energy: -94.038
where: short stacking energy: -41.121
Base-Backbone interact. energy: -0.130
local terms energy: -48.282766
where:
bonds (distance) C4'-P energy: -9.568
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -11.272
flat angles P-C4'-P energy: -4.237
tors. eta vs tors. theta energy: -9.938
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: 9
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -144.023364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.023364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.023364 (E_RNA)
where:
Base-Base interactions energy: -95.498
where: short stacking energy: -33.592
Base-Backbone interact. energy: -0.008
local terms energy: -48.517036
where:
bonds (distance) C4'-P energy: -8.388
bonds (distance) P-C4' energy: -10.535
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -9.962
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: 4
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -142.732469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.732469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.732469 (E_RNA)
where:
Base-Base interactions energy: -94.536
where: short stacking energy: -41.491
Base-Backbone interact. energy: -0.036
local terms energy: -48.159894
where:
bonds (distance) C4'-P energy: -11.815
bonds (distance) P-C4' energy: -9.870
flat angles C4'-P-C4' energy: -9.349
flat angles P-C4'-P energy: -6.899
tors. eta vs tors. theta energy: -10.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -72.151195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.151195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.151195 (E_RNA)
where:
Base-Base interactions energy: -30.971
where: short stacking energy: -30.391
Base-Backbone interact. energy: -0.015
local terms energy: -41.165837
where:
bonds (distance) C4'-P energy: -7.801
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -9.502
flat angles P-C4'-P energy: -3.908
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: 6, replica: 7
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -104.297178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.297178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.297178 (E_RNA)
where:
Base-Base interactions energy: -70.559
where: short stacking energy: -22.326
Base-Backbone interact. energy: -0.130
local terms energy: -33.607795
where:
bonds (distance) C4'-P energy: -9.246
bonds (distance) P-C4' energy: -5.213
flat angles C4'-P-C4' energy: -10.197
flat angles P-C4'-P energy: -3.923
tors. eta vs tors. theta energy: -5.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -60.851175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.851175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.851175 (E_RNA)
where:
Base-Base interactions energy: -19.145
where: short stacking energy: -17.357
Base-Backbone interact. energy: -0.926
local terms energy: -40.780543
where:
bonds (distance) C4'-P energy: -6.748
bonds (distance) P-C4' energy: -11.860
flat angles C4'-P-C4' energy: -11.907
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: 0.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -66.411015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.411015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.411015 (E_RNA)
where:
Base-Base interactions energy: -29.209
where: short stacking energy: -11.372
Base-Backbone interact. energy: -0.232
local terms energy: -36.969692
where:
bonds (distance) C4'-P energy: -12.619
bonds (distance) P-C4' energy: -10.098
flat angles C4'-P-C4' energy: -10.188
flat angles P-C4'-P energy: -5.806
tors. eta vs tors. theta energy: 1.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -55.812254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.812254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.812254 (E_RNA)
where:
Base-Base interactions energy: -20.322
where: short stacking energy: -18.531
Base-Backbone interact. energy: -0.099
local terms energy: -35.390967
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -8.302
flat angles C4'-P-C4' energy: -9.755
flat angles P-C4'-P energy: -5.518
tors. eta vs tors. theta energy: 0.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -50.275928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.275928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.275928 (E_RNA)
where:
Base-Base interactions energy: -11.232
where: short stacking energy: -7.888
Base-Backbone interact. energy: -1.708
local terms energy: -37.336108
where:
bonds (distance) C4'-P energy: -8.608
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -7.135
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: 0.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -146.063766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.063766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.063766 (E_RNA)
where:
Base-Base interactions energy: -96.424
where: short stacking energy: -37.459
Base-Backbone interact. energy: 0.137
local terms energy: -49.776225
where:
bonds (distance) C4'-P energy: -8.566
bonds (distance) P-C4' energy: -10.086
flat angles C4'-P-C4' energy: -12.156
flat angles P-C4'-P energy: -8.941
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: 2, replica: 6
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -147.155623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.155623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.155623 (E_RNA)
where:
Base-Base interactions energy: -94.348
where: short stacking energy: -40.512
Base-Backbone interact. energy: -0.010
local terms energy: -52.798349
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -11.689
flat angles P-C4'-P energy: -4.387
tors. eta vs tors. theta energy: -14.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -143.637789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.637789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.637789 (E_RNA)
where:
Base-Base interactions energy: -96.024
where: short stacking energy: -26.198
Base-Backbone interact. energy: -0.026
local terms energy: -47.587305
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -11.689
flat angles C4'-P-C4' energy: -8.038
flat angles P-C4'-P energy: -6.369
tors. eta vs tors. theta energy: -8.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -127.029690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.029690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.029690 (E_RNA)
where:
Base-Base interactions energy: -79.254
where: short stacking energy: -34.039
Base-Backbone interact. energy: -0.027
local terms energy: -47.748842
where:
bonds (distance) C4'-P energy: -9.169
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -11.387
flat angles P-C4'-P energy: -7.229
tors. eta vs tors. theta energy: -7.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -84.284456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.284456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.284456 (E_RNA)
where:
Base-Base interactions energy: -38.644
where: short stacking energy: -23.771
Base-Backbone interact. energy: -0.009
local terms energy: -45.632257
where:
bonds (distance) C4'-P energy: -11.054
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -4.942
flat angles P-C4'-P energy: -8.539
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: 6, replica: 7
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -92.887657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.887657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.887657 (E_RNA)
where:
Base-Base interactions energy: -56.687
where: short stacking energy: -18.396
Base-Backbone interact. energy: -0.044
local terms energy: -36.156252
where:
bonds (distance) C4'-P energy: -6.942
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -3.803
flat angles P-C4'-P energy: -5.550
tors. eta vs tors. theta energy: -6.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -64.593676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.593676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.593676 (E_RNA)
where:
Base-Base interactions energy: -21.647
where: short stacking energy: -14.652
Base-Backbone interact. energy: -0.012
local terms energy: -42.933885
where:
bonds (distance) C4'-P energy: -11.903
bonds (distance) P-C4' energy: -9.948
flat angles C4'-P-C4' energy: -10.807
flat angles P-C4'-P energy: -1.643
tors. eta vs tors. theta energy: -8.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -81.799271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.799271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.799271 (E_RNA)
where:
Base-Base interactions energy: -47.122
where: short stacking energy: -10.921
Base-Backbone interact. energy: -0.012
local terms energy: -34.665127
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -10.207
flat angles C4'-P-C4' energy: -7.381
flat angles P-C4'-P energy: -5.316
tors. eta vs tors. theta energy: 0.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -78.119630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.119630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.119630 (E_RNA)
where:
Base-Base interactions energy: -39.626
where: short stacking energy: -16.756
Base-Backbone interact. energy: -0.329
local terms energy: -38.164432
where:
bonds (distance) C4'-P energy: -9.502
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -7.035
flat angles P-C4'-P energy: -7.270
tors. eta vs tors. theta energy: -1.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -55.737314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.737314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.737314 (E_RNA)
where:
Base-Base interactions energy: -22.399
where: short stacking energy: -9.504
Base-Backbone interact. energy: 0.468
local terms energy: -33.806573
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -14.932
flat angles C4'-P-C4' energy: -8.894
flat angles P-C4'-P energy: -2.190
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: 5
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -150.234900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.234900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.234900 (E_RNA)
where:
Base-Base interactions energy: -94.256
where: short stacking energy: -36.368
Base-Backbone interact. energy: -0.121
local terms energy: -55.858094
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -11.007
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -11.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -155.314601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.314601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.314601 (E_RNA)
where:
Base-Base interactions energy: -109.633
where: short stacking energy: -37.794
Base-Backbone interact. energy: -0.003
local terms energy: -45.679135
where:
bonds (distance) C4'-P energy: -10.537
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -9.890
flat angles P-C4'-P energy: -5.337
tors. eta vs tors. theta energy: -5.943
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: 9
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -134.733752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.733752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.733752 (E_RNA)
where:
Base-Base interactions energy: -88.577
where: short stacking energy: -39.225
Base-Backbone interact. energy: 0.494
local terms energy: -46.651333
where:
bonds (distance) C4'-P energy: -12.528
bonds (distance) P-C4' energy: -10.387
flat angles C4'-P-C4' energy: -11.304
flat angles P-C4'-P energy: -0.757
tors. eta vs tors. theta energy: -11.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -140.644340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.644340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.644340 (E_RNA)
where:
Base-Base interactions energy: -86.991
where: short stacking energy: -41.189
Base-Backbone interact. energy: -0.095
local terms energy: -53.558167
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -9.586
flat angles P-C4'-P energy: -5.366
tors. eta vs tors. theta energy: -11.375
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: 2
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -96.448367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.448367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.448367 (E_RNA)
where:
Base-Base interactions energy: -56.675
where: short stacking energy: -21.088
Base-Backbone interact. energy: -0.104
local terms energy: -39.669021
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -9.727
flat angles C4'-P-C4' energy: -8.886
flat angles P-C4'-P energy: -6.789
tors. eta vs tors. theta energy: -1.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -105.155938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.155938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.155938 (E_RNA)
where:
Base-Base interactions energy: -68.757
where: short stacking energy: -28.136
Base-Backbone interact. energy: -0.027
local terms energy: -36.372062
where:
bonds (distance) C4'-P energy: -10.727
bonds (distance) P-C4' energy: -8.611
flat angles C4'-P-C4' energy: -9.489
flat angles P-C4'-P energy: -0.139
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: 7, replica: 10
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -66.475281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.475281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.475281 (E_RNA)
where:
Base-Base interactions energy: -23.688
where: short stacking energy: -23.688
Base-Backbone interact. energy: 0.973
local terms energy: -43.759743
where:
bonds (distance) C4'-P energy: -9.419
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -8.609
flat angles P-C4'-P energy: -4.422
tors. eta vs tors. theta energy: -9.609
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: 1
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -58.103927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.103927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.103927 (E_RNA)
where:
Base-Base interactions energy: -31.514
where: short stacking energy: -7.579
Base-Backbone interact. energy: -0.699
local terms energy: -25.891230
where:
bonds (distance) C4'-P energy: -10.510
bonds (distance) P-C4' energy: -5.899
flat angles C4'-P-C4' energy: -9.230
flat angles P-C4'-P energy: -6.630
tors. eta vs tors. theta energy: 6.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -58.629571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.629571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.629571 (E_RNA)
where:
Base-Base interactions energy: -18.505
where: short stacking energy: -13.285
Base-Backbone interact. energy: -0.252
local terms energy: -39.873168
where:
bonds (distance) C4'-P energy: -11.409
bonds (distance) P-C4' energy: -11.191
flat angles C4'-P-C4' energy: -9.560
flat angles P-C4'-P energy: -6.821
tors. eta vs tors. theta energy: -0.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -57.864597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.864597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.864597 (E_RNA)
where:
Base-Base interactions energy: -18.508
where: short stacking energy: -8.393
Base-Backbone interact. energy: -0.119
local terms energy: -39.237564
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -10.859
flat angles C4'-P-C4' energy: -11.632
flat angles P-C4'-P energy: -4.919
tors. eta vs tors. theta energy: 0.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -148.230246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.230246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.230246 (E_RNA)
where:
Base-Base interactions energy: -100.844
where: short stacking energy: -23.503
Base-Backbone interact. energy: -0.031
local terms energy: -47.354985
where:
bonds (distance) C4'-P energy: -10.263
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -12.215
flat angles P-C4'-P energy: -6.805
tors. eta vs tors. theta energy: -4.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -141.084482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.084482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.084482 (E_RNA)
where:
Base-Base interactions energy: -88.344
where: short stacking energy: -37.108
Base-Backbone interact. energy: 0.459
local terms energy: -53.199874
where:
bonds (distance) C4'-P energy: -9.294
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -10.371
flat angles P-C4'-P energy: -7.596
tors. eta vs tors. theta energy: -12.378
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: 310
Temperature: 1.000000
Total energy: -138.528397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.528397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.528397 (E_RNA)
where:
Base-Base interactions energy: -89.540
where: short stacking energy: -43.093
Base-Backbone interact. energy: 0.492
local terms energy: -49.480273
where:
bonds (distance) C4'-P energy: -8.793
bonds (distance) P-C4' energy: -10.599
flat angles C4'-P-C4' energy: -10.970
flat angles P-C4'-P energy: -6.681
tors. eta vs tors. theta energy: -12.437
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: 4, replica: 9
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -131.949872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.949872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.949872 (E_RNA)
where:
Base-Base interactions energy: -82.861
where: short stacking energy: -40.884
Base-Backbone interact. energy: -0.474
local terms energy: -48.615415
where:
bonds (distance) C4'-P energy: -9.724
bonds (distance) P-C4' energy: -10.890
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -5.894
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: 5, replica: 7
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -81.704172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.704172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.704172 (E_RNA)
where:
Base-Base interactions energy: -31.361
where: short stacking energy: -31.361
Base-Backbone interact. energy: -0.028
local terms energy: -50.315211
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -9.294
flat angles C4'-P-C4' energy: -11.069
flat angles P-C4'-P energy: -9.595
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: 6, replica: 2
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -70.121798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.121798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.121798 (E_RNA)
where:
Base-Base interactions energy: -25.952
where: short stacking energy: -17.432
Base-Backbone interact. energy: -0.266
local terms energy: -43.904178
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -11.381
flat angles C4'-P-C4' energy: -11.817
flat angles P-C4'-P energy: -6.723
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: 7, replica: 1
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -59.962068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.962068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.962068 (E_RNA)
where:
Base-Base interactions energy: -27.170
where: short stacking energy: -12.361
Base-Backbone interact. energy: -0.305
local terms energy: -32.487284
where:
bonds (distance) C4'-P energy: -9.713
bonds (distance) P-C4' energy: -5.646
flat angles C4'-P-C4' energy: -10.379
flat angles P-C4'-P energy: -5.833
tors. eta vs tors. theta energy: -0.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -59.377496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.377496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.377496 (E_RNA)
where:
Base-Base interactions energy: -22.660
where: short stacking energy: -18.267
Base-Backbone interact. energy: -0.153
local terms energy: -36.564588
where:
bonds (distance) C4'-P energy: -8.265
bonds (distance) P-C4' energy: -9.122
flat angles C4'-P-C4' energy: -10.299
flat angles P-C4'-P energy: -5.803
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: 9, replica: 8
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -57.598542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.598542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.598542 (E_RNA)
where:
Base-Base interactions energy: -15.145
where: short stacking energy: -4.502
Base-Backbone interact. energy: -1.228
local terms energy: -41.225311
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -9.811
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: 1.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -62.101343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.101343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.101343 (E_RNA)
where:
Base-Base interactions energy: -28.552
where: short stacking energy: -23.535
Base-Backbone interact. energy: -0.231
local terms energy: -33.318552
where:
bonds (distance) C4'-P energy: -8.850
bonds (distance) P-C4' energy: -9.387
flat angles C4'-P-C4' energy: -9.508
flat angles P-C4'-P energy: -5.134
tors. eta vs tors. theta energy: -0.440
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: 6
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -150.804220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.804220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.804220 (E_RNA)
where:
Base-Base interactions energy: -102.923
where: short stacking energy: -38.537
Base-Backbone interact. energy: -0.062
local terms energy: -47.818465
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -10.411
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -4.393
tors. eta vs tors. theta energy: -8.446
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: 2, replica: 4
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -149.398598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.398598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.398598 (E_RNA)
where:
Base-Base interactions energy: -94.840
where: short stacking energy: -41.104
Base-Backbone interact. energy: -0.092
local terms energy: -54.466884
where:
bonds (distance) C4'-P energy: -10.983
bonds (distance) P-C4' energy: -11.508
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -5.572
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: 3, replica: 5
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -134.478685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.478685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.478685 (E_RNA)
where:
Base-Base interactions energy: -79.623
where: short stacking energy: -34.562
Base-Backbone interact. energy: -0.178
local terms energy: -54.677829
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -11.966
flat angles C4'-P-C4' energy: -8.689
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -12.194
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: 9
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -130.403949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.403949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.403949 (E_RNA)
where:
Base-Base interactions energy: -83.590
where: short stacking energy: -35.011
Base-Backbone interact. energy: -0.010
local terms energy: -46.803862
where:
bonds (distance) C4'-P energy: -8.256
bonds (distance) P-C4' energy: -10.461
flat angles C4'-P-C4' energy: -11.599
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -6.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -81.570802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.570802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.570802 (E_RNA)
where:
Base-Base interactions energy: -27.420
where: short stacking energy: -27.420
Base-Backbone interact. energy: -0.012
local terms energy: -54.138692
where:
bonds (distance) C4'-P energy: -10.016
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: -8.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -77.387619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.387619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.387619 (E_RNA)
where:
Base-Base interactions energy: -32.831
where: short stacking energy: -17.722
Base-Backbone interact. energy: -0.260
local terms energy: -44.297287
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -11.127
flat angles C4'-P-C4' energy: -7.680
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -3.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -70.661418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.661418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.661418 (E_RNA)
where:
Base-Base interactions energy: -21.096
where: short stacking energy: -21.096
Base-Backbone interact. energy: -0.117
local terms energy: -49.448252
where:
bonds (distance) C4'-P energy: -9.736
bonds (distance) P-C4' energy: -9.746
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -9.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -63.524326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.524326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.524326 (E_RNA)
where:
Base-Base interactions energy: -28.183
where: short stacking energy: -12.881
Base-Backbone interact. energy: -0.029
local terms energy: -35.312653
where:
bonds (distance) C4'-P energy: -4.725
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -9.790
flat angles P-C4'-P energy: -7.596
tors. eta vs tors. theta energy: -0.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -61.886970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.886970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.886970 (E_RNA)
where:
Base-Base interactions energy: -21.077
where: short stacking energy: -20.644
Base-Backbone interact. energy: -0.115
local terms energy: -40.694687
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -10.033
flat angles P-C4'-P energy: -5.146
tors. eta vs tors. theta energy: 0.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -53.587183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.587183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.587183 (E_RNA)
where:
Base-Base interactions energy: -13.538
where: short stacking energy: -11.015
Base-Backbone interact. energy: -0.296
local terms energy: -39.753343
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -9.486
flat angles C4'-P-C4' energy: -10.657
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: 1.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -133.357562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.357562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.357562 (E_RNA)
where:
Base-Base interactions energy: -86.247
where: short stacking energy: -38.212
Base-Backbone interact. energy: -0.051
local terms energy: -47.059512
where:
bonds (distance) C4'-P energy: -7.974
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -11.847
flat angles P-C4'-P energy: -6.898
tors. eta vs tors. theta energy: -5.899
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: 312
Temperature: 0.950000
Total energy: -146.298780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.298780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.298780 (E_RNA)
where:
Base-Base interactions energy: -103.379
where: short stacking energy: -37.177
Base-Backbone interact. energy: -0.055
local terms energy: -42.865634
where:
bonds (distance) C4'-P energy: -10.219
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -11.575
flat angles P-C4'-P energy: -3.804
tors. eta vs tors. theta energy: -5.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -143.100071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.100071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.100071 (E_RNA)
where:
Base-Base interactions energy: -93.050
where: short stacking energy: -39.523
Base-Backbone interact. energy: -0.035
local terms energy: -50.015198
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -11.182
flat angles C4'-P-C4' energy: -9.224
flat angles P-C4'-P energy: -3.262
tors. eta vs tors. theta energy: -14.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -135.821283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.821283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.821283 (E_RNA)
where:
Base-Base interactions energy: -83.631
where: short stacking energy: -33.609
Base-Backbone interact. energy: -0.143
local terms energy: -52.047543
where:
bonds (distance) C4'-P energy: -11.620
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -11.117
flat angles P-C4'-P energy: -6.810
tors. eta vs tors. theta energy: -9.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -76.892135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.892135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.892135 (E_RNA)
where:
Base-Base interactions energy: -44.144
where: short stacking energy: -12.389
Base-Backbone interact. energy: 0.457
local terms energy: -33.205275
where:
bonds (distance) C4'-P energy: -11.746
bonds (distance) P-C4' energy: -10.749
flat angles C4'-P-C4' energy: -8.214
flat angles P-C4'-P energy: -4.957
tors. eta vs tors. theta energy: 2.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -81.160959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.160959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.160959 (E_RNA)
where:
Base-Base interactions energy: -45.974
where: short stacking energy: -29.490
Base-Backbone interact. energy: 0.234
local terms energy: -35.421358
where:
bonds (distance) C4'-P energy: -7.122
bonds (distance) P-C4' energy: -11.436
flat angles C4'-P-C4' energy: -6.826
flat angles P-C4'-P energy: -2.572
tors. eta vs tors. theta energy: -7.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -66.747153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.747153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.747153 (E_RNA)
where:
Base-Base interactions energy: -28.562
where: short stacking energy: -13.336
Base-Backbone interact. energy: -0.010
local terms energy: -38.175042
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -5.636
flat angles P-C4'-P energy: -6.553
tors. eta vs tors. theta energy: -2.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -59.610180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.610180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.610180 (E_RNA)
where:
Base-Base interactions energy: -21.756
where: short stacking energy: -13.597
Base-Backbone interact. energy: -0.009
local terms energy: -37.844818
where:
bonds (distance) C4'-P energy: -12.151
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -6.704
flat angles P-C4'-P energy: -6.106
tors. eta vs tors. theta energy: 0.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -66.460968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.460968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.460968 (E_RNA)
where:
Base-Base interactions energy: -28.531
where: short stacking energy: -20.477
Base-Backbone interact. energy: -1.309
local terms energy: -36.620448
where:
bonds (distance) C4'-P energy: -11.575
bonds (distance) P-C4' energy: -6.193
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -5.215
tors. eta vs tors. theta energy: -2.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -60.468276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.468276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.468276 (E_RNA)
where:
Base-Base interactions energy: -18.671
where: short stacking energy: -17.754
Base-Backbone interact. energy: -0.107
local terms energy: -41.690443
where:
bonds (distance) C4'-P energy: -12.449
bonds (distance) P-C4' energy: -11.606
flat angles C4'-P-C4' energy: -7.567
flat angles P-C4'-P energy: -5.825
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: 1, replica: 4
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -154.517324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.517324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.517324 (E_RNA)
where:
Base-Base interactions energy: -104.879
where: short stacking energy: -39.910
Base-Backbone interact. energy: -0.047
local terms energy: -49.590737
where:
bonds (distance) C4'-P energy: -10.064
bonds (distance) P-C4' energy: -11.894
flat angles C4'-P-C4' energy: -10.087
flat angles P-C4'-P energy: -5.584
tors. eta vs tors. theta energy: -11.962
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: 2, replica: 5
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -156.862830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.862830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.862830 (E_RNA)
where:
Base-Base interactions energy: -100.227
where: short stacking energy: -41.180
Base-Backbone interact. energy: -0.127
local terms energy: -56.508749
where:
bonds (distance) C4'-P energy: -11.916
bonds (distance) P-C4' energy: -12.770
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -6.148
tors. eta vs tors. theta energy: -13.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -142.006192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.006192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.006192 (E_RNA)
where:
Base-Base interactions energy: -86.496
where: short stacking energy: -36.254
Base-Backbone interact. energy: -0.001
local terms energy: -55.509181
where:
bonds (distance) C4'-P energy: -12.647
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -11.568
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: -11.497
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: 1
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -73.876357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.876357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.876357 (E_RNA)
where:
Base-Base interactions energy: -30.481
where: short stacking energy: -22.929
Base-Backbone interact. energy: -0.110
local terms energy: -43.285049
where:
bonds (distance) C4'-P energy: -8.727
bonds (distance) P-C4' energy: -12.273
flat angles C4'-P-C4' energy: -7.353
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -5.006
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: 9
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -123.525146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.525146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.525146 (E_RNA)
where:
Base-Base interactions energy: -78.135
where: short stacking energy: -28.757
Base-Backbone interact. energy: -0.020
local terms energy: -45.370394
where:
bonds (distance) C4'-P energy: -10.466
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -11.010
flat angles P-C4'-P energy: -3.420
tors. eta vs tors. theta energy: -7.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -121.490142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.490142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.490142 (E_RNA)
where:
Base-Base interactions energy: -73.563
where: short stacking energy: -30.261
Base-Backbone interact. energy: -0.127
local terms energy: -47.800774
where:
bonds (distance) C4'-P energy: -9.183
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -5.247
tors. eta vs tors. theta energy: -8.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -105.121778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.121778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.121778 (E_RNA)
where:
Base-Base interactions energy: -63.990
where: short stacking energy: -29.509
Base-Backbone interact. energy: -0.143
local terms energy: -40.988848
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -6.896
flat angles C4'-P-C4' energy: -11.391
flat angles P-C4'-P energy: -3.499
tors. eta vs tors. theta energy: -7.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -71.991983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.991983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.991983 (E_RNA)
where:
Base-Base interactions energy: -27.566
where: short stacking energy: -27.566
Base-Backbone interact. energy: -0.067
local terms energy: -44.359139
where:
bonds (distance) C4'-P energy: -9.273
bonds (distance) P-C4' energy: -7.989
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -8.190
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: 9, replica: 2
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -64.195818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.195818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.195818 (E_RNA)
where:
Base-Base interactions energy: -26.036
where: short stacking energy: -17.637
Base-Backbone interact. energy: -0.049
local terms energy: -38.110298
where:
bonds (distance) C4'-P energy: -12.055
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -7.167
flat angles P-C4'-P energy: -4.279
tors. eta vs tors. theta energy: -2.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -59.193159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.193159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.193159 (E_RNA)
where:
Base-Base interactions energy: -15.389
where: short stacking energy: -15.389
Base-Backbone interact. energy: -0.019
local terms energy: -43.785093
where:
bonds (distance) C4'-P energy: -10.219
bonds (distance) P-C4' energy: -11.816
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -7.101
tors. eta vs tors. theta energy: -2.221
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: 5
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -158.474805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.474805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.474805 (E_RNA)
where:
Base-Base interactions energy: -105.642
where: short stacking energy: -36.810
Base-Backbone interact. energy: -0.004
local terms energy: -52.828948
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -9.956
flat angles C4'-P-C4' energy: -10.763
flat angles P-C4'-P energy: -5.805
tors. eta vs tors. theta energy: -13.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -155.094275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.094275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.094275 (E_RNA)
where:
Base-Base interactions energy: -97.607
where: short stacking energy: -41.266
Base-Backbone interact. energy: -0.091
local terms energy: -57.396090
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -12.611
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: -11.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -132.478963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.478963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.478963 (E_RNA)
where:
Base-Base interactions energy: -85.261
where: short stacking energy: -33.907
Base-Backbone interact. energy: -0.076
local terms energy: -47.142084
where:
bonds (distance) C4'-P energy: -11.029
bonds (distance) P-C4' energy: -9.523
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -4.836
tors. eta vs tors. theta energy: -9.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -93.046668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.046668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.046668 (E_RNA)
where:
Base-Base interactions energy: -50.079
where: short stacking energy: -30.467
Base-Backbone interact. energy: 0.157
local terms energy: -43.123971
where:
bonds (distance) C4'-P energy: -11.290
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -11.026
flat angles P-C4'-P energy: -6.316
tors. eta vs tors. theta energy: -0.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -117.785324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.785324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.785324 (E_RNA)
where:
Base-Base interactions energy: -76.897
where: short stacking energy: -32.495
Base-Backbone interact. energy: -0.170
local terms energy: -40.718929
where:
bonds (distance) C4'-P energy: -7.279
bonds (distance) P-C4' energy: -10.080
flat angles C4'-P-C4' energy: -9.275
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: -6.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -69.355270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.355270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.355270 (E_RNA)
where:
Base-Base interactions energy: -27.786
where: short stacking energy: -20.345
Base-Backbone interact. energy: -0.065
local terms energy: -41.505183
where:
bonds (distance) C4'-P energy: -10.615
bonds (distance) P-C4' energy: -12.443
flat angles C4'-P-C4' energy: -9.355
flat angles P-C4'-P energy: -5.564
tors. eta vs tors. theta energy: -3.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -65.920284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.920284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.920284 (E_RNA)
where:
Base-Base interactions energy: -19.384
where: short stacking energy: -16.480
Base-Backbone interact. energy: -0.300
local terms energy: -46.236045
where:
bonds (distance) C4'-P energy: -10.945
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -8.565
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -2.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -66.158473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.158473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.158473 (E_RNA)
where:
Base-Base interactions energy: -25.923
where: short stacking energy: -20.080
Base-Backbone interact. energy: -1.072
local terms energy: -39.162570
where:
bonds (distance) C4'-P energy: -9.775
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -6.551
flat angles P-C4'-P energy: -6.060
tors. eta vs tors. theta energy: -3.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -60.139868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.139868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.139868 (E_RNA)
where:
Base-Base interactions energy: -18.195
where: short stacking energy: -14.007
Base-Backbone interact. energy: -0.022
local terms energy: -41.922865
where:
bonds (distance) C4'-P energy: -5.075
bonds (distance) P-C4' energy: -11.071
flat angles C4'-P-C4' energy: -10.423
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -6.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -51.557178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.557178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.557178 (E_RNA)
where:
Base-Base interactions energy: -12.719
where: short stacking energy: -8.642
Base-Backbone interact. energy: -0.351
local terms energy: -38.486960
where:
bonds (distance) C4'-P energy: -9.283
bonds (distance) P-C4' energy: -10.644
flat angles C4'-P-C4' energy: -10.540
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: -0.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -162.432064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.432064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.432064 (E_RNA)
where:
Base-Base interactions energy: -107.567
where: short stacking energy: -47.442
Base-Backbone interact. energy: -0.016
local terms energy: -54.849253
where:
bonds (distance) C4'-P energy: -9.307
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -7.146
tors. eta vs tors. theta energy: -12.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -151.910682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.910682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.910682 (E_RNA)
where:
Base-Base interactions energy: -102.881
where: short stacking energy: -36.869
Base-Backbone interact. energy: -0.211
local terms energy: -48.818180
where:
bonds (distance) C4'-P energy: -8.470
bonds (distance) P-C4' energy: -10.805
flat angles C4'-P-C4' energy: -11.483
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -10.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -126.184117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.184117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.184117 (E_RNA)
where:
Base-Base interactions energy: -74.789
where: short stacking energy: -23.397
Base-Backbone interact. energy: -0.155
local terms energy: -51.240104
where:
bonds (distance) C4'-P energy: -11.133
bonds (distance) P-C4' energy: -9.408
flat angles C4'-P-C4' energy: -11.836
flat angles P-C4'-P energy: -7.143
tors. eta vs tors. theta energy: -11.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -145.582238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.582238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.582238 (E_RNA)
where:
Base-Base interactions energy: -100.669
where: short stacking energy: -38.991
Base-Backbone interact. energy: -0.034
local terms energy: -44.879756
where:
bonds (distance) C4'-P energy: -7.720
bonds (distance) P-C4' energy: -9.188
flat angles C4'-P-C4' energy: -11.430
flat angles P-C4'-P energy: -5.463
tors. eta vs tors. theta energy: -11.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -81.999224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.999224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.999224 (E_RNA)
where:
Base-Base interactions energy: -34.662
where: short stacking energy: -26.098
Base-Backbone interact. energy: -0.047
local terms energy: -47.290167
where:
bonds (distance) C4'-P energy: -10.404
bonds (distance) P-C4' energy: -10.889
flat angles C4'-P-C4' energy: -8.672
flat angles P-C4'-P energy: -10.719
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: 6, replica: 3
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -75.304393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.304393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.304393 (E_RNA)
where:
Base-Base interactions energy: -33.148
where: short stacking energy: -25.988
Base-Backbone interact. energy: -0.200
local terms energy: -41.956256
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -9.366
flat angles C4'-P-C4' energy: -9.677
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -3.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -67.620372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.620372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.620372 (E_RNA)
where:
Base-Base interactions energy: -20.231
where: short stacking energy: -20.231
Base-Backbone interact. energy: -0.145
local terms energy: -47.244425
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -12.057
flat angles C4'-P-C4' energy: -10.912
flat angles P-C4'-P energy: -6.330
tors. eta vs tors. theta energy: -5.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -56.788285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.788285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.788285 (E_RNA)
where:
Base-Base interactions energy: -16.814
where: short stacking energy: -14.516
Base-Backbone interact. energy: -0.093
local terms energy: -39.880371
where:
bonds (distance) C4'-P energy: -9.098
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -10.863
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: 0.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -53.295236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.295236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.295236 (E_RNA)
where:
Base-Base interactions energy: -15.848
where: short stacking energy: -8.853
Base-Backbone interact. energy: -0.303
local terms energy: -37.144413
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -9.588
flat angles C4'-P-C4' energy: -10.567
flat angles P-C4'-P energy: -6.759
tors. eta vs tors. theta energy: 2.607
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: 2
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -60.736642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.736642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.736642 (E_RNA)
where:
Base-Base interactions energy: -24.492
where: short stacking energy: -13.093
Base-Backbone interact. energy: -1.231
local terms energy: -35.013928
where:
bonds (distance) C4'-P energy: -10.851
bonds (distance) P-C4' energy: -8.829
flat angles C4'-P-C4' energy: -8.497
flat angles P-C4'-P energy: -5.837
tors. eta vs tors. theta energy: -1.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -152.911320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.911320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.911320 (E_RNA)
where:
Base-Base interactions energy: -101.698
where: short stacking energy: -40.603
Base-Backbone interact. energy: -0.035
local terms energy: -51.177895
where:
bonds (distance) C4'-P energy: -9.919
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -10.705
flat angles P-C4'-P energy: -4.054
tors. eta vs tors. theta energy: -14.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -141.315032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.315032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.315032 (E_RNA)
where:
Base-Base interactions energy: -83.791
where: short stacking energy: -28.821
Base-Backbone interact. energy: -0.103
local terms energy: -57.420921
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -9.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -150.392818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.392818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.392818 (E_RNA)
where:
Base-Base interactions energy: -96.554
where: short stacking energy: -38.561
Base-Backbone interact. energy: -1.162
local terms energy: -52.676657
where:
bonds (distance) C4'-P energy: -11.402
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -11.947
flat angles P-C4'-P energy: -2.777
tors. eta vs tors. theta energy: -13.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -140.577422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.577422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.577422 (E_RNA)
where:
Base-Base interactions energy: -89.797
where: short stacking energy: -36.702
Base-Backbone interact. energy: -0.100
local terms energy: -50.680897
where:
bonds (distance) C4'-P energy: -11.497
bonds (distance) P-C4' energy: -10.859
flat angles C4'-P-C4' energy: -11.849
flat angles P-C4'-P energy: -3.713
tors. eta vs tors. theta energy: -12.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -66.191134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.191134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.191134 (E_RNA)
where:
Base-Base interactions energy: -25.598
where: short stacking energy: -25.598
Base-Backbone interact. energy: -0.145
local terms energy: -40.448490
where:
bonds (distance) C4'-P energy: -7.323
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -11.288
flat angles P-C4'-P energy: -4.780
tors. eta vs tors. theta energy: -3.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -73.801532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.801532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.801532 (E_RNA)
where:
Base-Base interactions energy: -31.182
where: short stacking energy: -28.712
Base-Backbone interact. energy: -0.410
local terms energy: -42.208864
where:
bonds (distance) C4'-P energy: -11.244
bonds (distance) P-C4' energy: -9.455
flat angles C4'-P-C4' energy: -10.579
flat angles P-C4'-P energy: -5.678
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: 7, replica: 8
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -73.794957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.794957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.794957 (E_RNA)
where:
Base-Base interactions energy: -37.226
where: short stacking energy: -19.022
Base-Backbone interact. energy: -0.282
local terms energy: -36.286888
where:
bonds (distance) C4'-P energy: -11.302
bonds (distance) P-C4' energy: -11.235
flat angles C4'-P-C4' energy: -6.847
flat angles P-C4'-P energy: -5.201
tors. eta vs tors. theta energy: -1.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -66.309588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.309588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.309588 (E_RNA)
where:
Base-Base interactions energy: -27.738
where: short stacking energy: -16.489
Base-Backbone interact. energy: -1.442
local terms energy: -37.129518
where:
bonds (distance) C4'-P energy: -9.262
bonds (distance) P-C4' energy: -11.325
flat angles C4'-P-C4' energy: -6.368
flat angles P-C4'-P energy: -6.132
tors. eta vs tors. theta energy: -4.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -55.311788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.311788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.311788 (E_RNA)
where:
Base-Base interactions energy: -17.285
where: short stacking energy: -14.578
Base-Backbone interact. energy: 0.329
local terms energy: -38.356292
where:
bonds (distance) C4'-P energy: -10.457
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -9.315
flat angles P-C4'-P energy: -7.154
tors. eta vs tors. theta energy: 2.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -66.021713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.021713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.021713 (E_RNA)
where:
Base-Base interactions energy: -21.703
where: short stacking energy: -21.438
Base-Backbone interact. energy: -0.218
local terms energy: -44.100941
where:
bonds (distance) C4'-P energy: -11.062
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -8.473
flat angles P-C4'-P energy: -5.614
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: 1, replica: 5
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -158.989465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.989465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.989465 (E_RNA)
where:
Base-Base interactions energy: -107.366
where: short stacking energy: -35.220
Base-Backbone interact. energy: -0.134
local terms energy: -51.489188
where:
bonds (distance) C4'-P energy: -7.196
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -11.848
flat angles P-C4'-P energy: -9.617
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: 2, replica: 7
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -151.639470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.639470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.639470 (E_RNA)
where:
Base-Base interactions energy: -102.723
where: short stacking energy: -38.823
Base-Backbone interact. energy: -0.645
local terms energy: -48.271301
where:
bonds (distance) C4'-P energy: -10.052
bonds (distance) P-C4' energy: -11.503
flat angles C4'-P-C4' energy: -11.322
flat angles P-C4'-P energy: -5.164
tors. eta vs tors. theta energy: -10.230
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: 4
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -138.277463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.277463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.277463 (E_RNA)
where:
Base-Base interactions energy: -82.711
where: short stacking energy: -39.260
Base-Backbone interact. energy: -0.691
local terms energy: -54.876261
where:
bonds (distance) C4'-P energy: -9.957
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -7.254
tors. eta vs tors. theta energy: -11.518
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: 317
Temperature: 1.050000
Total energy: -142.818662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.818662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.818662 (E_RNA)
where:
Base-Base interactions energy: -97.281
where: short stacking energy: -37.758
Base-Backbone interact. energy: -0.007
local terms energy: -45.531004
where:
bonds (distance) C4'-P energy: -4.690
bonds (distance) P-C4' energy: -10.889
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -8.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -99.528206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.528206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.528206 (E_RNA)
where:
Base-Base interactions energy: -54.247
where: short stacking energy: -25.384
Base-Backbone interact. energy: -0.000
local terms energy: -45.280783
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -8.302
flat angles C4'-P-C4' energy: -10.654
flat angles P-C4'-P energy: -4.337
tors. eta vs tors. theta energy: -9.125
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: 8
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -72.133899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.133899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.133899 (E_RNA)
where:
Base-Base interactions energy: -28.695
where: short stacking energy: -17.882
Base-Backbone interact. energy: -0.139
local terms energy: -43.300065
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -12.099
flat angles P-C4'-P energy: -6.422
tors. eta vs tors. theta energy: 0.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -63.466946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.466946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.466946 (E_RNA)
where:
Base-Base interactions energy: -14.325
where: short stacking energy: -14.325
Base-Backbone interact. energy: -0.494
local terms energy: -48.647179
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -13.311
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -0.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -86.605120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.605120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.605120 (E_RNA)
where:
Base-Base interactions energy: -48.019
where: short stacking energy: -15.485
Base-Backbone interact. energy: -0.082
local terms energy: -38.503250
where:
bonds (distance) C4'-P energy: -6.967
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -5.097
tors. eta vs tors. theta energy: -0.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -65.929321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.929321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.929321 (E_RNA)
where:
Base-Base interactions energy: -21.441
where: short stacking energy: -19.256
Base-Backbone interact. energy: -0.488
local terms energy: -44.000663
where:
bonds (distance) C4'-P energy: -8.246
bonds (distance) P-C4' energy: -9.950
flat angles C4'-P-C4' energy: -11.086
flat angles P-C4'-P energy: -9.433
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: 10, replica: 10
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -55.990765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.990765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.990765 (E_RNA)
where:
Base-Base interactions energy: -22.329
where: short stacking energy: -11.269
Base-Backbone interact. energy: -0.305
local terms energy: -33.356008
where:
bonds (distance) C4'-P energy: -9.762
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -11.109
flat angles P-C4'-P energy: -3.417
tors. eta vs tors. theta energy: 1.921
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: 5
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -155.742954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.742954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.742954 (E_RNA)
where:
Base-Base interactions energy: -102.169
where: short stacking energy: -46.569
Base-Backbone interact. energy: -1.012
local terms energy: -52.561627
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -10.907
flat angles P-C4'-P energy: -4.343
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: 2, replica: 7
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -141.272854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.272854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.272854 (E_RNA)
where:
Base-Base interactions energy: -92.163
where: short stacking energy: -34.293
Base-Backbone interact. energy: -0.008
local terms energy: -49.101322
where:
bonds (distance) C4'-P energy: -14.001
bonds (distance) P-C4' energy: -11.301
flat angles C4'-P-C4' energy: -9.795
flat angles P-C4'-P energy: -5.778
tors. eta vs tors. theta energy: -8.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -135.716994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.716994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.716994 (E_RNA)
where:
Base-Base interactions energy: -87.028
where: short stacking energy: -26.189
Base-Backbone interact. energy: -0.404
local terms energy: -48.284710
where:
bonds (distance) C4'-P energy: -7.650
bonds (distance) P-C4' energy: -12.013
flat angles C4'-P-C4' energy: -9.817
flat angles P-C4'-P energy: -7.032
tors. eta vs tors. theta energy: -11.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -147.284709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.284709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.284709 (E_RNA)
where:
Base-Base interactions energy: -89.149
where: short stacking energy: -40.951
Base-Backbone interact. energy: -0.001
local terms energy: -58.134868
where:
bonds (distance) C4'-P energy: -12.813
bonds (distance) P-C4' energy: -12.036
flat angles C4'-P-C4' energy: -10.949
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -13.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -75.605315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.605315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.605315 (E_RNA)
where:
Base-Base interactions energy: -34.932
where: short stacking energy: -22.690
Base-Backbone interact. energy: -0.300
local terms energy: -40.373323
where:
bonds (distance) C4'-P energy: -9.630
bonds (distance) P-C4' energy: -9.332
flat angles C4'-P-C4' energy: -10.907
flat angles P-C4'-P energy: -7.307
tors. eta vs tors. theta energy: -3.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -101.603873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.603873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.603873 (E_RNA)
where:
Base-Base interactions energy: -61.047
where: short stacking energy: -26.276
Base-Backbone interact. energy: -0.037
local terms energy: -40.519976
where:
bonds (distance) C4'-P energy: -7.162
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -9.059
flat angles P-C4'-P energy: -6.336
tors. eta vs tors. theta energy: -5.508
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: 2
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -90.965629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.965629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.965629 (E_RNA)
where:
Base-Base interactions energy: -49.502
where: short stacking energy: -19.544
Base-Backbone interact. energy: -0.251
local terms energy: -41.213191
where:
bonds (distance) C4'-P energy: -11.319
bonds (distance) P-C4' energy: -8.803
flat angles C4'-P-C4' energy: -9.559
flat angles P-C4'-P energy: -6.502
tors. eta vs tors. theta energy: -5.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -59.370459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.370459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.370459 (E_RNA)
where:
Base-Base interactions energy: -22.611
where: short stacking energy: -11.222
Base-Backbone interact. energy: -0.455
local terms energy: -36.304259
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -10.356
flat angles C4'-P-C4' energy: -9.233
flat angles P-C4'-P energy: -7.186
tors. eta vs tors. theta energy: 1.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -58.675655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.675655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.675655 (E_RNA)
where:
Base-Base interactions energy: -15.354
where: short stacking energy: -15.354
Base-Backbone interact. energy: 0.045
local terms energy: -43.366311
where:
bonds (distance) C4'-P energy: -7.895
bonds (distance) P-C4' energy: -11.630
flat angles C4'-P-C4' energy: -11.288
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -4.498
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: 9
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -54.924811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.924811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.924811 (E_RNA)
where:
Base-Base interactions energy: -18.336
where: short stacking energy: -15.935
Base-Backbone interact. energy: -0.153
local terms energy: -36.435572
where:
bonds (distance) C4'-P energy: -7.022
bonds (distance) P-C4' energy: -7.982
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -1.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -156.835247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.835247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.835247 (E_RNA)
where:
Base-Base interactions energy: -101.797
where: short stacking energy: -44.863
Base-Backbone interact. energy: -0.003
local terms energy: -55.035615
where:
bonds (distance) C4'-P energy: -12.540
bonds (distance) P-C4' energy: -11.226
flat angles C4'-P-C4' energy: -10.914
flat angles P-C4'-P energy: -7.657
tors. eta vs tors. theta energy: -12.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -145.436227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.436227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.436227 (E_RNA)
where:
Base-Base interactions energy: -89.497
where: short stacking energy: -30.882
Base-Backbone interact. energy: 0.277
local terms energy: -56.215851
where:
bonds (distance) C4'-P energy: -11.638
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -6.446
tors. eta vs tors. theta energy: -11.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -138.579563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.579563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.579563 (E_RNA)
where:
Base-Base interactions energy: -89.772
where: short stacking energy: -33.095
Base-Backbone interact. energy: -0.008
local terms energy: -48.799563
where:
bonds (distance) C4'-P energy: -10.863
bonds (distance) P-C4' energy: -9.193
flat angles C4'-P-C4' energy: -12.347
flat angles P-C4'-P energy: -5.605
tors. eta vs tors. theta energy: -10.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -133.741321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.741321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.741321 (E_RNA)
where:
Base-Base interactions energy: -83.815
where: short stacking energy: -30.255
Base-Backbone interact. energy: -0.015
local terms energy: -49.911413
where:
bonds (distance) C4'-P energy: -11.062
bonds (distance) P-C4' energy: -8.041
flat angles C4'-P-C4' energy: -11.299
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -9.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -88.874741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.874741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.874741 (E_RNA)
where:
Base-Base interactions energy: -50.108
where: short stacking energy: -18.855
Base-Backbone interact. energy: -0.078
local terms energy: -38.689120
where:
bonds (distance) C4'-P energy: -6.726
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -9.449
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: -3.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -111.335329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.335329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.335329 (E_RNA)
where:
Base-Base interactions energy: -60.381
where: short stacking energy: -20.421
Base-Backbone interact. energy: -0.111
local terms energy: -50.843846
where:
bonds (distance) C4'-P energy: -12.466
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -10.646
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: -7.778
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: 2
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -60.753173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.753173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.753173 (E_RNA)
where:
Base-Base interactions energy: -21.715
where: short stacking energy: -13.164
Base-Backbone interact. energy: -0.113
local terms energy: -38.924833
where:
bonds (distance) C4'-P energy: -10.668
bonds (distance) P-C4' energy: -11.602
flat angles C4'-P-C4' energy: -11.750
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: 2.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -55.601985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.601985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.601985 (E_RNA)
where:
Base-Base interactions energy: -16.258
where: short stacking energy: -16.258
Base-Backbone interact. energy: 0.445
local terms energy: -39.788865
where:
bonds (distance) C4'-P energy: -8.143
bonds (distance) P-C4' energy: -12.371
flat angles C4'-P-C4' energy: -11.375
flat angles P-C4'-P energy: -5.575
tors. eta vs tors. theta energy: -2.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -65.049441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.049441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.049441 (E_RNA)
where:
Base-Base interactions energy: -20.969
where: short stacking energy: -20.969
Base-Backbone interact. energy: -0.809
local terms energy: -43.271553
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -8.478
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -0.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -66.685271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.685271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.685271 (E_RNA)
where:
Base-Base interactions energy: -27.359
where: short stacking energy: -12.865
Base-Backbone interact. energy: -0.091
local terms energy: -39.235271
where:
bonds (distance) C4'-P energy: -12.329
bonds (distance) P-C4' energy: -11.138
flat angles C4'-P-C4' energy: -11.974
flat angles P-C4'-P energy: -0.214
tors. eta vs tors. theta energy: -3.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -156.064244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.064244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.064244 (E_RNA)
where:
Base-Base interactions energy: -98.021
where: short stacking energy: -39.688
Base-Backbone interact. energy: -0.047
local terms energy: -57.996556
where:
bonds (distance) C4'-P energy: -13.894
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -13.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -146.593489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.593489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.593489 (E_RNA)
where:
Base-Base interactions energy: -96.203
where: short stacking energy: -36.481
Base-Backbone interact. energy: -0.452
local terms energy: -49.938765
where:
bonds (distance) C4'-P energy: -7.393
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -10.511
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -9.746
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: 4
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -153.757489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.757489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.757489 (E_RNA)
where:
Base-Base interactions energy: -99.222
where: short stacking energy: -34.865
Base-Backbone interact. energy: -0.071
local terms energy: -54.464562
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -11.388
flat angles P-C4'-P energy: -6.054
tors. eta vs tors. theta energy: -12.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -131.993985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.993985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.993985 (E_RNA)
where:
Base-Base interactions energy: -78.792
where: short stacking energy: -36.923
Base-Backbone interact. energy: -0.008
local terms energy: -53.194200
where:
bonds (distance) C4'-P energy: -10.411
bonds (distance) P-C4' energy: -9.682
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: -11.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -115.015103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.015103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.015103 (E_RNA)
where:
Base-Base interactions energy: -68.057
where: short stacking energy: -31.186
Base-Backbone interact. energy: -0.043
local terms energy: -46.914689
where:
bonds (distance) C4'-P energy: -9.837
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -11.715
flat angles P-C4'-P energy: -4.328
tors. eta vs tors. theta energy: -8.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -82.521902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.521902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.521902 (E_RNA)
where:
Base-Base interactions energy: -38.962
where: short stacking energy: -23.245
Base-Backbone interact. energy: -0.120
local terms energy: -43.439761
where:
bonds (distance) C4'-P energy: -11.886
bonds (distance) P-C4' energy: -11.731
flat angles C4'-P-C4' energy: -7.471
flat angles P-C4'-P energy: -8.634
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: 7, replica: 2
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -71.443239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.443239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.443239 (E_RNA)
where:
Base-Base interactions energy: -25.690
where: short stacking energy: -24.641
Base-Backbone interact. energy: -0.002
local terms energy: -45.751300
where:
bonds (distance) C4'-P energy: -10.412
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -10.974
flat angles P-C4'-P energy: -7.879
tors. eta vs tors. theta energy: -4.723
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: 8, replica: 1
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -58.932853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.932853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.932853 (E_RNA)
where:
Base-Base interactions energy: -17.460
where: short stacking energy: -17.460
Base-Backbone interact. energy: -0.079
local terms energy: -41.394074
where:
bonds (distance) C4'-P energy: -10.752
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -10.492
flat angles P-C4'-P energy: -3.666
tors. eta vs tors. theta energy: -2.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -70.070089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.070089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.070089 (E_RNA)
where:
Base-Base interactions energy: -30.588
where: short stacking energy: -22.927
Base-Backbone interact. energy: -0.023
local terms energy: -39.458813
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -7.875
flat angles C4'-P-C4' energy: -10.789
flat angles P-C4'-P energy: -4.354
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: 10, replica: 10
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -70.591841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.591841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.591841 (E_RNA)
where:
Base-Base interactions energy: -21.424
where: short stacking energy: -21.424
Base-Backbone interact. energy: -0.013
local terms energy: -49.154852
where:
bonds (distance) C4'-P energy: -13.057
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -9.489
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -4.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -160.110412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.110412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.110412 (E_RNA)
where:
Base-Base interactions energy: -105.196
where: short stacking energy: -40.870
Base-Backbone interact. energy: 0.181
local terms energy: -55.095256
where:
bonds (distance) C4'-P energy: -10.373
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -10.547
flat angles P-C4'-P energy: -7.200
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: 2, replica: 5
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -149.559924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.559924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.559924 (E_RNA)
where:
Base-Base interactions energy: -100.858
where: short stacking energy: -40.199
Base-Backbone interact. energy: 0.264
local terms energy: -48.965335
where:
bonds (distance) C4'-P energy: -11.390
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -9.277
flat angles P-C4'-P energy: -9.234
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: 3, replica: 4
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -144.772987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.772987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.772987 (E_RNA)
where:
Base-Base interactions energy: -86.850
where: short stacking energy: -33.136
Base-Backbone interact. energy: -0.059
local terms energy: -57.863472
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -10.939
flat angles P-C4'-P energy: -6.940
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: 4, replica: 3
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -126.783116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.783116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.783116 (E_RNA)
where:
Base-Base interactions energy: -78.569
where: short stacking energy: -31.510
Base-Backbone interact. energy: -0.058
local terms energy: -48.156440
where:
bonds (distance) C4'-P energy: -8.559
bonds (distance) P-C4' energy: -11.809
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -5.428
tors. eta vs tors. theta energy: -9.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -131.806841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.806841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.806841 (E_RNA)
where:
Base-Base interactions energy: -86.767
where: short stacking energy: -42.406
Base-Backbone interact. energy: -0.027
local terms energy: -45.012658
where:
bonds (distance) C4'-P energy: -7.631
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -9.073
flat angles P-C4'-P energy: -5.919
tors. eta vs tors. theta energy: -10.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -82.572232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.572232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.572232 (E_RNA)
where:
Base-Base interactions energy: -34.871
where: short stacking energy: -20.892
Base-Backbone interact. energy: -0.002
local terms energy: -47.699150
where:
bonds (distance) C4'-P energy: -13.264
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -4.884
tors. eta vs tors. theta energy: -5.203
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: 321
Temperature: 1.200000
Total energy: -70.643987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.643987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.643987 (E_RNA)
where:
Base-Base interactions energy: -21.392
where: short stacking energy: -17.592
Base-Backbone interact. energy: -0.296
local terms energy: -48.955865
where:
bonds (distance) C4'-P energy: -10.002
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -5.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -59.744771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.744771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.744771 (E_RNA)
where:
Base-Base interactions energy: -17.638
where: short stacking energy: -17.638
Base-Backbone interact. energy: -0.911
local terms energy: -41.195353
where:
bonds (distance) C4'-P energy: -9.534
bonds (distance) P-C4' energy: -12.910
flat angles C4'-P-C4' energy: -10.300
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -2.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -62.709331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.709331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.709331 (E_RNA)
where:
Base-Base interactions energy: -27.794
where: short stacking energy: -12.001
Base-Backbone interact. energy: -0.440
local terms energy: -34.475450
where:
bonds (distance) C4'-P energy: -10.689
bonds (distance) P-C4' energy: -10.507
flat angles C4'-P-C4' energy: -6.259
flat angles P-C4'-P energy: -5.501
tors. eta vs tors. theta energy: -1.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -55.627167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.627167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.627167 (E_RNA)
where:
Base-Base interactions energy: -17.172
where: short stacking energy: -17.172
Base-Backbone interact. energy: -0.111
local terms energy: -38.344742
where:
bonds (distance) C4'-P energy: -8.689
bonds (distance) P-C4' energy: -9.749
flat angles C4'-P-C4' energy: -9.202
flat angles P-C4'-P energy: -6.464
tors. eta vs tors. theta energy: -4.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -154.740554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.740554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.740554 (E_RNA)
where:
Base-Base interactions energy: -104.922
where: short stacking energy: -36.368
Base-Backbone interact. energy: -0.013
local terms energy: -49.805213
where:
bonds (distance) C4'-P energy: -11.334
bonds (distance) P-C4' energy: -12.077
flat angles C4'-P-C4' energy: -10.764
flat angles P-C4'-P energy: -5.700
tors. eta vs tors. theta energy: -9.930
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: 7
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -150.380895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.380895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.380895 (E_RNA)
where:
Base-Base interactions energy: -93.021
where: short stacking energy: -37.854
Base-Backbone interact. energy: -0.407
local terms energy: -56.952603
where:
bonds (distance) C4'-P energy: -11.654
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -4.776
tors. eta vs tors. theta energy: -14.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -145.533393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.533393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.533393 (E_RNA)
where:
Base-Base interactions energy: -88.653
where: short stacking energy: -40.307
Base-Backbone interact. energy: -0.018
local terms energy: -56.862548
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -12.005
flat angles P-C4'-P energy: -4.886
tors. eta vs tors. theta energy: -13.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -126.618155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.618155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.618155 (E_RNA)
where:
Base-Base interactions energy: -80.496
where: short stacking energy: -37.812
Base-Backbone interact. energy: -0.021
local terms energy: -46.100263
where:
bonds (distance) C4'-P energy: -6.917
bonds (distance) P-C4' energy: -9.891
flat angles C4'-P-C4' energy: -9.933
flat angles P-C4'-P energy: -7.422
tors. eta vs tors. theta energy: -11.937
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: 5, replica: 2
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -97.596912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.596912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.596912 (E_RNA)
where:
Base-Base interactions energy: -55.515
where: short stacking energy: -16.916
Base-Backbone interact. energy: -1.365
local terms energy: -40.717076
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -6.961
flat angles P-C4'-P energy: -5.257
tors. eta vs tors. theta energy: -3.230
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: 6
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -121.919409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.919409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.919409 (E_RNA)
where:
Base-Base interactions energy: -77.215
where: short stacking energy: -22.324
Base-Backbone interact. energy: -0.086
local terms energy: -44.618626
where:
bonds (distance) C4'-P energy: -11.820
bonds (distance) P-C4' energy: -10.303
flat angles C4'-P-C4' energy: -6.803
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -5.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -59.037941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.037941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.037941 (E_RNA)
where:
Base-Base interactions energy: -20.495
where: short stacking energy: -20.495
Base-Backbone interact. energy: -0.074
local terms energy: -38.469221
where:
bonds (distance) C4'-P energy: -9.936
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -8.415
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: 1.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -88.694247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.694247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.694247 (E_RNA)
where:
Base-Base interactions energy: -42.287
where: short stacking energy: -26.052
Base-Backbone interact. energy: -0.046
local terms energy: -46.361207
where:
bonds (distance) C4'-P energy: -10.185
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -10.493
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: -4.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -65.107602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.107602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.107602 (E_RNA)
where:
Base-Base interactions energy: -29.170
where: short stacking energy: -15.102
Base-Backbone interact. energy: -0.178
local terms energy: -35.759636
where:
bonds (distance) C4'-P energy: -11.211
bonds (distance) P-C4' energy: -10.570
flat angles C4'-P-C4' energy: -9.084
flat angles P-C4'-P energy: -7.273
tors. eta vs tors. theta energy: 2.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -55.210142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.210142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.210142 (E_RNA)
where:
Base-Base interactions energy: -13.180
where: short stacking energy: -8.068
Base-Backbone interact. energy: -0.185
local terms energy: -41.844823
where:
bonds (distance) C4'-P energy: -11.828
bonds (distance) P-C4' energy: -11.748
flat angles C4'-P-C4' energy: -9.893
flat angles P-C4'-P energy: -6.742
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: 5
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -151.991581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.991581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.991581 (E_RNA)
where:
Base-Base interactions energy: -91.337
where: short stacking energy: -46.267
Base-Backbone interact. energy: -0.010
local terms energy: -60.644871
where:
bonds (distance) C4'-P energy: -11.534
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -10.645
flat angles P-C4'-P energy: -11.939
tors. eta vs tors. theta energy: -13.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -159.554251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.554251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.554251 (E_RNA)
where:
Base-Base interactions energy: -104.005
where: short stacking energy: -40.304
Base-Backbone interact. energy: -0.000
local terms energy: -55.549027
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -11.130
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -6.310
tors. eta vs tors. theta energy: -11.699
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: 4
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -150.293822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.293822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.293822 (E_RNA)
where:
Base-Base interactions energy: -108.513
where: short stacking energy: -19.507
Base-Backbone interact. energy: -0.133
local terms energy: -41.647738
where:
bonds (distance) C4'-P energy: -9.994
bonds (distance) P-C4' energy: -8.474
flat angles C4'-P-C4' energy: -7.906
flat angles P-C4'-P energy: -2.390
tors. eta vs tors. theta energy: -12.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -135.218720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.218720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.218720 (E_RNA)
where:
Base-Base interactions energy: -79.199
where: short stacking energy: -36.968
Base-Backbone interact. energy: -0.075
local terms energy: -55.945005
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -11.496
flat angles P-C4'-P energy: -6.982
tors. eta vs tors. theta energy: -12.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -90.058978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.058978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.058978 (E_RNA)
where:
Base-Base interactions energy: -50.450
where: short stacking energy: -16.976
Base-Backbone interact. energy: -0.117
local terms energy: -39.492341
where:
bonds (distance) C4'-P energy: -9.618
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -8.108
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -0.798
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: 6
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -111.231430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.231430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.231430 (E_RNA)
where:
Base-Base interactions energy: -66.289
where: short stacking energy: -27.909
Base-Backbone interact. energy: -0.084
local terms energy: -44.858381
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -7.739
flat angles C4'-P-C4' energy: -11.211
flat angles P-C4'-P energy: -4.027
tors. eta vs tors. theta energy: -8.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -72.893215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.893215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.893215 (E_RNA)
where:
Base-Base interactions energy: -41.125
where: short stacking energy: -9.691
Base-Backbone interact. energy: -0.902
local terms energy: -30.866205
where:
bonds (distance) C4'-P energy: -7.944
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -10.234
flat angles P-C4'-P energy: -3.053
tors. eta vs tors. theta energy: 3.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -60.874970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.874970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.874970 (E_RNA)
where:
Base-Base interactions energy: -30.642
where: short stacking energy: -11.770
Base-Backbone interact. energy: 0.846
local terms energy: -31.079379
where:
bonds (distance) C4'-P energy: -11.232
bonds (distance) P-C4' energy: -6.922
flat angles C4'-P-C4' energy: -6.995
flat angles P-C4'-P energy: -6.414
tors. eta vs tors. theta energy: 0.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -66.371954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.371954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.371954 (E_RNA)
where:
Base-Base interactions energy: -27.455
where: short stacking energy: -10.332
Base-Backbone interact. energy: 0.388
local terms energy: -39.304528
where:
bonds (distance) C4'-P energy: -10.011
bonds (distance) P-C4' energy: -12.161
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -6.608
tors. eta vs tors. theta energy: 2.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -60.470326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.470326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.470326 (E_RNA)
where:
Base-Base interactions energy: -27.434
where: short stacking energy: -6.398
Base-Backbone interact. energy: -0.817
local terms energy: -32.218795
where:
bonds (distance) C4'-P energy: -8.967
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -9.339
flat angles P-C4'-P energy: -5.555
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: 1, replica: 7
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -160.842478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.842478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.842478 (E_RNA)
where:
Base-Base interactions energy: -102.455
where: short stacking energy: -40.252
Base-Backbone interact. energy: -0.153
local terms energy: -58.234823
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -7.995
tors. eta vs tors. theta energy: -12.284
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: 5
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -145.368682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.368682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.368682 (E_RNA)
where:
Base-Base interactions energy: -88.131
where: short stacking energy: -41.844
Base-Backbone interact. energy: -0.503
local terms energy: -56.734517
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -7.617
flat angles C4'-P-C4' energy: -11.463
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: -15.672
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: 3, replica: 3
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -140.632609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.632609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.632609 (E_RNA)
where:
Base-Base interactions energy: -82.146
where: short stacking energy: -41.048
Base-Backbone interact. energy: -0.004
local terms energy: -58.483309
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -11.775
flat angles C4'-P-C4' energy: -11.400
flat angles P-C4'-P energy: -7.335
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: 4, replica: 4
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -133.077091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.077091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.077091 (E_RNA)
where:
Base-Base interactions energy: -92.078
where: short stacking energy: -33.344
Base-Backbone interact. energy: -0.226
local terms energy: -40.772428
where:
bonds (distance) C4'-P energy: -10.044
bonds (distance) P-C4' energy: -10.497
flat angles C4'-P-C4' energy: -9.783
flat angles P-C4'-P energy: -3.937
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: 5, replica: 2
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -126.839845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.839845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.839845 (E_RNA)
where:
Base-Base interactions energy: -86.091
where: short stacking energy: -30.777
Base-Backbone interact. energy: 0.425
local terms energy: -41.174045
where:
bonds (distance) C4'-P energy: -9.579
bonds (distance) P-C4' energy: -6.939
flat angles C4'-P-C4' energy: -9.155
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -7.296
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: 6
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -117.958667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.958667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.958667 (E_RNA)
where:
Base-Base interactions energy: -73.700
where: short stacking energy: -27.229
Base-Backbone interact. energy: -0.164
local terms energy: -44.095100
where:
bonds (distance) C4'-P energy: -9.900
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -9.860
flat angles P-C4'-P energy: -4.658
tors. eta vs tors. theta energy: -6.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -60.754247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.754247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.754247 (E_RNA)
where:
Base-Base interactions energy: -21.182
where: short stacking energy: -20.248
Base-Backbone interact. energy: -0.027
local terms energy: -39.544471
where:
bonds (distance) C4'-P energy: -11.377
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -11.357
flat angles P-C4'-P energy: -3.229
tors. eta vs tors. theta energy: -2.314
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: 8, replica: 1
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -60.965899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.965899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.965899 (E_RNA)
where:
Base-Base interactions energy: -19.927
where: short stacking energy: -19.439
Base-Backbone interact. energy: -0.272
local terms energy: -40.766530
where:
bonds (distance) C4'-P energy: -10.433
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -9.684
flat angles P-C4'-P energy: -4.234
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: 9, replica: 9
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -58.089625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.089625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.089625 (E_RNA)
where:
Base-Base interactions energy: -13.831
where: short stacking energy: -11.746
Base-Backbone interact. energy: -0.855
local terms energy: -43.404188
where:
bonds (distance) C4'-P energy: -7.204
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -8.523
tors. eta vs tors. theta energy: -1.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -52.135158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.135158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.135158 (E_RNA)
where:
Base-Base interactions energy: -18.546
where: short stacking energy: -16.381
Base-Backbone interact. energy: -0.631
local terms energy: -32.958360
where:
bonds (distance) C4'-P energy: -3.959
bonds (distance) P-C4' energy: -10.927
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: 3.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -146.611814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.611814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.611814 (E_RNA)
where:
Base-Base interactions energy: -96.845
where: short stacking energy: -34.522
Base-Backbone interact. energy: -0.050
local terms energy: -49.717009
where:
bonds (distance) C4'-P energy: -9.133
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -9.003
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -9.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -145.139291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.139291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.139291 (E_RNA)
where:
Base-Base interactions energy: -94.343
where: short stacking energy: -40.672
Base-Backbone interact. energy: -0.008
local terms energy: -50.788557
where:
bonds (distance) C4'-P energy: -13.376
bonds (distance) P-C4' energy: -9.700
flat angles C4'-P-C4' energy: -7.842
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -8.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -112.738948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.738948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.738948 (E_RNA)
where:
Base-Base interactions energy: -61.174
where: short stacking energy: -33.546
Base-Backbone interact. energy: -0.174
local terms energy: -51.390942
where:
bonds (distance) C4'-P energy: -11.310
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -10.115
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -7.937
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: 4, replica: 4
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -146.356047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.356047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.356047 (E_RNA)
where:
Base-Base interactions energy: -87.765
where: short stacking energy: -37.404
Base-Backbone interact. energy: -0.661
local terms energy: -57.929733
where:
bonds (distance) C4'-P energy: -12.751
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -11.903
flat angles P-C4'-P energy: -6.897
tors. eta vs tors. theta energy: -13.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -127.305041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.305041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.305041 (E_RNA)
where:
Base-Base interactions energy: -89.016
where: short stacking energy: -21.647
Base-Backbone interact. energy: -0.109
local terms energy: -38.180884
where:
bonds (distance) C4'-P energy: -12.217
bonds (distance) P-C4' energy: -10.565
flat angles C4'-P-C4' energy: -4.322
flat angles P-C4'-P energy: -5.379
tors. eta vs tors. theta energy: -5.698
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: 6
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -123.420018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.420018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.420018 (E_RNA)
where:
Base-Base interactions energy: -77.491
where: short stacking energy: -15.272
Base-Backbone interact. energy: -0.205
local terms energy: -45.724190
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -10.659
flat angles C4'-P-C4' energy: -11.110
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -2.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -106.710525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.710525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.710525 (E_RNA)
where:
Base-Base interactions energy: -61.028
where: short stacking energy: -26.007
Base-Backbone interact. energy: -0.094
local terms energy: -45.587749
where:
bonds (distance) C4'-P energy: -9.358
bonds (distance) P-C4' energy: -10.107
flat angles C4'-P-C4' energy: -10.078
flat angles P-C4'-P energy: -6.079
tors. eta vs tors. theta energy: -9.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -58.274043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.274043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.274043 (E_RNA)
where:
Base-Base interactions energy: -27.099
where: short stacking energy: -14.190
Base-Backbone interact. energy: -0.049
local terms energy: -31.125866
where:
bonds (distance) C4'-P energy: -8.611
bonds (distance) P-C4' energy: -9.626
flat angles C4'-P-C4' energy: -8.879
flat angles P-C4'-P energy: -4.351
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: 9, replica: 1
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -60.485536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.485536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.485536 (E_RNA)
where:
Base-Base interactions energy: -19.409
where: short stacking energy: -7.144
Base-Backbone interact. energy: -0.129
local terms energy: -40.947082
where:
bonds (distance) C4'-P energy: -9.535
bonds (distance) P-C4' energy: -11.626
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -4.894
tors. eta vs tors. theta energy: -0.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -64.754130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.754130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.754130 (E_RNA)
where:
Base-Base interactions energy: -23.592
where: short stacking energy: -23.592
Base-Backbone interact. energy: -0.048
local terms energy: -41.113832
where:
bonds (distance) C4'-P energy: -8.864
bonds (distance) P-C4' energy: -6.013
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: -6.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -148.546302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.546302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.546302 (E_RNA)
where:
Base-Base interactions energy: -90.057
where: short stacking energy: -36.536
Base-Backbone interact. energy: -0.007
local terms energy: -58.482325
where:
bonds (distance) C4'-P energy: -11.993
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -5.771
tors. eta vs tors. theta energy: -13.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -139.876049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.876049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.876049 (E_RNA)
where:
Base-Base interactions energy: -91.996
where: short stacking energy: -40.088
Base-Backbone interact. energy: -0.155
local terms energy: -47.725060
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -10.408
flat angles C4'-P-C4' energy: -11.201
flat angles P-C4'-P energy: -3.794
tors. eta vs tors. theta energy: -10.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -130.072363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.072363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.072363 (E_RNA)
where:
Base-Base interactions energy: -79.022
where: short stacking energy: -34.526
Base-Backbone interact. energy: -0.132
local terms energy: -50.918793
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -9.604
flat angles C4'-P-C4' energy: -11.311
flat angles P-C4'-P energy: -8.068
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: 4, replica: 3
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -95.308219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.308219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.308219 (E_RNA)
where:
Base-Base interactions energy: -44.590
where: short stacking energy: -21.665
Base-Backbone interact. energy: -0.191
local terms energy: -50.527201
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -7.077
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: 5, replica: 2
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -114.759367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.759367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.759367 (E_RNA)
where:
Base-Base interactions energy: -71.385
where: short stacking energy: -25.876
Base-Backbone interact. energy: -0.213
local terms energy: -43.160463
where:
bonds (distance) C4'-P energy: -6.909
bonds (distance) P-C4' energy: -9.514
flat angles C4'-P-C4' energy: -11.989
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -6.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -118.626818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.626818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.626818 (E_RNA)
where:
Base-Base interactions energy: -73.169
where: short stacking energy: -24.603
Base-Backbone interact. energy: 0.863
local terms energy: -46.320712
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -11.279
flat angles C4'-P-C4' energy: -11.197
flat angles P-C4'-P energy: -6.340
tors. eta vs tors. theta energy: -6.000
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: 10
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -111.509397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.509397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.509397 (E_RNA)
where:
Base-Base interactions energy: -75.196
where: short stacking energy: -30.407
Base-Backbone interact. energy: 0.775
local terms energy: -37.088454
where:
bonds (distance) C4'-P energy: -7.750
bonds (distance) P-C4' energy: -9.259
flat angles C4'-P-C4' energy: -11.005
flat angles P-C4'-P energy: -5.444
tors. eta vs tors. theta energy: -3.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -74.577163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.577163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.577163 (E_RNA)
where:
Base-Base interactions energy: -23.080
where: short stacking energy: -23.080
Base-Backbone interact. energy: 0.796
local terms energy: -52.292945
where:
bonds (distance) C4'-P energy: -9.650
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -10.311
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -8.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -63.608596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.608596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.608596 (E_RNA)
where:
Base-Base interactions energy: -35.268
where: short stacking energy: -11.203
Base-Backbone interact. energy: -0.062
local terms energy: -28.278339
where:
bonds (distance) C4'-P energy: -4.579
bonds (distance) P-C4' energy: -10.798
flat angles C4'-P-C4' energy: -8.060
flat angles P-C4'-P energy: -6.583
tors. eta vs tors. theta energy: 1.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -62.435890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.435890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.435890 (E_RNA)
where:
Base-Base interactions energy: -17.927
where: short stacking energy: -12.860
Base-Backbone interact. energy: -0.343
local terms energy: -44.164954
where:
bonds (distance) C4'-P energy: -11.870
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -8.112
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -0.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -146.781353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.781353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.781353 (E_RNA)
where:
Base-Base interactions energy: -91.607
where: short stacking energy: -31.357
Base-Backbone interact. energy: 0.692
local terms energy: -55.866446
where:
bonds (distance) C4'-P energy: -12.817
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -11.476
flat angles P-C4'-P energy: -9.230
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: 2, replica: 7
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -155.953916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.953916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.953916 (E_RNA)
where:
Base-Base interactions energy: -106.045
where: short stacking energy: -35.065
Base-Backbone interact. energy: -0.002
local terms energy: -49.906669
where:
bonds (distance) C4'-P energy: -7.340
bonds (distance) P-C4' energy: -12.324
flat angles C4'-P-C4' energy: -11.953
flat angles P-C4'-P energy: -5.463
tors. eta vs tors. theta energy: -12.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -155.546337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.546337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.546337 (E_RNA)
where:
Base-Base interactions energy: -102.892
where: short stacking energy: -36.314
Base-Backbone interact. energy: -0.873
local terms energy: -51.780990
where:
bonds (distance) C4'-P energy: -11.961
bonds (distance) P-C4' energy: -12.229
flat angles C4'-P-C4' energy: -10.658
flat angles P-C4'-P energy: -4.878
tors. eta vs tors. theta energy: -12.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -112.052587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.052587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.052587 (E_RNA)
where:
Base-Base interactions energy: -67.897
where: short stacking energy: -25.591
Base-Backbone interact. energy: -1.221
local terms energy: -42.935522
where:
bonds (distance) C4'-P energy: -10.606
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -10.515
flat angles P-C4'-P energy: -6.175
tors. eta vs tors. theta energy: -4.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -82.774268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.774268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.774268 (E_RNA)
where:
Base-Base interactions energy: -36.087
where: short stacking energy: -21.473
Base-Backbone interact. energy: -0.590
local terms energy: -46.097864
where:
bonds (distance) C4'-P energy: -10.635
bonds (distance) P-C4' energy: -10.318
flat angles C4'-P-C4' energy: -9.302
flat angles P-C4'-P energy: -7.233
tors. eta vs tors. theta energy: -8.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -135.381341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.381341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.381341 (E_RNA)
where:
Base-Base interactions energy: -79.217
where: short stacking energy: -33.535
Base-Backbone interact. energy: -0.002
local terms energy: -56.162465
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -11.566
flat angles C4'-P-C4' energy: -10.771
flat angles P-C4'-P energy: -5.807
tors. eta vs tors. theta energy: -16.460
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: 6
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -115.055229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.055229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.055229 (E_RNA)
where:
Base-Base interactions energy: -65.995
where: short stacking energy: -26.623
Base-Backbone interact. energy: -0.023
local terms energy: -49.037406
where:
bonds (distance) C4'-P energy: -11.923
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -8.047
tors. eta vs tors. theta energy: -3.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -62.581592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.581592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.581592 (E_RNA)
where:
Base-Base interactions energy: -26.117
where: short stacking energy: -11.576
Base-Backbone interact. energy: -0.001
local terms energy: -36.463270
where:
bonds (distance) C4'-P energy: -6.433
bonds (distance) P-C4' energy: -11.439
flat angles C4'-P-C4' energy: -8.491
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -1.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -58.355162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.355162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.355162 (E_RNA)
where:
Base-Base interactions energy: -9.361
where: short stacking energy: -9.361
Base-Backbone interact. energy: -0.078
local terms energy: -48.915743
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -9.954
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -2.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -60.830710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.830710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.830710 (E_RNA)
where:
Base-Base interactions energy: -27.727
where: short stacking energy: -17.646
Base-Backbone interact. energy: -0.050
local terms energy: -33.053242
where:
bonds (distance) C4'-P energy: -6.272
bonds (distance) P-C4' energy: -11.339
flat angles C4'-P-C4' energy: -8.567
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -0.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -148.903737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.903737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.903737 (E_RNA)
where:
Base-Base interactions energy: -90.087
where: short stacking energy: -32.015
Base-Backbone interact. energy: -0.911
local terms energy: -57.905769
where:
bonds (distance) C4'-P energy: -12.382
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -10.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -153.475959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.475959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.475959 (E_RNA)
where:
Base-Base interactions energy: -99.443
where: short stacking energy: -45.246
Base-Backbone interact. energy: -0.003
local terms energy: -54.030289
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -10.376
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -10.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -146.452988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.452988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.452988 (E_RNA)
where:
Base-Base interactions energy: -94.538
where: short stacking energy: -33.821
Base-Backbone interact. energy: -0.040
local terms energy: -51.874624
where:
bonds (distance) C4'-P energy: -11.973
bonds (distance) P-C4' energy: -11.154
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -5.576
tors. eta vs tors. theta energy: -10.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -115.686257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.686257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.686257 (E_RNA)
where:
Base-Base interactions energy: -67.714
where: short stacking energy: -37.123
Base-Backbone interact. energy: 0.753
local terms energy: -48.724813
where:
bonds (distance) C4'-P energy: -10.263
bonds (distance) P-C4' energy: -11.879
flat angles C4'-P-C4' energy: -10.622
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: -7.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -133.177671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.177671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.177671 (E_RNA)
where:
Base-Base interactions energy: -90.290
where: short stacking energy: -31.459
Base-Backbone interact. energy: -0.004
local terms energy: -42.884129
where:
bonds (distance) C4'-P energy: -9.340
bonds (distance) P-C4' energy: -8.580
flat angles C4'-P-C4' energy: -10.702
flat angles P-C4'-P energy: -3.939
tors. eta vs tors. theta energy: -10.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -86.166972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.166972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.166972 (E_RNA)
where:
Base-Base interactions energy: -46.177
where: short stacking energy: -18.581
Base-Backbone interact. energy: -0.201
local terms energy: -39.789004
where:
bonds (distance) C4'-P energy: -10.909
bonds (distance) P-C4' energy: -10.132
flat angles C4'-P-C4' energy: -9.370
flat angles P-C4'-P energy: -6.761
tors. eta vs tors. theta energy: -2.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -101.692852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.692852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.692852 (E_RNA)
where:
Base-Base interactions energy: -64.670
where: short stacking energy: -25.425
Base-Backbone interact. energy: -0.024
local terms energy: -36.999613
where:
bonds (distance) C4'-P energy: -6.280
bonds (distance) P-C4' energy: -9.099
flat angles C4'-P-C4' energy: -6.113
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: -7.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -67.982749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.982749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.982749 (E_RNA)
where:
Base-Base interactions energy: -29.974
where: short stacking energy: -13.972
Base-Backbone interact. energy: -0.265
local terms energy: -37.743363
where:
bonds (distance) C4'-P energy: -9.196
bonds (distance) P-C4' energy: -10.845
flat angles C4'-P-C4' energy: -9.659
flat angles P-C4'-P energy: -7.563
tors. eta vs tors. theta energy: -0.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -61.603450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.603450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.603450 (E_RNA)
where:
Base-Base interactions energy: -27.536
where: short stacking energy: -6.311
Base-Backbone interact. energy: -0.139
local terms energy: -33.928858
where:
bonds (distance) C4'-P energy: -12.453
bonds (distance) P-C4' energy: -9.639
flat angles C4'-P-C4' energy: -7.263
flat angles P-C4'-P energy: -3.442
tors. eta vs tors. theta energy: -1.132
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: 9
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -56.003614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.003614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.003614 (E_RNA)
where:
Base-Base interactions energy: -12.263
where: short stacking energy: -12.263
Base-Backbone interact. energy: -0.129
local terms energy: -43.611412
where:
bonds (distance) C4'-P energy: -8.527
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -11.512
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -2.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -153.488659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.488659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.488659 (E_RNA)
where:
Base-Base interactions energy: -103.657
where: short stacking energy: -30.811
Base-Backbone interact. energy: -0.238
local terms energy: -49.592901
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -10.520
flat angles C4'-P-C4' energy: -11.218
flat angles P-C4'-P energy: -6.755
tors. eta vs tors. theta energy: -8.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -157.001002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.001002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.001002 (E_RNA)
where:
Base-Base interactions energy: -102.086
where: short stacking energy: -42.399
Base-Backbone interact. energy: -0.108
local terms energy: -54.806379
where:
bonds (distance) C4'-P energy: -13.165
bonds (distance) P-C4' energy: -10.115
flat angles C4'-P-C4' energy: -12.587
flat angles P-C4'-P energy: -5.850
tors. eta vs tors. theta energy: -13.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -148.914141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.914141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.914141 (E_RNA)
where:
Base-Base interactions energy: -103.603
where: short stacking energy: -39.227
Base-Backbone interact. energy: -0.106
local terms energy: -45.204491
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -11.082
flat angles C4'-P-C4' energy: -7.495
flat angles P-C4'-P energy: -4.113
tors. eta vs tors. theta energy: -9.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -125.820726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.820726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.820726 (E_RNA)
where:
Base-Base interactions energy: -75.284
where: short stacking energy: -32.900
Base-Backbone interact. energy: -0.081
local terms energy: -50.456119
where:
bonds (distance) C4'-P energy: -13.314
bonds (distance) P-C4' energy: -12.138
flat angles C4'-P-C4' energy: -8.793
flat angles P-C4'-P energy: -7.742
tors. eta vs tors. theta energy: -8.469
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: 2
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -131.829474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.829474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.829474 (E_RNA)
where:
Base-Base interactions energy: -81.708
where: short stacking energy: -34.368
Base-Backbone interact. energy: -0.004
local terms energy: -50.116931
where:
bonds (distance) C4'-P energy: -11.008
bonds (distance) P-C4' energy: -10.808
flat angles C4'-P-C4' energy: -9.845
flat angles P-C4'-P energy: -7.084
tors. eta vs tors. theta energy: -11.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -110.005616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.005616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.005616 (E_RNA)
where:
Base-Base interactions energy: -64.774
where: short stacking energy: -32.891
Base-Backbone interact. energy: -0.040
local terms energy: -45.191962
where:
bonds (distance) C4'-P energy: -8.479
bonds (distance) P-C4' energy: -11.942
flat angles C4'-P-C4' energy: -11.326
flat angles P-C4'-P energy: -3.721
tors. eta vs tors. theta energy: -9.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -66.169947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.169947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.169947 (E_RNA)
where:
Base-Base interactions energy: -21.658
where: short stacking energy: -18.689
Base-Backbone interact. energy: -0.079
local terms energy: -44.432772
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -6.818
flat angles P-C4'-P energy: -8.979
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: 8
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -60.735056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.735056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.735056 (E_RNA)
where:
Base-Base interactions energy: -22.590
where: short stacking energy: -10.727
Base-Backbone interact. energy: 0.578
local terms energy: -38.722770
where:
bonds (distance) C4'-P energy: -11.203
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -10.127
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: 0.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -55.653374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.653374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.653374 (E_RNA)
where:
Base-Base interactions energy: -13.022
where: short stacking energy: -13.022
Base-Backbone interact. energy: -0.134
local terms energy: -42.496611
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -8.337
flat angles P-C4'-P energy: -7.251
tors. eta vs tors. theta energy: -3.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -61.268647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.268647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.268647 (E_RNA)
where:
Base-Base interactions energy: -20.368
where: short stacking energy: -20.368
Base-Backbone interact. energy: -0.012
local terms energy: -40.888072
where:
bonds (distance) C4'-P energy: -4.736
bonds (distance) P-C4' energy: -11.228
flat angles C4'-P-C4' energy: -9.482
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -4.853
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: 7
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -153.350247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.350247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.350247 (E_RNA)
where:
Base-Base interactions energy: -98.496
where: short stacking energy: -33.891
Base-Backbone interact. energy: -0.091
local terms energy: -54.762902
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -12.163
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -6.971
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: 2, replica: 5
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -162.701968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.701968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.701968 (E_RNA)
where:
Base-Base interactions energy: -112.756
where: short stacking energy: -35.198
Base-Backbone interact. energy: 0.303
local terms energy: -50.249238
where:
bonds (distance) C4'-P energy: -9.427
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -8.347
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -11.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -142.949096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.949096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.949096 (E_RNA)
where:
Base-Base interactions energy: -86.149
where: short stacking energy: -39.463
Base-Backbone interact. energy: -0.003
local terms energy: -56.796933
where:
bonds (distance) C4'-P energy: -12.651
bonds (distance) P-C4' energy: -12.935
flat angles C4'-P-C4' energy: -11.375
flat angles P-C4'-P energy: -7.090
tors. eta vs tors. theta energy: -12.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -130.854879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.854879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.854879 (E_RNA)
where:
Base-Base interactions energy: -81.164
where: short stacking energy: -35.444
Base-Backbone interact. energy: 1.287
local terms energy: -50.977964
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -11.638
flat angles P-C4'-P energy: -3.484
tors. eta vs tors. theta energy: -11.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -99.262335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.262335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.262335 (E_RNA)
where:
Base-Base interactions energy: -50.766
where: short stacking energy: -18.664
Base-Backbone interact. energy: -1.084
local terms energy: -47.412584
where:
bonds (distance) C4'-P energy: -8.389
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -9.017
flat angles P-C4'-P energy: -8.642
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: 6, replica: 2
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -121.462452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.462452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.462452 (E_RNA)
where:
Base-Base interactions energy: -79.019
where: short stacking energy: -21.948
Base-Backbone interact. energy: -0.018
local terms energy: -42.424679
where:
bonds (distance) C4'-P energy: -11.054
bonds (distance) P-C4' energy: -9.407
flat angles C4'-P-C4' energy: -10.086
flat angles P-C4'-P energy: -6.275
tors. eta vs tors. theta energy: -5.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -76.419924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.419924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.419924 (E_RNA)
where:
Base-Base interactions energy: -29.170
where: short stacking energy: -13.481
Base-Backbone interact. energy: -0.209
local terms energy: -47.040673
where:
bonds (distance) C4'-P energy: -9.978
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -11.161
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -4.236
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: 8, replica: 3
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -68.148112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.148112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.148112 (E_RNA)
where:
Base-Base interactions energy: -24.317
where: short stacking energy: -15.859
Base-Backbone interact. energy: -0.364
local terms energy: -43.467098
where:
bonds (distance) C4'-P energy: -10.735
bonds (distance) P-C4' energy: -11.589
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -6.722
tors. eta vs tors. theta energy: -1.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -55.938937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.938937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.938937 (E_RNA)
where:
Base-Base interactions energy: -25.227
where: short stacking energy: -19.651
Base-Backbone interact. energy: -0.234
local terms energy: -30.477579
where:
bonds (distance) C4'-P energy: -9.708
bonds (distance) P-C4' energy: -10.570
flat angles C4'-P-C4' energy: -8.893
flat angles P-C4'-P energy: -3.587
tors. eta vs tors. theta energy: 2.281
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: 10, replica: 1
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -55.837799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.837799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.837799 (E_RNA)
where:
Base-Base interactions energy: -16.651
where: short stacking energy: -17.151
Base-Backbone interact. energy: -0.080
local terms energy: -39.106959
where:
bonds (distance) C4'-P energy: -8.743
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -8.499
flat angles P-C4'-P energy: -1.333
tors. eta vs tors. theta energy: -6.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -147.674412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.674412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.674412 (E_RNA)
where:
Base-Base interactions energy: -90.192
where: short stacking energy: -44.704
Base-Backbone interact. energy: -0.000
local terms energy: -57.481998
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -10.169
flat angles C4'-P-C4' energy: -10.043
flat angles P-C4'-P energy: -9.106
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: 2, replica: 5
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -153.077295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.077295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.077295 (E_RNA)
where:
Base-Base interactions energy: -98.283
where: short stacking energy: -34.043
Base-Backbone interact. energy: -0.015
local terms energy: -54.779193
where:
bonds (distance) C4'-P energy: -12.776
bonds (distance) P-C4' energy: -11.380
flat angles C4'-P-C4' energy: -10.995
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -11.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -139.521015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.521015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.521015 (E_RNA)
where:
Base-Base interactions energy: -86.341
where: short stacking energy: -30.798
Base-Backbone interact. energy: -0.102
local terms energy: -53.078409
where:
bonds (distance) C4'-P energy: -12.763
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -10.507
flat angles P-C4'-P energy: -6.276
tors. eta vs tors. theta energy: -10.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -139.315522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.315522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.315522 (E_RNA)
where:
Base-Base interactions energy: -82.767
where: short stacking energy: -38.462
Base-Backbone interact. energy: -0.002
local terms energy: -56.547099
where:
bonds (distance) C4'-P energy: -11.285
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -7.593
tors. eta vs tors. theta energy: -10.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -132.944035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.944035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.944035 (E_RNA)
where:
Base-Base interactions energy: -86.668
where: short stacking energy: -34.411
Base-Backbone interact. energy: -0.000
local terms energy: -46.276131
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -9.561
flat angles P-C4'-P energy: -1.887
tors. eta vs tors. theta energy: -8.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -72.503351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.503351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.503351 (E_RNA)
where:
Base-Base interactions energy: -38.120
where: short stacking energy: -19.311
Base-Backbone interact. energy: -0.303
local terms energy: -34.080323
where:
bonds (distance) C4'-P energy: -10.128
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -7.503
flat angles P-C4'-P energy: -6.347
tors. eta vs tors. theta energy: 4.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -112.999052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.999052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.999052 (E_RNA)
where:
Base-Base interactions energy: -68.673
where: short stacking energy: -28.196
Base-Backbone interact. energy: -0.211
local terms energy: -44.115645
where:
bonds (distance) C4'-P energy: -10.325
bonds (distance) P-C4' energy: -10.697
flat angles C4'-P-C4' energy: -10.612
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -4.698
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: 3
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -55.425835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.425835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.425835 (E_RNA)
where:
Base-Base interactions energy: -17.205
where: short stacking energy: -17.205
Base-Backbone interact. energy: -0.072
local terms energy: -38.149175
where:
bonds (distance) C4'-P energy: -11.161
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -4.344
flat angles P-C4'-P energy: -5.249
tors. eta vs tors. theta energy: -3.206
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: 9, replica: 9
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -75.423618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.423618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.423618 (E_RNA)
where:
Base-Base interactions energy: -36.030
where: short stacking energy: -18.446
Base-Backbone interact. energy: -0.102
local terms energy: -39.291049
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -9.246
flat angles C4'-P-C4' energy: -3.609
flat angles P-C4'-P energy: -9.201
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: 10, replica: 1
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -65.411566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.411566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.411566 (E_RNA)
where:
Base-Base interactions energy: -31.159
where: short stacking energy: -19.429
Base-Backbone interact. energy: -0.101
local terms energy: -34.152160
where:
bonds (distance) C4'-P energy: -8.072
bonds (distance) P-C4' energy: -9.361
flat angles C4'-P-C4' energy: -7.054
flat angles P-C4'-P energy: -6.161
tors. eta vs tors. theta energy: -3.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -160.210019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.210019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.210019 (E_RNA)
where:
Base-Base interactions energy: -104.680
where: short stacking energy: -45.343
Base-Backbone interact. energy: 0.216
local terms energy: -55.745937
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -11.277
flat angles P-C4'-P energy: -8.004
tors. eta vs tors. theta energy: -10.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -145.397151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.397151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.397151 (E_RNA)
where:
Base-Base interactions energy: -89.959
where: short stacking energy: -47.593
Base-Backbone interact. energy: -0.002
local terms energy: -55.435821
where:
bonds (distance) C4'-P energy: -11.923
bonds (distance) P-C4' energy: -12.295
flat angles C4'-P-C4' energy: -11.360
flat angles P-C4'-P energy: -4.297
tors. eta vs tors. theta energy: -15.562
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: 10
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -148.479599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.479599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.479599 (E_RNA)
where:
Base-Base interactions energy: -97.254
where: short stacking energy: -42.940
Base-Backbone interact. energy: -0.009
local terms energy: -51.217127
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -9.822
flat angles C4'-P-C4' energy: -9.252
flat angles P-C4'-P energy: -5.608
tors. eta vs tors. theta energy: -12.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -142.853641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.853641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.853641 (E_RNA)
where:
Base-Base interactions energy: -86.007
where: short stacking energy: -41.898
Base-Backbone interact. energy: -0.402
local terms energy: -56.444574
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -10.813
flat angles C4'-P-C4' energy: -11.082
flat angles P-C4'-P energy: -6.395
tors. eta vs tors. theta energy: -15.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -126.726369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.726369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.726369 (E_RNA)
where:
Base-Base interactions energy: -85.192
where: short stacking energy: -40.829
Base-Backbone interact. energy: -0.022
local terms energy: -41.512132
where:
bonds (distance) C4'-P energy: -10.512
bonds (distance) P-C4' energy: -6.564
flat angles C4'-P-C4' energy: -10.238
flat angles P-C4'-P energy: -3.265
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: 8
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -71.504191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.504191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.504191 (E_RNA)
where:
Base-Base interactions energy: -30.679
where: short stacking energy: -28.698
Base-Backbone interact. energy: -0.100
local terms energy: -40.725098
where:
bonds (distance) C4'-P energy: -9.459
bonds (distance) P-C4' energy: -8.470
flat angles C4'-P-C4' energy: -11.233
flat angles P-C4'-P energy: -4.718
tors. eta vs tors. theta energy: -6.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -64.219654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.219654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.219654 (E_RNA)
where:
Base-Base interactions energy: -18.823
where: short stacking energy: -18.823
Base-Backbone interact. energy: -0.020
local terms energy: -45.376305
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -10.285
flat angles P-C4'-P energy: -7.132
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: 8, replica: 2
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -70.323209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.323209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.323209 (E_RNA)
where:
Base-Base interactions energy: -36.605
where: short stacking energy: -14.988
Base-Backbone interact. energy: -0.405
local terms energy: -33.313107
where:
bonds (distance) C4'-P energy: -9.333
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -5.300
flat angles P-C4'-P energy: -5.525
tors. eta vs tors. theta energy: -0.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -58.533805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.533805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.533805 (E_RNA)
where:
Base-Base interactions energy: -22.500
where: short stacking energy: -11.927
Base-Backbone interact. energy: -0.075
local terms energy: -35.959218
where:
bonds (distance) C4'-P energy: -9.977
bonds (distance) P-C4' energy: -7.510
flat angles C4'-P-C4' energy: -10.568
flat angles P-C4'-P energy: -4.018
tors. eta vs tors. theta energy: -3.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -56.744044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.744044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.744044 (E_RNA)
where:
Base-Base interactions energy: -22.807
where: short stacking energy: -22.907
Base-Backbone interact. energy: -0.159
local terms energy: -33.778232
where:
bonds (distance) C4'-P energy: -2.832
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -8.473
flat angles P-C4'-P energy: -4.163
tors. eta vs tors. theta energy: -6.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -154.506658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.506658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.506658 (E_RNA)
where:
Base-Base interactions energy: -99.198
where: short stacking energy: -49.684
Base-Backbone interact. energy: -0.095
local terms energy: -55.213631
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -9.176
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -5.839
tors. eta vs tors. theta energy: -16.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -149.193673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.193673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.193673 (E_RNA)
where:
Base-Base interactions energy: -100.598
where: short stacking energy: -39.434
Base-Backbone interact. energy: -0.129
local terms energy: -48.466167
where:
bonds (distance) C4'-P energy: -13.848
bonds (distance) P-C4' energy: -9.272
flat angles C4'-P-C4' energy: -7.619
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -8.752
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: 7
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -143.560018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.560018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.560018 (E_RNA)
where:
Base-Base interactions energy: -89.818
where: short stacking energy: -44.499
Base-Backbone interact. energy: -0.615
local terms energy: -53.126445
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -8.586
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -11.994
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: 4, replica: 6
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -124.213181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.213181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.213181 (E_RNA)
where:
Base-Base interactions energy: -84.564
where: short stacking energy: -31.917
Base-Backbone interact. energy: -0.033
local terms energy: -39.615489
where:
bonds (distance) C4'-P energy: -10.917
bonds (distance) P-C4' energy: -9.225
flat angles C4'-P-C4' energy: -11.441
flat angles P-C4'-P energy: -5.081
tors. eta vs tors. theta energy: -2.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -133.557466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.557466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.557466 (E_RNA)
where:
Base-Base interactions energy: -82.363
where: short stacking energy: -35.837
Base-Backbone interact. energy: -0.002
local terms energy: -51.192800
where:
bonds (distance) C4'-P energy: -8.960
bonds (distance) P-C4' energy: -10.003
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -6.583
tors. eta vs tors. theta energy: -12.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -77.866632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.866632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.866632 (E_RNA)
where:
Base-Base interactions energy: -32.992
where: short stacking energy: -32.318
Base-Backbone interact. energy: -0.054
local terms energy: -44.820300
where:
bonds (distance) C4'-P energy: -9.642
bonds (distance) P-C4' energy: -9.510
flat angles C4'-P-C4' energy: -10.273
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: -6.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -72.848134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.848134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.848134 (E_RNA)
where:
Base-Base interactions energy: -33.399
where: short stacking energy: -20.042
Base-Backbone interact. energy: -0.203
local terms energy: -39.245795
where:
bonds (distance) C4'-P energy: -7.750
bonds (distance) P-C4' energy: -11.504
flat angles C4'-P-C4' energy: -11.389
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: -2.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -71.781269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.781269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.781269 (E_RNA)
where:
Base-Base interactions energy: -25.197
where: short stacking energy: -21.947
Base-Backbone interact. energy: -0.163
local terms energy: -46.420817
where:
bonds (distance) C4'-P energy: -9.874
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -3.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -60.045679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.045679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.045679 (E_RNA)
where:
Base-Base interactions energy: -21.208
where: short stacking energy: -21.208
Base-Backbone interact. energy: 0.452
local terms energy: -39.289207
where:
bonds (distance) C4'-P energy: -10.052
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -9.236
flat angles P-C4'-P energy: -4.236
tors. eta vs tors. theta energy: -2.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -82.243360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.243360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.243360 (E_RNA)
where:
Base-Base interactions energy: -47.063
where: short stacking energy: -17.166
Base-Backbone interact. energy: -0.185
local terms energy: -34.995479
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -10.728
flat angles C4'-P-C4' energy: -8.316
flat angles P-C4'-P energy: -2.682
tors. eta vs tors. theta energy: -1.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -147.186083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.186083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.186083 (E_RNA)
where:
Base-Base interactions energy: -97.299
where: short stacking energy: -41.447
Base-Backbone interact. energy: -0.190
local terms energy: -49.697098
where:
bonds (distance) C4'-P energy: -10.785
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -11.974
flat angles P-C4'-P energy: -5.225
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: 2, replica: 10
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -153.166018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.166018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.166018 (E_RNA)
where:
Base-Base interactions energy: -103.750
where: short stacking energy: -31.633
Base-Backbone interact. energy: -0.100
local terms energy: -49.315502
where:
bonds (distance) C4'-P energy: -10.623
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -7.662
flat angles P-C4'-P energy: -6.630
tors. eta vs tors. theta energy: -9.953
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: 7
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -152.803961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.803961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.803961 (E_RNA)
where:
Base-Base interactions energy: -102.948
where: short stacking energy: -37.174
Base-Backbone interact. energy: -0.040
local terms energy: -49.815646
where:
bonds (distance) C4'-P energy: -12.134
bonds (distance) P-C4' energy: -10.588
flat angles C4'-P-C4' energy: -11.420
flat angles P-C4'-P energy: -5.058
tors. eta vs tors. theta energy: -10.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -134.028816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.028816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.028816 (E_RNA)
where:
Base-Base interactions energy: -87.444
where: short stacking energy: -32.245
Base-Backbone interact. energy: -0.104
local terms energy: -46.480594
where:
bonds (distance) C4'-P energy: -7.588
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -8.695
flat angles P-C4'-P energy: -6.413
tors. eta vs tors. theta energy: -11.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -131.582067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.582067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.582067 (E_RNA)
where:
Base-Base interactions energy: -78.498
where: short stacking energy: -32.514
Base-Backbone interact. energy: -0.041
local terms energy: -53.043195
where:
bonds (distance) C4'-P energy: -11.609
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -10.358
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -7.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -69.309240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.309240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.309240 (E_RNA)
where:
Base-Base interactions energy: -26.936
where: short stacking energy: -25.614
Base-Backbone interact. energy: -0.001
local terms energy: -42.372102
where:
bonds (distance) C4'-P energy: -10.374
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -6.901
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: -5.799
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: 2
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -77.635457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.635457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.635457 (E_RNA)
where:
Base-Base interactions energy: -40.321
where: short stacking energy: -17.201
Base-Backbone interact. energy: -0.122
local terms energy: -37.192626
where:
bonds (distance) C4'-P energy: -5.937
bonds (distance) P-C4' energy: -14.140
flat angles C4'-P-C4' energy: -9.501
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: 0.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -57.062062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.062062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.062062 (E_RNA)
where:
Base-Base interactions energy: -19.605
where: short stacking energy: -7.072
Base-Backbone interact. energy: -0.105
local terms energy: -37.351908
where:
bonds (distance) C4'-P energy: -9.712
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -9.737
flat angles P-C4'-P energy: -5.710
tors. eta vs tors. theta energy: 1.473
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: 1
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -57.274063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.274063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.274063 (E_RNA)
where:
Base-Base interactions energy: -29.250
where: short stacking energy: -16.901
Base-Backbone interact. energy: -0.277
local terms energy: -27.746895
where:
bonds (distance) C4'-P energy: -4.801
bonds (distance) P-C4' energy: -5.234
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -5.430
tors. eta vs tors. theta energy: -0.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -79.838502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.838502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.838502 (E_RNA)
where:
Base-Base interactions energy: -32.364
where: short stacking energy: -21.753
Base-Backbone interact. energy: -0.136
local terms energy: -47.338582
where:
bonds (distance) C4'-P energy: -7.071
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -11.047
flat angles P-C4'-P energy: -9.166
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: 1, replica: 5
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -152.550233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.550233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.550233 (E_RNA)
where:
Base-Base interactions energy: -91.490
where: short stacking energy: -35.042
Base-Backbone interact. energy: -1.111
local terms energy: -59.949307
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -9.688
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: 335
Temperature: 0.950000
Total energy: -155.768225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.768225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.768225 (E_RNA)
where:
Base-Base interactions energy: -104.558
where: short stacking energy: -34.597
Base-Backbone interact. energy: 0.404
local terms energy: -51.613695
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -9.768
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -10.096
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: 3, replica: 7
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -145.675751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.675751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.675751 (E_RNA)
where:
Base-Base interactions energy: -97.974
where: short stacking energy: -42.496
Base-Backbone interact. energy: -0.027
local terms energy: -47.674358
where:
bonds (distance) C4'-P energy: -10.789
bonds (distance) P-C4' energy: -8.096
flat angles C4'-P-C4' energy: -11.042
flat angles P-C4'-P energy: -8.512
tors. eta vs tors. theta energy: -9.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -136.515051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.515051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.515051 (E_RNA)
where:
Base-Base interactions energy: -80.376
where: short stacking energy: -41.658
Base-Backbone interact. energy: -0.072
local terms energy: -56.066361
where:
bonds (distance) C4'-P energy: -9.932
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -11.664
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -11.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -126.011554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.011554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.011554 (E_RNA)
where:
Base-Base interactions energy: -75.956
where: short stacking energy: -31.628
Base-Backbone interact. energy: -0.112
local terms energy: -49.944066
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -6.055
tors. eta vs tors. theta energy: -8.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -79.786783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.786783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.786783 (E_RNA)
where:
Base-Base interactions energy: -34.477
where: short stacking energy: -23.028
Base-Backbone interact. energy: -0.351
local terms energy: -44.959223
where:
bonds (distance) C4'-P energy: -6.930
bonds (distance) P-C4' energy: -13.618
flat angles C4'-P-C4' energy: -9.507
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -5.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -73.963947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.963947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.963947 (E_RNA)
where:
Base-Base interactions energy: -29.050
where: short stacking energy: -25.045
Base-Backbone interact. energy: -0.164
local terms energy: -44.749755
where:
bonds (distance) C4'-P energy: -12.209
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -11.411
flat angles P-C4'-P energy: -4.737
tors. eta vs tors. theta energy: -4.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -68.030304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.030304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.030304 (E_RNA)
where:
Base-Base interactions energy: -30.507
where: short stacking energy: -20.105
Base-Backbone interact. energy: -0.137
local terms energy: -37.386505
where:
bonds (distance) C4'-P energy: -10.446
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -5.302
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: 9, replica: 3
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -59.180843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.180843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.180843 (E_RNA)
where:
Base-Base interactions energy: -22.213
where: short stacking energy: -22.213
Base-Backbone interact. energy: -0.049
local terms energy: -36.918069
where:
bonds (distance) C4'-P energy: -10.892
bonds (distance) P-C4' energy: -9.113
flat angles C4'-P-C4' energy: -7.662
flat angles P-C4'-P energy: -6.115
tors. eta vs tors. theta energy: -3.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -58.877595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.877595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.877595 (E_RNA)
where:
Base-Base interactions energy: -20.059
where: short stacking energy: -18.968
Base-Backbone interact. energy: -0.100
local terms energy: -38.718488
where:
bonds (distance) C4'-P energy: -12.002
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -5.707
flat angles P-C4'-P energy: -2.720
tors. eta vs tors. theta energy: -5.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -155.725701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.725701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.725701 (E_RNA)
where:
Base-Base interactions energy: -105.440
where: short stacking energy: -36.018
Base-Backbone interact. energy: -0.051
local terms energy: -50.234777
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -9.915
flat angles C4'-P-C4' energy: -11.645
flat angles P-C4'-P energy: -4.834
tors. eta vs tors. theta energy: -10.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -146.671285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.671285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.671285 (E_RNA)
where:
Base-Base interactions energy: -85.914
where: short stacking energy: -37.198
Base-Backbone interact. energy: -0.011
local terms energy: -60.746272
where:
bonds (distance) C4'-P energy: -9.229
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -14.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -143.322717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.322717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.322717 (E_RNA)
where:
Base-Base interactions energy: -94.973
where: short stacking energy: -29.172
Base-Backbone interact. energy: 0.823
local terms energy: -49.172787
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -9.903
flat angles C4'-P-C4' energy: -9.870
flat angles P-C4'-P energy: -6.880
tors. eta vs tors. theta energy: -8.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -146.961510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.961510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.961510 (E_RNA)
where:
Base-Base interactions energy: -99.737
where: short stacking energy: -30.978
Base-Backbone interact. energy: -0.108
local terms energy: -47.116047
where:
bonds (distance) C4'-P energy: -10.705
bonds (distance) P-C4' energy: -11.416
flat angles C4'-P-C4' energy: -11.105
flat angles P-C4'-P energy: -2.864
tors. eta vs tors. theta energy: -11.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -131.477787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.477787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.477787 (E_RNA)
where:
Base-Base interactions energy: -78.576
where: short stacking energy: -34.094
Base-Backbone interact. energy: -1.117
local terms energy: -51.785408
where:
bonds (distance) C4'-P energy: -9.604
bonds (distance) P-C4' energy: -11.356
flat angles C4'-P-C4' energy: -10.853
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -10.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -73.520530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.520530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.520530 (E_RNA)
where:
Base-Base interactions energy: -37.475
where: short stacking energy: -22.143
Base-Backbone interact. energy: -0.108
local terms energy: -35.937745
where:
bonds (distance) C4'-P energy: -8.495
bonds (distance) P-C4' energy: -10.893
flat angles C4'-P-C4' energy: -7.904
flat angles P-C4'-P energy: -5.173
tors. eta vs tors. theta energy: -3.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -73.013619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.013619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.013619 (E_RNA)
where:
Base-Base interactions energy: -24.858
where: short stacking energy: -20.913
Base-Backbone interact. energy: -0.001
local terms energy: -48.154612
where:
bonds (distance) C4'-P energy: -10.359
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -9.761
flat angles P-C4'-P energy: -7.110
tors. eta vs tors. theta energy: -7.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -67.576370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.576370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.576370 (E_RNA)
where:
Base-Base interactions energy: -35.873
where: short stacking energy: -23.213
Base-Backbone interact. energy: -0.210
local terms energy: -31.492825
where:
bonds (distance) C4'-P energy: -8.524
bonds (distance) P-C4' energy: -6.563
flat angles C4'-P-C4' energy: -4.435
flat angles P-C4'-P energy: -5.672
tors. eta vs tors. theta energy: -6.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -59.073479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.073479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.073479 (E_RNA)
where:
Base-Base interactions energy: -25.754
where: short stacking energy: -20.686
Base-Backbone interact. energy: -0.036
local terms energy: -33.284057
where:
bonds (distance) C4'-P energy: -5.000
bonds (distance) P-C4' energy: -10.219
flat angles C4'-P-C4' energy: -10.317
flat angles P-C4'-P energy: -5.920
tors. eta vs tors. theta energy: -1.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -59.207232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.207232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.207232 (E_RNA)
where:
Base-Base interactions energy: -29.420
where: short stacking energy: -20.376
Base-Backbone interact. energy: 1.874
local terms energy: -31.660586
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -7.439
flat angles C4'-P-C4' energy: -4.210
flat angles P-C4'-P energy: -11.097
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: 5
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -163.581922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.581922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.581922 (E_RNA)
where:
Base-Base interactions energy: -114.215
where: short stacking energy: -41.139
Base-Backbone interact. energy: -0.085
local terms energy: -49.281221
where:
bonds (distance) C4'-P energy: -9.973
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -8.456
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: -11.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -156.261378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.261378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.261378 (E_RNA)
where:
Base-Base interactions energy: -100.609
where: short stacking energy: -36.718
Base-Backbone interact. energy: -0.111
local terms energy: -55.540996
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -10.186
flat angles P-C4'-P energy: -6.245
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: 3, replica: 10
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -146.988966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.988966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.988966 (E_RNA)
where:
Base-Base interactions energy: -93.200
where: short stacking energy: -27.647
Base-Backbone interact. energy: 0.566
local terms energy: -54.354734
where:
bonds (distance) C4'-P energy: -14.510
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -10.913
flat angles P-C4'-P energy: -7.187
tors. eta vs tors. theta energy: -8.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -131.382326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.382326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.382326 (E_RNA)
where:
Base-Base interactions energy: -82.209
where: short stacking energy: -33.449
Base-Backbone interact. energy: -0.005
local terms energy: -49.168011
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -9.579
flat angles C4'-P-C4' energy: -8.396
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -9.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -137.482949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.482949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.482949 (E_RNA)
where:
Base-Base interactions energy: -86.675
where: short stacking energy: -34.620
Base-Backbone interact. energy: -0.007
local terms energy: -50.800196
where:
bonds (distance) C4'-P energy: -8.951
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -11.861
flat angles P-C4'-P energy: -4.199
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: 6, replica: 1
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -74.410065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.410065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.410065 (E_RNA)
where:
Base-Base interactions energy: -29.928
where: short stacking energy: -25.651
Base-Backbone interact. energy: -0.105
local terms energy: -44.377416
where:
bonds (distance) C4'-P energy: -7.901
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -7.885
flat angles P-C4'-P energy: -6.352
tors. eta vs tors. theta energy: -7.568
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: 7, replica: 8
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -74.389530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.389530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.389530 (E_RNA)
where:
Base-Base interactions energy: -23.666
where: short stacking energy: -23.666
Base-Backbone interact. energy: -0.007
local terms energy: -50.716343
where:
bonds (distance) C4'-P energy: -9.211
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -9.063
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -10.167
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: 9
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -64.368725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.368725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.368725 (E_RNA)
where:
Base-Base interactions energy: -20.106
where: short stacking energy: -15.915
Base-Backbone interact. energy: -0.139
local terms energy: -44.123948
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -9.620
flat angles C4'-P-C4' energy: -10.741
flat angles P-C4'-P energy: -6.537
tors. eta vs tors. theta energy: -4.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -57.535084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.535084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.535084 (E_RNA)
where:
Base-Base interactions energy: -16.716
where: short stacking energy: -10.710
Base-Backbone interact. energy: -1.388
local terms energy: -39.431289
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -10.373
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -2.750
tors. eta vs tors. theta energy: -0.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -54.467560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.467560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.467560 (E_RNA)
where:
Base-Base interactions energy: -18.257
where: short stacking energy: -18.257
Base-Backbone interact. energy: 0.266
local terms energy: -36.476431
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -12.545
flat angles C4'-P-C4' energy: -4.399
flat angles P-C4'-P energy: -5.512
tors. eta vs tors. theta energy: -1.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -160.956163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.956163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.956163 (E_RNA)
where:
Base-Base interactions energy: -111.068
where: short stacking energy: -40.989
Base-Backbone interact. energy: -0.122
local terms energy: -49.766521
where:
bonds (distance) C4'-P energy: -10.363
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -8.966
flat angles P-C4'-P energy: -3.884
tors. eta vs tors. theta energy: -12.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -138.111797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.111797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.111797 (E_RNA)
where:
Base-Base interactions energy: -83.815
where: short stacking energy: -32.912
Base-Backbone interact. energy: -0.015
local terms energy: -54.281411
where:
bonds (distance) C4'-P energy: -12.926
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -10.748
flat angles P-C4'-P energy: -5.882
tors. eta vs tors. theta energy: -10.699
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: 10
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -147.492499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.492499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.492499 (E_RNA)
where:
Base-Base interactions energy: -92.053
where: short stacking energy: -31.102
Base-Backbone interact. energy: -0.869
local terms energy: -54.570761
where:
bonds (distance) C4'-P energy: -11.046
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -11.548
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -11.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -124.276174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.276174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.276174 (E_RNA)
where:
Base-Base interactions energy: -69.180
where: short stacking energy: -24.179
Base-Backbone interact. energy: -0.050
local terms energy: -55.045574
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -12.556
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -9.195
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: 5, replica: 7
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -130.037980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.037980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.037980 (E_RNA)
where:
Base-Base interactions energy: -78.301
where: short stacking energy: -33.188
Base-Backbone interact. energy: -0.004
local terms energy: -51.732700
where:
bonds (distance) C4'-P energy: -10.706
bonds (distance) P-C4' energy: -11.284
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -5.384
tors. eta vs tors. theta energy: -10.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -79.423669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.423669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.423669 (E_RNA)
where:
Base-Base interactions energy: -43.028
where: short stacking energy: -28.985
Base-Backbone interact. energy: -0.020
local terms energy: -36.375860
where:
bonds (distance) C4'-P energy: -10.351
bonds (distance) P-C4' energy: -5.859
flat angles C4'-P-C4' energy: -5.780
flat angles P-C4'-P energy: -6.026
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: 7, replica: 9
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -68.195215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.195215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.195215 (E_RNA)
where:
Base-Base interactions energy: -20.995
where: short stacking energy: -20.995
Base-Backbone interact. energy: -0.166
local terms energy: -47.034237
where:
bonds (distance) C4'-P energy: -12.142
bonds (distance) P-C4' energy: -9.847
flat angles C4'-P-C4' energy: -11.027
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -6.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -64.804756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.804756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.804756 (E_RNA)
where:
Base-Base interactions energy: -25.733
where: short stacking energy: -25.733
Base-Backbone interact. energy: -0.010
local terms energy: -39.061711
where:
bonds (distance) C4'-P energy: -8.268
bonds (distance) P-C4' energy: -9.524
flat angles C4'-P-C4' energy: -11.721
flat angles P-C4'-P energy: -5.880
tors. eta vs tors. theta energy: -3.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -67.749675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.749675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.749675 (E_RNA)
where:
Base-Base interactions energy: -27.579
where: short stacking energy: -19.802
Base-Backbone interact. energy: 1.214
local terms energy: -41.384987
where:
bonds (distance) C4'-P energy: -11.882
bonds (distance) P-C4' energy: -11.028
flat angles C4'-P-C4' energy: -5.176
flat angles P-C4'-P energy: -9.078
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: 10, replica: 2
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -68.006990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.006990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.006990 (E_RNA)
where:
Base-Base interactions energy: -29.445
where: short stacking energy: -18.109
Base-Backbone interact. energy: 0.076
local terms energy: -38.637694
where:
bonds (distance) C4'-P energy: -7.312
bonds (distance) P-C4' energy: -11.464
flat angles C4'-P-C4' energy: -9.434
flat angles P-C4'-P energy: -6.346
tors. eta vs tors. theta energy: -4.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -152.819027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.819027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.819027 (E_RNA)
where:
Base-Base interactions energy: -92.982
where: short stacking energy: -36.957
Base-Backbone interact. energy: -0.158
local terms energy: -59.678830
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -11.477
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -11.220
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: 10
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -147.294822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.294822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.294822 (E_RNA)
where:
Base-Base interactions energy: -96.496
where: short stacking energy: -40.646
Base-Backbone interact. energy: -0.015
local terms energy: -50.784350
where:
bonds (distance) C4'-P energy: -9.141
bonds (distance) P-C4' energy: -11.470
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -2.614
tors. eta vs tors. theta energy: -13.157
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: 3, replica: 4
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -136.923203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.923203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.923203 (E_RNA)
where:
Base-Base interactions energy: -89.197
where: short stacking energy: -33.933
Base-Backbone interact. energy: -0.113
local terms energy: -47.613905
where:
bonds (distance) C4'-P energy: -6.674
bonds (distance) P-C4' energy: -10.692
flat angles C4'-P-C4' energy: -12.821
flat angles P-C4'-P energy: -5.417
tors. eta vs tors. theta energy: -12.010
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: 7
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -127.257828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.257828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.257828 (E_RNA)
where:
Base-Base interactions energy: -83.425
where: short stacking energy: -26.433
Base-Backbone interact. energy: -0.887
local terms energy: -42.945278
where:
bonds (distance) C4'-P energy: -8.446
bonds (distance) P-C4' energy: -12.262
flat angles C4'-P-C4' energy: -12.677
flat angles P-C4'-P energy: -3.886
tors. eta vs tors. theta energy: -5.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -110.743140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.743140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.743140 (E_RNA)
where:
Base-Base interactions energy: -66.110
where: short stacking energy: -23.765
Base-Backbone interact. energy: -0.218
local terms energy: -44.414521
where:
bonds (distance) C4'-P energy: -10.740
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -9.700
flat angles P-C4'-P energy: -6.195
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -89.072975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.072975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.072975 (E_RNA)
where:
Base-Base interactions energy: -46.544
where: short stacking energy: -24.636
Base-Backbone interact. energy: -0.096
local terms energy: -42.432433
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -11.736
flat angles C4'-P-C4' energy: -13.426
flat angles P-C4'-P energy: -2.728
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: 7, replica: 1
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -59.453828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.453828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.453828 (E_RNA)
where:
Base-Base interactions energy: -17.295
where: short stacking energy: -14.523
Base-Backbone interact. energy: -0.615
local terms energy: -41.543550
where:
bonds (distance) C4'-P energy: -11.414
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -9.365
flat angles P-C4'-P energy: -7.254
tors. eta vs tors. theta energy: -0.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -68.845141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.845141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.845141 (E_RNA)
where:
Base-Base interactions energy: -26.955
where: short stacking energy: -22.428
Base-Backbone interact. energy: -0.224
local terms energy: -41.666087
where:
bonds (distance) C4'-P energy: -12.002
bonds (distance) P-C4' energy: -10.731
flat angles C4'-P-C4' energy: -8.041
flat angles P-C4'-P energy: -4.794
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: 3
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -56.032885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.032885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.032885 (E_RNA)
where:
Base-Base interactions energy: -14.368
where: short stacking energy: -6.742
Base-Backbone interact. energy: -0.046
local terms energy: -41.618426
where:
bonds (distance) C4'-P energy: -10.690
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -9.656
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: 0.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -59.368383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.368383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.368383 (E_RNA)
where:
Base-Base interactions energy: -20.603
where: short stacking energy: -16.357
Base-Backbone interact. energy: 1.670
local terms energy: -40.436263
where:
bonds (distance) C4'-P energy: -11.405
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -8.775
flat angles P-C4'-P energy: -6.532
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: 10
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -152.724747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.724747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.724747 (E_RNA)
where:
Base-Base interactions energy: -105.456
where: short stacking energy: -29.851
Base-Backbone interact. energy: -0.039
local terms energy: -47.229015
where:
bonds (distance) C4'-P energy: -11.800
bonds (distance) P-C4' energy: -11.380
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -2.080
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: 2, replica: 5
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -145.878875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.878875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.878875 (E_RNA)
where:
Base-Base interactions energy: -89.413
where: short stacking energy: -40.333
Base-Backbone interact. energy: 0.452
local terms energy: -56.918243
where:
bonds (distance) C4'-P energy: -12.350
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -13.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -136.441386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.441386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.441386 (E_RNA)
where:
Base-Base interactions energy: -79.671
where: short stacking energy: -31.277
Base-Backbone interact. energy: -0.125
local terms energy: -56.645231
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -10.952
flat angles P-C4'-P energy: -4.790
tors. eta vs tors. theta energy: -12.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -139.418414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.418414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.418414 (E_RNA)
where:
Base-Base interactions energy: -96.659
where: short stacking energy: -31.931
Base-Backbone interact. energy: 0.007
local terms energy: -42.766417
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -8.458
flat angles C4'-P-C4' energy: -8.843
flat angles P-C4'-P energy: -7.628
tors. eta vs tors. theta energy: -6.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -132.449182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.449182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.449182 (E_RNA)
where:
Base-Base interactions energy: -90.192
where: short stacking energy: -24.312
Base-Backbone interact. energy: -0.407
local terms energy: -41.850171
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -11.584
flat angles C4'-P-C4' energy: -7.655
flat angles P-C4'-P energy: -5.313
tors. eta vs tors. theta energy: -4.997
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: 6, replica: 9
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -64.998817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.998817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.998817 (E_RNA)
where:
Base-Base interactions energy: -18.022
where: short stacking energy: -17.415
Base-Backbone interact. energy: -0.048
local terms energy: -46.929378
where:
bonds (distance) C4'-P energy: -10.263
bonds (distance) P-C4' energy: -10.274
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -9.061
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: 7, replica: 8
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -65.914769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.914769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.914769 (E_RNA)
where:
Base-Base interactions energy: -34.032
where: short stacking energy: -11.892
Base-Backbone interact. energy: -0.196
local terms energy: -31.687033
where:
bonds (distance) C4'-P energy: -9.782
bonds (distance) P-C4' energy: -12.653
flat angles C4'-P-C4' energy: -5.552
flat angles P-C4'-P energy: -1.737
tors. eta vs tors. theta energy: -1.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -63.166762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.166762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.166762 (E_RNA)
where:
Base-Base interactions energy: -19.658
where: short stacking energy: -16.518
Base-Backbone interact. energy: -0.001
local terms energy: -43.507770
where:
bonds (distance) C4'-P energy: -11.716
bonds (distance) P-C4' energy: -14.221
flat angles C4'-P-C4' energy: -6.396
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -0.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -61.370591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.370591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.370591 (E_RNA)
where:
Base-Base interactions energy: -20.012
where: short stacking energy: -17.816
Base-Backbone interact. energy: -0.165
local terms energy: -41.193171
where:
bonds (distance) C4'-P energy: -10.125
bonds (distance) P-C4' energy: -8.043
flat angles C4'-P-C4' energy: -12.475
flat angles P-C4'-P energy: -6.968
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: 10, replica: 3
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -63.694584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.694584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.694584 (E_RNA)
where:
Base-Base interactions energy: -21.385
where: short stacking energy: -8.825
Base-Backbone interact. energy: -0.213
local terms energy: -42.096355
where:
bonds (distance) C4'-P energy: -9.175
bonds (distance) P-C4' energy: -13.442
flat angles C4'-P-C4' energy: -7.909
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -3.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -152.986031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.986031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.986031 (E_RNA)
where:
Base-Base interactions energy: -102.203
where: short stacking energy: -38.486
Base-Backbone interact. energy: -0.287
local terms energy: -50.496304
where:
bonds (distance) C4'-P energy: -12.987
bonds (distance) P-C4' energy: -8.241
flat angles C4'-P-C4' energy: -8.469
flat angles P-C4'-P energy: -10.937
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: 2, replica: 5
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -151.134498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.134498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.134498 (E_RNA)
where:
Base-Base interactions energy: -94.974
where: short stacking energy: -34.530
Base-Backbone interact. energy: -0.109
local terms energy: -56.051848
where:
bonds (distance) C4'-P energy: -9.701
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -9.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -137.426088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.426088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.426088 (E_RNA)
where:
Base-Base interactions energy: -83.467
where: short stacking energy: -34.844
Base-Backbone interact. energy: -0.136
local terms energy: -53.823938
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -11.739
flat angles C4'-P-C4' energy: -12.045
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: -11.371
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: 4, replica: 6
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -139.832978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.832978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.832978 (E_RNA)
where:
Base-Base interactions energy: -93.585
where: short stacking energy: -30.736
Base-Backbone interact. energy: -0.106
local terms energy: -46.141413
where:
bonds (distance) C4'-P energy: -10.793
bonds (distance) P-C4' energy: -12.556
flat angles C4'-P-C4' energy: -8.416
flat angles P-C4'-P energy: -6.148
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: 4
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -132.007721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.007721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.007721 (E_RNA)
where:
Base-Base interactions energy: -78.656
where: short stacking energy: -31.461
Base-Backbone interact. energy: -0.079
local terms energy: -53.272642
where:
bonds (distance) C4'-P energy: -10.759
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -11.350
flat angles P-C4'-P energy: -5.025
tors. eta vs tors. theta energy: -14.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -90.787616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.787616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.787616 (E_RNA)
where:
Base-Base interactions energy: -49.203
where: short stacking energy: -19.224
Base-Backbone interact. energy: 0.738
local terms energy: -42.323225
where:
bonds (distance) C4'-P energy: -11.692
bonds (distance) P-C4' energy: -13.555
flat angles C4'-P-C4' energy: -11.258
flat angles P-C4'-P energy: -5.543
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: 7, replica: 9
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -83.017983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.017983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.017983 (E_RNA)
where:
Base-Base interactions energy: -43.074
where: short stacking energy: -15.449
Base-Backbone interact. energy: -0.222
local terms energy: -39.721397
where:
bonds (distance) C4'-P energy: -8.264
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -3.528
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: 8, replica: 2
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -66.050302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.050302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.050302 (E_RNA)
where:
Base-Base interactions energy: -22.909
where: short stacking energy: -17.789
Base-Backbone interact. energy: -0.144
local terms energy: -42.996561
where:
bonds (distance) C4'-P energy: -11.264
bonds (distance) P-C4' energy: -9.998
flat angles C4'-P-C4' energy: -11.517
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -1.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -60.721804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.721804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.721804 (E_RNA)
where:
Base-Base interactions energy: -21.247
where: short stacking energy: -9.004
Base-Backbone interact. energy: -0.004
local terms energy: -39.470612
where:
bonds (distance) C4'-P energy: -8.860
bonds (distance) P-C4' energy: -10.819
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -3.433
tors. eta vs tors. theta energy: -2.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -60.938445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.938445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.938445 (E_RNA)
where:
Base-Base interactions energy: -16.303
where: short stacking energy: -16.303
Base-Backbone interact. energy: -0.170
local terms energy: -44.465238
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -11.269
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: 1.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -155.236884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.236884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.236884 (E_RNA)
where:
Base-Base interactions energy: -100.036
where: short stacking energy: -35.533
Base-Backbone interact. energy: -0.205
local terms energy: -54.995984
where:
bonds (distance) C4'-P energy: -12.763
bonds (distance) P-C4' energy: -10.444
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -8.289
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: 2, replica: 10
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -153.819560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.819560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.819560 (E_RNA)
where:
Base-Base interactions energy: -103.042
where: short stacking energy: -36.485
Base-Backbone interact. energy: -0.804
local terms energy: -49.974425
where:
bonds (distance) C4'-P energy: -9.531
bonds (distance) P-C4' energy: -10.209
flat angles C4'-P-C4' energy: -11.752
flat angles P-C4'-P energy: -5.557
tors. eta vs tors. theta energy: -12.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -128.138957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.138957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.138957 (E_RNA)
where:
Base-Base interactions energy: -77.711
where: short stacking energy: -33.463
Base-Backbone interact. energy: -0.633
local terms energy: -49.794426
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -11.559
flat angles C4'-P-C4' energy: -10.243
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -7.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -133.277965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.277965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.277965 (E_RNA)
where:
Base-Base interactions energy: -83.071
where: short stacking energy: -32.488
Base-Backbone interact. energy: -0.575
local terms energy: -49.632015
where:
bonds (distance) C4'-P energy: -10.643
bonds (distance) P-C4' energy: -11.376
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -6.954
tors. eta vs tors. theta energy: -7.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -135.527418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.527418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.527418 (E_RNA)
where:
Base-Base interactions energy: -91.729
where: short stacking energy: -30.777
Base-Backbone interact. energy: -0.003
local terms energy: -43.795380
where:
bonds (distance) C4'-P energy: -11.583
bonds (distance) P-C4' energy: -9.075
flat angles C4'-P-C4' energy: -10.420
flat angles P-C4'-P energy: -5.183
tors. eta vs tors. theta energy: -7.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -85.837920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.837920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.837920 (E_RNA)
where:
Base-Base interactions energy: -42.076
where: short stacking energy: -21.506
Base-Backbone interact. energy: -1.140
local terms energy: -42.621748
where:
bonds (distance) C4'-P energy: -9.423
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -9.381
flat angles P-C4'-P energy: -4.874
tors. eta vs tors. theta energy: -5.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -60.809315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.809315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.809315 (E_RNA)
where:
Base-Base interactions energy: -22.544
where: short stacking energy: -17.564
Base-Backbone interact. energy: -0.281
local terms energy: -37.984953
where:
bonds (distance) C4'-P energy: -11.149
bonds (distance) P-C4' energy: -11.197
flat angles C4'-P-C4' energy: -8.968
flat angles P-C4'-P energy: -6.926
tors. eta vs tors. theta energy: 0.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -75.185970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.185970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.185970 (E_RNA)
where:
Base-Base interactions energy: -38.243
where: short stacking energy: -17.489
Base-Backbone interact. energy: -0.147
local terms energy: -36.796070
where:
bonds (distance) C4'-P energy: -8.450
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -10.307
flat angles P-C4'-P energy: -6.499
tors. eta vs tors. theta energy: 2.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -62.142861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.142861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.142861 (E_RNA)
where:
Base-Base interactions energy: -19.360
where: short stacking energy: -15.807
Base-Backbone interact. energy: -0.185
local terms energy: -42.597852
where:
bonds (distance) C4'-P energy: -9.513
bonds (distance) P-C4' energy: -8.781
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -2.055
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: 10, replica: 1
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -58.728271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.728271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.728271 (E_RNA)
where:
Base-Base interactions energy: -22.848
where: short stacking energy: -11.226
Base-Backbone interact. energy: 5.729
local terms energy: -41.609444
where:
bonds (distance) C4'-P energy: -8.876
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -10.787
flat angles P-C4'-P energy: -7.561
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: 5
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -155.139711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.139711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.139711 (E_RNA)
where:
Base-Base interactions energy: -103.191
where: short stacking energy: -37.101
Base-Backbone interact. energy: -0.855
local terms energy: -51.093191
where:
bonds (distance) C4'-P energy: -7.982
bonds (distance) P-C4' energy: -10.864
flat angles C4'-P-C4' energy: -12.173
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -12.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -139.573336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.573336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.573336 (E_RNA)
where:
Base-Base interactions energy: -87.087
where: short stacking energy: -29.505
Base-Backbone interact. energy: -0.224
local terms energy: -52.261641
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -11.704
flat angles P-C4'-P energy: -7.331
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: 3, replica: 10
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -142.823350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.823350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.823350 (E_RNA)
where:
Base-Base interactions energy: -93.347
where: short stacking energy: -35.953
Base-Backbone interact. energy: -0.251
local terms energy: -49.224874
where:
bonds (distance) C4'-P energy: -11.282
bonds (distance) P-C4' energy: -10.095
flat angles C4'-P-C4' energy: -11.055
flat angles P-C4'-P energy: -6.970
tors. eta vs tors. theta energy: -9.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -137.326184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.326184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.326184 (E_RNA)
where:
Base-Base interactions energy: -86.078
where: short stacking energy: -39.808
Base-Backbone interact. energy: 0.911
local terms energy: -52.158764
where:
bonds (distance) C4'-P energy: -9.252
bonds (distance) P-C4' energy: -11.479
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -10.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -136.699758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.699758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.699758 (E_RNA)
where:
Base-Base interactions energy: -87.405
where: short stacking energy: -36.765
Base-Backbone interact. energy: -0.339
local terms energy: -48.955611
where:
bonds (distance) C4'-P energy: -9.924
bonds (distance) P-C4' energy: -11.289
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -4.764
tors. eta vs tors. theta energy: -8.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -67.709230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.709230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.709230 (E_RNA)
where:
Base-Base interactions energy: -21.170
where: short stacking energy: -21.444
Base-Backbone interact. energy: -0.356
local terms energy: -46.182519
where:
bonds (distance) C4'-P energy: -9.836
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -7.851
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -5.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -68.356927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.356927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.356927 (E_RNA)
where:
Base-Base interactions energy: -18.388
where: short stacking energy: -14.197
Base-Backbone interact. energy: -0.104
local terms energy: -49.865723
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -9.270
tors. eta vs tors. theta energy: -1.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -73.094523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.094523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.094523 (E_RNA)
where:
Base-Base interactions energy: -34.787
where: short stacking energy: -19.869
Base-Backbone interact. energy: -0.394
local terms energy: -37.913727
where:
bonds (distance) C4'-P energy: -6.194
bonds (distance) P-C4' energy: -13.960
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: -3.033
tors. eta vs tors. theta energy: -2.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -57.859653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.859653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.859653 (E_RNA)
where:
Base-Base interactions energy: -18.090
where: short stacking energy: -18.090
Base-Backbone interact. energy: -0.230
local terms energy: -39.539478
where:
bonds (distance) C4'-P energy: -8.405
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -10.398
flat angles P-C4'-P energy: -6.740
tors. eta vs tors. theta energy: -1.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -55.667694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.667694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.667694 (E_RNA)
where:
Base-Base interactions energy: -23.849
where: short stacking energy: -12.276
Base-Backbone interact. energy: -0.174
local terms energy: -31.644190
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -7.923
flat angles C4'-P-C4' energy: -10.603
flat angles P-C4'-P energy: -4.259
tors. eta vs tors. theta energy: 2.770
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: 5
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -157.676995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.676995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.676995 (E_RNA)
where:
Base-Base interactions energy: -96.224
where: short stacking energy: -43.275
Base-Backbone interact. energy: -0.014
local terms energy: -61.438716
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -12.082
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -14.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -144.188169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.188169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.188169 (E_RNA)
where:
Base-Base interactions energy: -97.698
where: short stacking energy: -38.529
Base-Backbone interact. energy: -0.042
local terms energy: -46.448455
where:
bonds (distance) C4'-P energy: -8.550
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -9.760
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -7.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -141.680870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.680870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.680870 (E_RNA)
where:
Base-Base interactions energy: -92.535
where: short stacking energy: -30.741
Base-Backbone interact. energy: -0.015
local terms energy: -49.130289
where:
bonds (distance) C4'-P energy: -7.845
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -11.899
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: -8.924
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: 10
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -129.208272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.208272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.208272 (E_RNA)
where:
Base-Base interactions energy: -76.541
where: short stacking energy: -34.904
Base-Backbone interact. energy: -0.003
local terms energy: -52.664436
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -14.153
flat angles C4'-P-C4' energy: -8.953
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -6.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -140.278360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.278360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.278360 (E_RNA)
where:
Base-Base interactions energy: -88.012
where: short stacking energy: -33.639
Base-Backbone interact. energy: -0.333
local terms energy: -51.933932
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -8.853
flat angles C4'-P-C4' energy: -11.166
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -11.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -68.766944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.766944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.766944 (E_RNA)
where:
Base-Base interactions energy: -28.831
where: short stacking energy: -14.704
Base-Backbone interact. energy: 0.351
local terms energy: -40.287067
where:
bonds (distance) C4'-P energy: -9.672
bonds (distance) P-C4' energy: -12.776
flat angles C4'-P-C4' energy: -12.217
flat angles P-C4'-P energy: -7.190
tors. eta vs tors. theta energy: 1.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -73.780006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.780006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.780006 (E_RNA)
where:
Base-Base interactions energy: -27.490
where: short stacking energy: -18.970
Base-Backbone interact. energy: -0.310
local terms energy: -45.980166
where:
bonds (distance) C4'-P energy: -10.636
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -8.114
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -5.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -60.418892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.418892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.418892 (E_RNA)
where:
Base-Base interactions energy: -16.220
where: short stacking energy: -16.220
Base-Backbone interact. energy: -0.230
local terms energy: -43.969221
where:
bonds (distance) C4'-P energy: -11.568
bonds (distance) P-C4' energy: -10.658
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -6.185
tors. eta vs tors. theta energy: -2.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -70.107271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.107271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.107271 (E_RNA)
where:
Base-Base interactions energy: -27.133
where: short stacking energy: -16.188
Base-Backbone interact. energy: -0.057
local terms energy: -42.917971
where:
bonds (distance) C4'-P energy: -11.496
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -10.249
flat angles P-C4'-P energy: -7.242
tors. eta vs tors. theta energy: -1.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -51.365613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.365613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.365613 (E_RNA)
where:
Base-Base interactions energy: -11.680
where: short stacking energy: -11.680
Base-Backbone interact. energy: -0.105
local terms energy: -39.580343
where:
bonds (distance) C4'-P energy: -10.225
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -8.481
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: 0.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -157.271526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.271526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.271526 (E_RNA)
where:
Base-Base interactions energy: -101.312
where: short stacking energy: -40.728
Base-Backbone interact. energy: -0.116
local terms energy: -55.843021
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -11.506
flat angles P-C4'-P energy: -6.662
tors. eta vs tors. theta energy: -12.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -140.740428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.740428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.740428 (E_RNA)
where:
Base-Base interactions energy: -89.871
where: short stacking energy: -30.003
Base-Backbone interact. energy: -0.084
local terms energy: -50.785872
where:
bonds (distance) C4'-P energy: -11.878
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -10.473
flat angles P-C4'-P energy: -4.691
tors. eta vs tors. theta energy: -10.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -140.832776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.832776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.832776 (E_RNA)
where:
Base-Base interactions energy: -88.687
where: short stacking energy: -34.834
Base-Backbone interact. energy: -0.757
local terms energy: -51.389108
where:
bonds (distance) C4'-P energy: -9.712
bonds (distance) P-C4' energy: -10.351
flat angles C4'-P-C4' energy: -9.863
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -13.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -131.991944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.991944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.991944 (E_RNA)
where:
Base-Base interactions energy: -85.890
where: short stacking energy: -27.787
Base-Backbone interact. energy: -1.141
local terms energy: -44.960909
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -9.511
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -3.457
tors. eta vs tors. theta energy: -7.442
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: 5, replica: 10
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -136.971741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.971741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.971741 (E_RNA)
where:
Base-Base interactions energy: -80.937
where: short stacking energy: -38.031
Base-Backbone interact. energy: -0.086
local terms energy: -55.948644
where:
bonds (distance) C4'-P energy: -10.714
bonds (distance) P-C4' energy: -13.382
flat angles C4'-P-C4' energy: -10.448
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -12.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -75.811772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.811772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.811772 (E_RNA)
where:
Base-Base interactions energy: -29.523
where: short stacking energy: -22.470
Base-Backbone interact. energy: -0.088
local terms energy: -46.201365
where:
bonds (distance) C4'-P energy: -10.705
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -5.389
tors. eta vs tors. theta energy: -5.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -78.112139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.112139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.112139 (E_RNA)
where:
Base-Base interactions energy: -41.668
where: short stacking energy: -26.024
Base-Backbone interact. energy: -0.000
local terms energy: -36.444223
where:
bonds (distance) C4'-P energy: -11.828
bonds (distance) P-C4' energy: -9.172
flat angles C4'-P-C4' energy: -6.047
flat angles P-C4'-P energy: -3.158
tors. eta vs tors. theta energy: -6.239
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: 1
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -65.924900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.924900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.924900 (E_RNA)
where:
Base-Base interactions energy: -34.980
where: short stacking energy: -15.198
Base-Backbone interact. energy: -0.206
local terms energy: -30.738658
where:
bonds (distance) C4'-P energy: -5.987
bonds (distance) P-C4' energy: -7.382
flat angles C4'-P-C4' energy: -11.724
flat angles P-C4'-P energy: -6.961
tors. eta vs tors. theta energy: 1.314
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: 9
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -57.571587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.571587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.571587 (E_RNA)
where:
Base-Base interactions energy: -15.751
where: short stacking energy: -15.751
Base-Backbone interact. energy: -0.124
local terms energy: -41.697090
where:
bonds (distance) C4'-P energy: -6.400
bonds (distance) P-C4' energy: -11.074
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -7.259
tors. eta vs tors. theta energy: -4.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -55.279570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.279570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.279570 (E_RNA)
where:
Base-Base interactions energy: -25.818
where: short stacking energy: -7.319
Base-Backbone interact. energy: 0.323
local terms energy: -29.784838
where:
bonds (distance) C4'-P energy: -7.578
bonds (distance) P-C4' energy: -11.206
flat angles C4'-P-C4' energy: -10.343
flat angles P-C4'-P energy: -5.924
tors. eta vs tors. theta energy: 5.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -150.538019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.538019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.538019 (E_RNA)
where:
Base-Base interactions energy: -92.530
where: short stacking energy: -41.591
Base-Backbone interact. energy: -0.121
local terms energy: -57.887534
where:
bonds (distance) C4'-P energy: -11.389
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -4.100
tors. eta vs tors. theta energy: -14.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -145.065712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.065712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.065712 (E_RNA)
where:
Base-Base interactions energy: -93.912
where: short stacking energy: -38.314
Base-Backbone interact. energy: -0.103
local terms energy: -51.050177
where:
bonds (distance) C4'-P energy: -13.012
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -10.682
flat angles P-C4'-P energy: -6.615
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: 3, replica: 6
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -150.344543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.344543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.344543 (E_RNA)
where:
Base-Base interactions energy: -102.425
where: short stacking energy: -39.515
Base-Backbone interact. energy: -0.041
local terms energy: -47.878597
where:
bonds (distance) C4'-P energy: -8.512
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -9.651
flat angles P-C4'-P energy: -4.509
tors. eta vs tors. theta energy: -12.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -142.162359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.162359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.162359 (E_RNA)
where:
Base-Base interactions energy: -93.885
where: short stacking energy: -35.142
Base-Backbone interact. energy: -0.003
local terms energy: -48.273972
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -10.128
flat angles C4'-P-C4' energy: -12.577
flat angles P-C4'-P energy: -3.058
tors. eta vs tors. theta energy: -10.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -132.209865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.209865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.209865 (E_RNA)
where:
Base-Base interactions energy: -83.098
where: short stacking energy: -34.036
Base-Backbone interact. energy: -0.021
local terms energy: -49.090897
where:
bonds (distance) C4'-P energy: -11.459
bonds (distance) P-C4' energy: -9.603
flat angles C4'-P-C4' energy: -9.594
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -10.349
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: 8
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -86.094974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.094974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.094974 (E_RNA)
where:
Base-Base interactions energy: -46.882
where: short stacking energy: -18.262
Base-Backbone interact. energy: -0.319
local terms energy: -38.893801
where:
bonds (distance) C4'-P energy: -11.576
bonds (distance) P-C4' energy: -10.193
flat angles C4'-P-C4' energy: -10.656
flat angles P-C4'-P energy: -5.861
tors. eta vs tors. theta energy: -0.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -66.293694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.293694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.293694 (E_RNA)
where:
Base-Base interactions energy: -20.757
where: short stacking energy: -20.757
Base-Backbone interact. energy: -0.162
local terms energy: -45.374221
where:
bonds (distance) C4'-P energy: -8.114
bonds (distance) P-C4' energy: -10.751
flat angles C4'-P-C4' energy: -11.614
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -7.539
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: 2
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -66.774990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.774990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.774990 (E_RNA)
where:
Base-Base interactions energy: -31.132
where: short stacking energy: -19.640
Base-Backbone interact. energy: -0.386
local terms energy: -35.257529
where:
bonds (distance) C4'-P energy: -10.751
bonds (distance) P-C4' energy: -12.258
flat angles C4'-P-C4' energy: -9.682
flat angles P-C4'-P energy: -2.305
tors. eta vs tors. theta energy: -0.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -62.721132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.721132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.721132 (E_RNA)
where:
Base-Base interactions energy: -34.746
where: short stacking energy: -20.249
Base-Backbone interact. energy: -0.198
local terms energy: -27.776550
where:
bonds (distance) C4'-P energy: -3.403
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -9.843
flat angles P-C4'-P energy: -0.195
tors. eta vs tors. theta energy: -1.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -66.087228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.087228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.087228 (E_RNA)
where:
Base-Base interactions energy: -25.120
where: short stacking energy: -18.916
Base-Backbone interact. energy: -0.042
local terms energy: -40.925500
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -10.057
flat angles P-C4'-P energy: -3.636
tors. eta vs tors. theta energy: -1.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -154.054363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.054363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.054363 (E_RNA)
where:
Base-Base interactions energy: -98.152
where: short stacking energy: -42.365
Base-Backbone interact. energy: -0.303
local terms energy: -55.598935
where:
bonds (distance) C4'-P energy: -11.766
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -9.512
flat angles P-C4'-P energy: -6.584
tors. eta vs tors. theta energy: -13.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -152.111958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.111958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.111958 (E_RNA)
where:
Base-Base interactions energy: -93.392
where: short stacking energy: -34.297
Base-Backbone interact. energy: -0.035
local terms energy: -58.684815
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -12.709
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -11.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -148.166765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.166765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.166765 (E_RNA)
where:
Base-Base interactions energy: -97.225
where: short stacking energy: -37.261
Base-Backbone interact. energy: -0.103
local terms energy: -50.838879
where:
bonds (distance) C4'-P energy: -8.964
bonds (distance) P-C4' energy: -10.718
flat angles C4'-P-C4' energy: -12.486
flat angles P-C4'-P energy: -5.783
tors. eta vs tors. theta energy: -12.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -136.803881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.803881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.803881 (E_RNA)
where:
Base-Base interactions energy: -82.712
where: short stacking energy: -30.443
Base-Backbone interact. energy: -0.060
local terms energy: -54.031836
where:
bonds (distance) C4'-P energy: -11.749
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -9.752
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -9.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -129.652387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.652387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.652387 (E_RNA)
where:
Base-Base interactions energy: -76.143
where: short stacking energy: -32.282
Base-Backbone interact. energy: -0.062
local terms energy: -53.447564
where:
bonds (distance) C4'-P energy: -13.090
bonds (distance) P-C4' energy: -10.858
flat angles C4'-P-C4' energy: -11.384
flat angles P-C4'-P energy: -6.055
tors. eta vs tors. theta energy: -12.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -84.310031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.310031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.310031 (E_RNA)
where:
Base-Base interactions energy: -37.873
where: short stacking energy: -24.834
Base-Backbone interact. energy: -0.054
local terms energy: -46.383782
where:
bonds (distance) C4'-P energy: -11.898
bonds (distance) P-C4' energy: -10.444
flat angles C4'-P-C4' energy: -9.684
flat angles P-C4'-P energy: -7.373
tors. eta vs tors. theta energy: -6.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -58.217533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.217533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.217533 (E_RNA)
where:
Base-Base interactions energy: -25.844
where: short stacking energy: -14.995
Base-Backbone interact. energy: -0.391
local terms energy: -31.982458
where:
bonds (distance) C4'-P energy: -10.810
bonds (distance) P-C4' energy: -12.057
flat angles C4'-P-C4' energy: -6.587
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: 5.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -64.431546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.431546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.431546 (E_RNA)
where:
Base-Base interactions energy: -21.124
where: short stacking energy: -14.939
Base-Backbone interact. energy: -0.002
local terms energy: -43.306426
where:
bonds (distance) C4'-P energy: -9.419
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -9.166
flat angles P-C4'-P energy: -5.462
tors. eta vs tors. theta energy: -5.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -59.561174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.561174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.561174 (E_RNA)
where:
Base-Base interactions energy: -18.195
where: short stacking energy: -17.945
Base-Backbone interact. energy: -0.643
local terms energy: -40.723613
where:
bonds (distance) C4'-P energy: -8.829
bonds (distance) P-C4' energy: -10.474
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: -3.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -58.508578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.508578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.508578 (E_RNA)
where:
Base-Base interactions energy: -15.335
where: short stacking energy: -15.335
Base-Backbone interact. energy: -0.138
local terms energy: -43.035521
where:
bonds (distance) C4'-P energy: -10.921
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -10.993
flat angles P-C4'-P energy: -6.171
tors. eta vs tors. theta energy: -2.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -152.365592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.365592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.365592 (E_RNA)
where:
Base-Base interactions energy: -100.232
where: short stacking energy: -38.217
Base-Backbone interact. energy: -0.003
local terms energy: -52.130766
where:
bonds (distance) C4'-P energy: -11.360
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -6.769
tors. eta vs tors. theta energy: -8.500
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: 4
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -135.481022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.481022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.481022 (E_RNA)
where:
Base-Base interactions energy: -81.559
where: short stacking energy: -37.161
Base-Backbone interact. energy: -0.049
local terms energy: -53.873594
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -11.862
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -5.322
tors. eta vs tors. theta energy: -11.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -142.659101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.659101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.659101 (E_RNA)
where:
Base-Base interactions energy: -88.858
where: short stacking energy: -41.655
Base-Backbone interact. energy: -0.475
local terms energy: -53.325785
where:
bonds (distance) C4'-P energy: -10.242
bonds (distance) P-C4' energy: -10.073
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -8.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -152.071587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.071587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.071587 (E_RNA)
where:
Base-Base interactions energy: -98.243
where: short stacking energy: -37.383
Base-Backbone interact. energy: -0.001
local terms energy: -53.827573
where:
bonds (distance) C4'-P energy: -10.743
bonds (distance) P-C4' energy: -12.019
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -5.669
tors. eta vs tors. theta energy: -11.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -129.957511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.957511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.957511 (E_RNA)
where:
Base-Base interactions energy: -80.648
where: short stacking energy: -37.320
Base-Backbone interact. energy: -0.100
local terms energy: -49.209894
where:
bonds (distance) C4'-P energy: -10.184
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -9.308
flat angles P-C4'-P energy: -4.468
tors. eta vs tors. theta energy: -12.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -79.871799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.871799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.871799 (E_RNA)
where:
Base-Base interactions energy: -41.067
where: short stacking energy: -23.922
Base-Backbone interact. energy: -0.027
local terms energy: -38.777693
where:
bonds (distance) C4'-P energy: -10.689
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -8.351
flat angles P-C4'-P energy: -3.153
tors. eta vs tors. theta energy: -3.686
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: 7, replica: 3
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -66.572894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.572894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.572894 (E_RNA)
where:
Base-Base interactions energy: -22.894
where: short stacking energy: -14.546
Base-Backbone interact. energy: -0.142
local terms energy: -43.537517
where:
bonds (distance) C4'-P energy: -8.681
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -11.591
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -0.844
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: 348
Temperature: 1.250000
Total energy: -58.814608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.814608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.814608 (E_RNA)
where:
Base-Base interactions energy: -20.947
where: short stacking energy: -20.764
Base-Backbone interact. energy: -0.153
local terms energy: -37.714700
where:
bonds (distance) C4'-P energy: -8.238
bonds (distance) P-C4' energy: -11.467
flat angles C4'-P-C4' energy: -8.259
flat angles P-C4'-P energy: -4.980
tors. eta vs tors. theta energy: -4.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -54.014929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.014929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.014929 (E_RNA)
where:
Base-Base interactions energy: -13.538
where: short stacking energy: -13.538
Base-Backbone interact. energy: -0.077
local terms energy: -40.399336
where:
bonds (distance) C4'-P energy: -12.101
bonds (distance) P-C4' energy: -7.188
flat angles C4'-P-C4' energy: -10.346
flat angles P-C4'-P energy: -7.847
tors. eta vs tors. theta energy: -2.918
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: 2
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -63.456575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.456575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.456575 (E_RNA)
where:
Base-Base interactions energy: -25.936
where: short stacking energy: -17.861
Base-Backbone interact. energy: -0.193
local terms energy: -37.327767
where:
bonds (distance) C4'-P energy: -4.760
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -7.659
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -2.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -156.891557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.891557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.891557 (E_RNA)
where:
Base-Base interactions energy: -105.823
where: short stacking energy: -40.219
Base-Backbone interact. energy: -0.109
local terms energy: -50.959821
where:
bonds (distance) C4'-P energy: -10.359
bonds (distance) P-C4' energy: -10.506
flat angles C4'-P-C4' energy: -9.536
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: -13.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -150.111175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.111175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.111175 (E_RNA)
where:
Base-Base interactions energy: -97.130
where: short stacking energy: -33.737
Base-Backbone interact. energy: -0.628
local terms energy: -52.353272
where:
bonds (distance) C4'-P energy: -11.769
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -10.314
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -9.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -132.126123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.126123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.126123 (E_RNA)
where:
Base-Base interactions energy: -81.497
where: short stacking energy: -30.473
Base-Backbone interact. energy: -0.186
local terms energy: -50.443401
where:
bonds (distance) C4'-P energy: -11.070
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -11.627
flat angles P-C4'-P energy: -6.224
tors. eta vs tors. theta energy: -10.016
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: 4, replica: 7
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -143.365901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.365901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.365901 (E_RNA)
where:
Base-Base interactions energy: -98.575
where: short stacking energy: -31.297
Base-Backbone interact. energy: -0.192
local terms energy: -44.598096
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -9.288
flat angles C4'-P-C4' energy: -10.309
flat angles P-C4'-P energy: -5.094
tors. eta vs tors. theta energy: -6.878
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: 10
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -126.407256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.407256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.407256 (E_RNA)
where:
Base-Base interactions energy: -76.337
where: short stacking energy: -27.174
Base-Backbone interact. energy: -0.015
local terms energy: -50.055269
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -10.147
flat angles C4'-P-C4' energy: -11.334
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -5.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -75.367973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.367973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.367973 (E_RNA)
where:
Base-Base interactions energy: -30.998
where: short stacking energy: -13.797
Base-Backbone interact. energy: -0.059
local terms energy: -44.311264
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -8.961
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: 1.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -82.474696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.474696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.474696 (E_RNA)
where:
Base-Base interactions energy: -45.382
where: short stacking energy: -17.859
Base-Backbone interact. energy: -0.050
local terms energy: -37.043302
where:
bonds (distance) C4'-P energy: -9.738
bonds (distance) P-C4' energy: -10.185
flat angles C4'-P-C4' energy: -10.877
flat angles P-C4'-P energy: -6.640
tors. eta vs tors. theta energy: 0.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -59.867792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.867792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.867792 (E_RNA)
where:
Base-Base interactions energy: -15.056
where: short stacking energy: -15.030
Base-Backbone interact. energy: -0.118
local terms energy: -44.694392
where:
bonds (distance) C4'-P energy: -9.994
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -11.174
flat angles P-C4'-P energy: -7.363
tors. eta vs tors. theta energy: -4.138
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: 349
Temperature: 1.300000
Total energy: -62.491316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.491316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.491316 (E_RNA)
where:
Base-Base interactions energy: -30.981
where: short stacking energy: -10.804
Base-Backbone interact. energy: 0.559
local terms energy: -32.069223
where:
bonds (distance) C4'-P energy: -9.513
bonds (distance) P-C4' energy: -10.653
flat angles C4'-P-C4' energy: -11.160
flat angles P-C4'-P energy: -3.699
tors. eta vs tors. theta energy: 2.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -63.988617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.988617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.988617 (E_RNA)
where:
Base-Base interactions energy: -19.135
where: short stacking energy: -3.418
Base-Backbone interact. energy: -0.352
local terms energy: -44.501581
where:
bonds (distance) C4'-P energy: -10.859
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -11.856
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -0.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -151.353612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.353612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.353612 (E_RNA)
where:
Base-Base interactions energy: -95.088
where: short stacking energy: -37.907
Base-Backbone interact. energy: -0.695
local terms energy: -55.569899
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -12.550
flat angles C4'-P-C4' energy: -9.482
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -10.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -155.248643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.248643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.248643 (E_RNA)
where:
Base-Base interactions energy: -102.653
where: short stacking energy: -33.964
Base-Backbone interact. energy: -0.032
local terms energy: -52.563907
where:
bonds (distance) C4'-P energy: -10.000
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -5.867
tors. eta vs tors. theta energy: -10.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -143.091387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.091387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.091387 (E_RNA)
where:
Base-Base interactions energy: -89.504
where: short stacking energy: -33.904
Base-Backbone interact. energy: -0.007
local terms energy: -53.579884
where:
bonds (distance) C4'-P energy: -12.105
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -9.724
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: -10.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -134.334744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.334744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.334744 (E_RNA)
where:
Base-Base interactions energy: -91.569
where: short stacking energy: -34.345
Base-Backbone interact. energy: -0.035
local terms energy: -42.730517
where:
bonds (distance) C4'-P energy: -12.109
bonds (distance) P-C4' energy: -4.665
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -2.840
tors. eta vs tors. theta energy: -10.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -134.913794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.913794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.913794 (E_RNA)
where:
Base-Base interactions energy: -86.698
where: short stacking energy: -41.672
Base-Backbone interact. energy: -0.331
local terms energy: -47.885088
where:
bonds (distance) C4'-P energy: -9.939
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -10.204
flat angles P-C4'-P energy: -4.115
tors. eta vs tors. theta energy: -11.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -73.774547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.774547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.774547 (E_RNA)
where:
Base-Base interactions energy: -29.858
where: short stacking energy: -18.373
Base-Backbone interact. energy: -0.190
local terms energy: -43.726123
where:
bonds (distance) C4'-P energy: -11.282
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -10.321
flat angles P-C4'-P energy: -6.266
tors. eta vs tors. theta energy: -2.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -73.455158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.455158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.455158 (E_RNA)
where:
Base-Base interactions energy: -25.555
where: short stacking energy: -25.254
Base-Backbone interact. energy: -0.132
local terms energy: -47.767847
where:
bonds (distance) C4'-P energy: -13.078
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -5.480
tors. eta vs tors. theta energy: -3.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -69.607466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.607466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.607466 (E_RNA)
where:
Base-Base interactions energy: -28.111
where: short stacking energy: -28.111
Base-Backbone interact. energy: -0.089
local terms energy: -41.408241
where:
bonds (distance) C4'-P energy: -10.651
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -7.104
flat angles P-C4'-P energy: -3.693
tors. eta vs tors. theta energy: -7.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -68.724392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.724392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.724392 (E_RNA)
where:
Base-Base interactions energy: -27.195
where: short stacking energy: -18.294
Base-Backbone interact. energy: -0.001
local terms energy: -41.528077
where:
bonds (distance) C4'-P energy: -11.468
bonds (distance) P-C4' energy: -9.726
flat angles C4'-P-C4' energy: -10.870
flat angles P-C4'-P energy: -4.114
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: 10, replica: 2
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -56.870848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.870848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.870848 (E_RNA)
where:
Base-Base interactions energy: -18.745
where: short stacking energy: -10.826
Base-Backbone interact. energy: -0.255
local terms energy: -37.870399
where:
bonds (distance) C4'-P energy: -9.178
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -6.068
tors. eta vs tors. theta energy: 3.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -153.673110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.673110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.673110 (E_RNA)
where:
Base-Base interactions energy: -102.995
where: short stacking energy: -39.822
Base-Backbone interact. energy: -0.029
local terms energy: -50.649400
where:
bonds (distance) C4'-P energy: -9.158
bonds (distance) P-C4' energy: -12.013
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -6.553
tors. eta vs tors. theta energy: -10.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -137.231578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.231578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.231578 (E_RNA)
where:
Base-Base interactions energy: -89.678
where: short stacking energy: -34.168
Base-Backbone interact. energy: -0.205
local terms energy: -47.348292
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -7.885
flat angles P-C4'-P energy: -5.331
tors. eta vs tors. theta energy: -8.801
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: 3, replica: 6
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -145.003367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.003367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.003367 (E_RNA)
where:
Base-Base interactions energy: -86.974
where: short stacking energy: -31.537
Base-Backbone interact. energy: -0.065
local terms energy: -57.964446
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -13.917
flat angles C4'-P-C4' energy: -10.262
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -10.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -126.128647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.128647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.128647 (E_RNA)
where:
Base-Base interactions energy: -75.232
where: short stacking energy: -33.144
Base-Backbone interact. energy: 0.884
local terms energy: -51.780674
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -10.513
flat angles C4'-P-C4' energy: -10.014
flat angles P-C4'-P energy: -9.560
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: 5, replica: 10
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -121.111648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.111648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.111648 (E_RNA)
where:
Base-Base interactions energy: -72.600
where: short stacking energy: -30.440
Base-Backbone interact. energy: -0.090
local terms energy: -48.421016
where:
bonds (distance) C4'-P energy: -11.149
bonds (distance) P-C4' energy: -11.503
flat angles C4'-P-C4' energy: -12.467
flat angles P-C4'-P energy: -9.078
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: 6, replica: 3
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -72.586469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.586469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.586469 (E_RNA)
where:
Base-Base interactions energy: -27.962
where: short stacking energy: -27.881
Base-Backbone interact. energy: -0.004
local terms energy: -44.620160
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -9.200
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -6.525
tors. eta vs tors. theta energy: -3.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -62.986655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.986655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.986655 (E_RNA)
where:
Base-Base interactions energy: -21.848
where: short stacking energy: -16.823
Base-Backbone interact. energy: 0.067
local terms energy: -41.205422
where:
bonds (distance) C4'-P energy: -8.541
bonds (distance) P-C4' energy: -12.360
flat angles C4'-P-C4' energy: -11.758
flat angles P-C4'-P energy: -4.593
tors. eta vs tors. theta energy: -3.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -58.952432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.952432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.952432 (E_RNA)
where:
Base-Base interactions energy: -27.573
where: short stacking energy: -12.469
Base-Backbone interact. energy: -0.133
local terms energy: -31.246230
where:
bonds (distance) C4'-P energy: -9.456
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -9.674
flat angles P-C4'-P energy: -1.278
tors. eta vs tors. theta energy: 0.895
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: 9, replica: 8
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -66.870829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.870829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.870829 (E_RNA)
where:
Base-Base interactions energy: -27.135
where: short stacking energy: -19.333
Base-Backbone interact. energy: -0.059
local terms energy: -39.677533
where:
bonds (distance) C4'-P energy: -10.793
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -8.054
flat angles P-C4'-P energy: -6.504
tors. eta vs tors. theta energy: -2.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -58.222806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.222806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.222806 (E_RNA)
where:
Base-Base interactions energy: -16.194
where: short stacking energy: -12.687
Base-Backbone interact. energy: -1.027
local terms energy: -41.002173
where:
bonds (distance) C4'-P energy: -9.097
bonds (distance) P-C4' energy: -9.874
flat angles C4'-P-C4' energy: -8.529
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -5.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -154.021751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.021751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.021751 (E_RNA)
where:
Base-Base interactions energy: -102.645
where: short stacking energy: -33.352
Base-Backbone interact. energy: -0.080
local terms energy: -51.296832
where:
bonds (distance) C4'-P energy: -12.055
bonds (distance) P-C4' energy: -10.237
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -4.978
tors. eta vs tors. theta energy: -11.278
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: 7
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -148.037441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.037441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.037441 (E_RNA)
where:
Base-Base interactions energy: -97.100
where: short stacking energy: -37.807
Base-Backbone interact. energy: -0.053
local terms energy: -50.884840
where:
bonds (distance) C4'-P energy: -11.223
bonds (distance) P-C4' energy: -11.958
flat angles C4'-P-C4' energy: -7.997
flat angles P-C4'-P energy: -5.990
tors. eta vs tors. theta energy: -13.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -136.359103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.359103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.359103 (E_RNA)
where:
Base-Base interactions energy: -89.332
where: short stacking energy: -29.562
Base-Backbone interact. energy: -0.095
local terms energy: -46.932814
where:
bonds (distance) C4'-P energy: -9.757
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -10.601
flat angles P-C4'-P energy: -6.405
tors. eta vs tors. theta energy: -7.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -144.411956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.411956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.411956 (E_RNA)
where:
Base-Base interactions energy: -91.191
where: short stacking energy: -39.711
Base-Backbone interact. energy: -0.008
local terms energy: -53.213529
where:
bonds (distance) C4'-P energy: -11.960
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -8.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -113.023262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.023262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.023262 (E_RNA)
where:
Base-Base interactions energy: -63.688
where: short stacking energy: -17.030
Base-Backbone interact. energy: -0.250
local terms energy: -49.085317
where:
bonds (distance) C4'-P energy: -10.599
bonds (distance) P-C4' energy: -12.205
flat angles C4'-P-C4' energy: -12.762
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: -5.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -63.107570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.107570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.107570 (E_RNA)
where:
Base-Base interactions energy: -23.234
where: short stacking energy: -22.222
Base-Backbone interact. energy: -0.408
local terms energy: -39.465656
where:
bonds (distance) C4'-P energy: -10.234
bonds (distance) P-C4' energy: -10.000
flat angles C4'-P-C4' energy: -10.537
flat angles P-C4'-P energy: -6.534
tors. eta vs tors. theta energy: -2.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -71.520533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.520533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.520533 (E_RNA)
where:
Base-Base interactions energy: -42.567
where: short stacking energy: -19.932
Base-Backbone interact. energy: -0.119
local terms energy: -28.833934
where:
bonds (distance) C4'-P energy: -6.504
bonds (distance) P-C4' energy: -11.394
flat angles C4'-P-C4' energy: -8.515
flat angles P-C4'-P energy: -1.224
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: 8, replica: 1
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -63.103882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.103882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.103882 (E_RNA)
where:
Base-Base interactions energy: -23.231
where: short stacking energy: -16.536
Base-Backbone interact. energy: -0.040
local terms energy: -39.833239
where:
bonds (distance) C4'-P energy: -10.209
bonds (distance) P-C4' energy: -10.624
flat angles C4'-P-C4' energy: -8.149
flat angles P-C4'-P energy: -6.886
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: 9, replica: 2
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -63.170663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.170663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.170663 (E_RNA)
where:
Base-Base interactions energy: -23.691
where: short stacking energy: -14.171
Base-Backbone interact. energy: 0.949
local terms energy: -40.428778
where:
bonds (distance) C4'-P energy: -9.133
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -6.830
tors. eta vs tors. theta energy: 0.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -78.282111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.282111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.282111 (E_RNA)
where:
Base-Base interactions energy: -36.575
where: short stacking energy: -17.074
Base-Backbone interact. energy: 0.163
local terms energy: -41.870714
where:
bonds (distance) C4'-P energy: -11.757
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -7.135
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -2.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -159.652493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.652493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.652493 (E_RNA)
where:
Base-Base interactions energy: -107.654
where: short stacking energy: -38.539
Base-Backbone interact. energy: -0.022
local terms energy: -51.977034
where:
bonds (distance) C4'-P energy: -12.544
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -12.391
flat angles P-C4'-P energy: -3.301
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: 2, replica: 7
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -144.872013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.872013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.872013 (E_RNA)
where:
Base-Base interactions energy: -86.072
where: short stacking energy: -34.425
Base-Backbone interact. energy: -0.911
local terms energy: -57.889460
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -7.697
tors. eta vs tors. theta energy: -10.604
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: 6
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -147.059739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.059739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.059739 (E_RNA)
where:
Base-Base interactions energy: -94.886
where: short stacking energy: -26.418
Base-Backbone interact. energy: 0.038
local terms energy: -52.211109
where:
bonds (distance) C4'-P energy: -12.200
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -11.522
flat angles P-C4'-P energy: -6.830
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: 4, replica: 4
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -145.574649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.574649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.574649 (E_RNA)
where:
Base-Base interactions energy: -92.044
where: short stacking energy: -38.785
Base-Backbone interact. energy: -0.083
local terms energy: -53.448415
where:
bonds (distance) C4'-P energy: -13.707
bonds (distance) P-C4' energy: -12.114
flat angles C4'-P-C4' energy: -11.635
flat angles P-C4'-P energy: -6.709
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: 5, replica: 10
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -116.331685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.331685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.331685 (E_RNA)
where:
Base-Base interactions energy: -74.055
where: short stacking energy: -28.861
Base-Backbone interact. energy: -0.154
local terms energy: -42.123073
where:
bonds (distance) C4'-P energy: -5.686
bonds (distance) P-C4' energy: -10.574
flat angles C4'-P-C4' energy: -9.284
flat angles P-C4'-P energy: -8.079
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: 6, replica: 9
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -77.827494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.827494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.827494 (E_RNA)
where:
Base-Base interactions energy: -30.325
where: short stacking energy: -17.345
Base-Backbone interact. energy: -0.090
local terms energy: -47.412163
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -11.749
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -3.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -99.339596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.339596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.339596 (E_RNA)
where:
Base-Base interactions energy: -54.340
where: short stacking energy: -29.762
Base-Backbone interact. energy: -0.239
local terms energy: -44.760323
where:
bonds (distance) C4'-P energy: -11.082
bonds (distance) P-C4' energy: -11.412
flat angles C4'-P-C4' energy: -9.823
flat angles P-C4'-P energy: -7.295
tors. eta vs tors. theta energy: -5.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -65.040381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.040381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.040381 (E_RNA)
where:
Base-Base interactions energy: -25.368
where: short stacking energy: -20.374
Base-Backbone interact. energy: -0.798
local terms energy: -38.874513
where:
bonds (distance) C4'-P energy: -11.269
bonds (distance) P-C4' energy: -10.985
flat angles C4'-P-C4' energy: -10.827
flat angles P-C4'-P energy: -4.984
tors. eta vs tors. theta energy: -0.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -50.599281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.599281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.599281 (E_RNA)
where:
Base-Base interactions energy: -10.147
where: short stacking energy: -4.928
Base-Backbone interact. energy: -0.309
local terms energy: -40.142647
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -10.578
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: 5.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -51.372925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.372925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.372925 (E_RNA)
where:
Base-Base interactions energy: -14.929
where: short stacking energy: -14.929
Base-Backbone interact. energy: -0.103
local terms energy: -36.340707
where:
bonds (distance) C4'-P energy: -9.754
bonds (distance) P-C4' energy: -9.133
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -6.740
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: 1, replica: 5
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -161.108356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.108356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.108356 (E_RNA)
where:
Base-Base interactions energy: -110.336
where: short stacking energy: -44.982
Base-Backbone interact. energy: -0.102
local terms energy: -50.670053
where:
bonds (distance) C4'-P energy: -10.681
bonds (distance) P-C4' energy: -10.872
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -4.624
tors. eta vs tors. theta energy: -11.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -156.847793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.847793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.847793 (E_RNA)
where:
Base-Base interactions energy: -109.112
where: short stacking energy: -46.467
Base-Backbone interact. energy: 0.081
local terms energy: -47.817002
where:
bonds (distance) C4'-P energy: -12.171
bonds (distance) P-C4' energy: -11.382
flat angles C4'-P-C4' energy: -9.552
flat angles P-C4'-P energy: -4.499
tors. eta vs tors. theta energy: -10.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -138.980857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.980857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.980857 (E_RNA)
where:
Base-Base interactions energy: -88.183
where: short stacking energy: -33.526
Base-Backbone interact. energy: -0.030
local terms energy: -50.767568
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -9.729
flat angles C4'-P-C4' energy: -11.052
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -9.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -143.071275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.071275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.071275 (E_RNA)
where:
Base-Base interactions energy: -95.198
where: short stacking energy: -38.599
Base-Backbone interact. energy: -0.084
local terms energy: -47.789425
where:
bonds (distance) C4'-P energy: -8.948
bonds (distance) P-C4' energy: -9.982
flat angles C4'-P-C4' energy: -10.354
flat angles P-C4'-P energy: -3.423
tors. eta vs tors. theta energy: -15.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -118.494800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.494800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.494800 (E_RNA)
where:
Base-Base interactions energy: -72.264
where: short stacking energy: -23.732
Base-Backbone interact. energy: -0.069
local terms energy: -46.162396
where:
bonds (distance) C4'-P energy: -8.101
bonds (distance) P-C4' energy: -10.365
flat angles C4'-P-C4' energy: -12.146
flat angles P-C4'-P energy: -9.010
tors. eta vs tors. theta energy: -6.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -65.043127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.043127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.043127 (E_RNA)
where:
Base-Base interactions energy: -23.944
where: short stacking energy: -10.726
Base-Backbone interact. energy: -0.114
local terms energy: -40.985250
where:
bonds (distance) C4'-P energy: -11.397
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -11.132
flat angles P-C4'-P energy: -7.211
tors. eta vs tors. theta energy: 1.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -106.177880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.177880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.177880 (E_RNA)
where:
Base-Base interactions energy: -66.003
where: short stacking energy: -33.990
Base-Backbone interact. energy: -0.042
local terms energy: -40.133294
where:
bonds (distance) C4'-P energy: -7.270
bonds (distance) P-C4' energy: -10.296
flat angles C4'-P-C4' energy: -9.490
flat angles P-C4'-P energy: -7.448
tors. eta vs tors. theta energy: -5.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -98.206460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.206460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.206460 (E_RNA)
where:
Base-Base interactions energy: -53.619
where: short stacking energy: -21.482
Base-Backbone interact. energy: -0.074
local terms energy: -44.513629
where:
bonds (distance) C4'-P energy: -11.389
bonds (distance) P-C4' energy: -11.931
flat angles C4'-P-C4' energy: -10.775
flat angles P-C4'-P energy: -5.230
tors. eta vs tors. theta energy: -5.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -61.073972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.073972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.073972 (E_RNA)
where:
Base-Base interactions energy: -25.504
where: short stacking energy: -14.295
Base-Backbone interact. energy: -0.033
local terms energy: -35.536902
where:
bonds (distance) C4'-P energy: -7.639
bonds (distance) P-C4' energy: -9.523
flat angles C4'-P-C4' energy: -10.108
flat angles P-C4'-P energy: -8.249
tors. eta vs tors. theta energy: -0.019
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: 10, replica: 2
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -60.937113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.937113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.937113 (E_RNA)
where:
Base-Base interactions energy: -25.236
where: short stacking energy: -12.092
Base-Backbone interact. energy: 0.399
local terms energy: -36.099846
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -5.977
flat angles P-C4'-P energy: -4.302
tors. eta vs tors. theta energy: 0.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -164.438838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.438838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.438838 (E_RNA)
where:
Base-Base interactions energy: -115.637
where: short stacking energy: -30.191
Base-Backbone interact. energy: -0.459
local terms energy: -48.342558
where:
bonds (distance) C4'-P energy: -11.061
bonds (distance) P-C4' energy: -9.691
flat angles C4'-P-C4' energy: -9.213
flat angles P-C4'-P energy: -6.715
tors. eta vs tors. theta energy: -11.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -147.053997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.053997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.053997 (E_RNA)
where:
Base-Base interactions energy: -95.718
where: short stacking energy: -35.375
Base-Backbone interact. energy: -0.081
local terms energy: -51.255027
where:
bonds (distance) C4'-P energy: -10.097
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -13.362
flat angles P-C4'-P energy: -3.731
tors. eta vs tors. theta energy: -11.442
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: 6
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -129.985295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.985295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.985295 (E_RNA)
where:
Base-Base interactions energy: -80.138
where: short stacking energy: -34.225
Base-Backbone interact. energy: -0.006
local terms energy: -49.840534
where:
bonds (distance) C4'-P energy: -8.810
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -3.858
tors. eta vs tors. theta energy: -10.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -120.896732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.896732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.896732 (E_RNA)
where:
Base-Base interactions energy: -86.914
where: short stacking energy: -19.906
Base-Backbone interact. energy: -0.028
local terms energy: -33.954343
where:
bonds (distance) C4'-P energy: -8.263
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -7.966
flat angles P-C4'-P energy: -3.697
tors. eta vs tors. theta energy: -1.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -138.685005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.685005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.685005 (E_RNA)
where:
Base-Base interactions energy: -88.941
where: short stacking energy: -28.166
Base-Backbone interact. energy: -0.139
local terms energy: -49.604554
where:
bonds (distance) C4'-P energy: -12.172
bonds (distance) P-C4' energy: -8.602
flat angles C4'-P-C4' energy: -12.204
flat angles P-C4'-P energy: -6.987
tors. eta vs tors. theta energy: -9.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -71.947614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.947614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.947614 (E_RNA)
where:
Base-Base interactions energy: -28.943
where: short stacking energy: -13.212
Base-Backbone interact. energy: -0.481
local terms energy: -42.523826
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -12.556
flat angles C4'-P-C4' energy: -7.680
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: -2.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -77.629258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.629258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.629258 (E_RNA)
where:
Base-Base interactions energy: -29.442
where: short stacking energy: -29.041
Base-Backbone interact. energy: -0.102
local terms energy: -48.085959
where:
bonds (distance) C4'-P energy: -10.570
bonds (distance) P-C4' energy: -9.062
flat angles C4'-P-C4' energy: -8.896
flat angles P-C4'-P energy: -8.559
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: 8
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -60.428053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.428053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.428053 (E_RNA)
where:
Base-Base interactions energy: -19.925
where: short stacking energy: -19.925
Base-Backbone interact. energy: -0.069
local terms energy: -40.433151
where:
bonds (distance) C4'-P energy: -11.972
bonds (distance) P-C4' energy: -9.982
flat angles C4'-P-C4' energy: -7.405
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -0.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -60.217039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.217039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.217039 (E_RNA)
where:
Base-Base interactions energy: -23.287
where: short stacking energy: -18.679
Base-Backbone interact. energy: 1.102
local terms energy: -38.031523
where:
bonds (distance) C4'-P energy: -8.242
bonds (distance) P-C4' energy: -7.500
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -3.272
tors. eta vs tors. theta energy: -5.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -59.278042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.278042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.278042 (E_RNA)
where:
Base-Base interactions energy: -19.983
where: short stacking energy: -13.353
Base-Backbone interact. energy: -1.296
local terms energy: -37.998714
where:
bonds (distance) C4'-P energy: -9.940
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -10.821
flat angles P-C4'-P energy: -4.626
tors. eta vs tors. theta energy: -0.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -152.676439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.676439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.676439 (E_RNA)
where:
Base-Base interactions energy: -100.423
where: short stacking energy: -33.602
Base-Backbone interact. energy: 0.265
local terms energy: -52.518330
where:
bonds (distance) C4'-P energy: -11.058
bonds (distance) P-C4' energy: -9.541
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -5.772
tors. eta vs tors. theta energy: -12.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -163.863802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.863802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.863802 (E_RNA)
where:
Base-Base interactions energy: -115.510
where: short stacking energy: -37.972
Base-Backbone interact. energy: -0.238
local terms energy: -48.115958
where:
bonds (distance) C4'-P energy: -7.448
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -11.549
flat angles P-C4'-P energy: -6.917
tors. eta vs tors. theta energy: -10.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -139.449055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.449055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.449055 (E_RNA)
where:
Base-Base interactions energy: -84.226
where: short stacking energy: -32.966
Base-Backbone interact. energy: -0.099
local terms energy: -55.124553
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -8.764
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -10.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -147.526757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.526757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.526757 (E_RNA)
where:
Base-Base interactions energy: -96.024
where: short stacking energy: -40.326
Base-Backbone interact. energy: -0.612
local terms energy: -50.890284
where:
bonds (distance) C4'-P energy: -7.651
bonds (distance) P-C4' energy: -12.893
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -9.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -135.017946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.017946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.017946 (E_RNA)
where:
Base-Base interactions energy: -87.135
where: short stacking energy: -27.090
Base-Backbone interact. energy: -0.006
local terms energy: -47.877025
where:
bonds (distance) C4'-P energy: -11.186
bonds (distance) P-C4' energy: -12.519
flat angles C4'-P-C4' energy: -11.969
flat angles P-C4'-P energy: -5.431
tors. eta vs tors. theta energy: -6.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -81.253072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.253072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.253072 (E_RNA)
where:
Base-Base interactions energy: -35.564
where: short stacking energy: -23.590
Base-Backbone interact. energy: -0.945
local terms energy: -44.744862
where:
bonds (distance) C4'-P energy: -10.589
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -9.871
flat angles P-C4'-P energy: -6.335
tors. eta vs tors. theta energy: -5.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -64.658610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.658610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.658610 (E_RNA)
where:
Base-Base interactions energy: -28.857
where: short stacking energy: -17.928
Base-Backbone interact. energy: -0.195
local terms energy: -35.607517
where:
bonds (distance) C4'-P energy: -9.452
bonds (distance) P-C4' energy: -10.765
flat angles C4'-P-C4' energy: -11.111
flat angles P-C4'-P energy: -4.479
tors. eta vs tors. theta energy: 0.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -65.671042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.671042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.671042 (E_RNA)
where:
Base-Base interactions energy: -21.121
where: short stacking energy: -21.121
Base-Backbone interact. energy: -0.091
local terms energy: -44.459748
where:
bonds (distance) C4'-P energy: -10.669
bonds (distance) P-C4' energy: -12.089
flat angles C4'-P-C4' energy: -9.125
flat angles P-C4'-P energy: -5.600
tors. eta vs tors. theta energy: -6.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -58.727428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.727428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.727428 (E_RNA)
where:
Base-Base interactions energy: -24.263
where: short stacking energy: -16.613
Base-Backbone interact. energy: 0.719
local terms energy: -35.183960
where:
bonds (distance) C4'-P energy: -7.626
bonds (distance) P-C4' energy: -11.411
flat angles C4'-P-C4' energy: -9.879
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: 3.033
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: 10, replica: 1
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -59.154193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.154193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.154193 (E_RNA)
where:
Base-Base interactions energy: -23.912
where: short stacking energy: -14.687
Base-Backbone interact. energy: 0.441
local terms energy: -35.683409
where:
bonds (distance) C4'-P energy: -9.977
bonds (distance) P-C4' energy: -8.929
flat angles C4'-P-C4' energy: -11.616
flat angles P-C4'-P energy: -7.402
tors. eta vs tors. theta energy: 2.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -156.040839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.040839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.040839 (E_RNA)
where:
Base-Base interactions energy: -101.105
where: short stacking energy: -40.971
Base-Backbone interact. energy: -0.037
local terms energy: -54.899518
where:
bonds (distance) C4'-P energy: -10.063
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -11.520
flat angles P-C4'-P energy: -5.285
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: 2, replica: 5
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -147.102011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.102011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.102011 (E_RNA)
where:
Base-Base interactions energy: -93.565
where: short stacking energy: -34.417
Base-Backbone interact. energy: -0.075
local terms energy: -53.461613
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -12.675
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -4.052
tors. eta vs tors. theta energy: -11.193
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: 10
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -136.891725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.891725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.891725 (E_RNA)
where:
Base-Base interactions energy: -87.718
where: short stacking energy: -35.109
Base-Backbone interact. energy: -0.014
local terms energy: -49.160079
where:
bonds (distance) C4'-P energy: -12.750
bonds (distance) P-C4' energy: -11.228
flat angles C4'-P-C4' energy: -11.529
flat angles P-C4'-P energy: -5.293
tors. eta vs tors. theta energy: -8.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -148.658741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.658741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.658741 (E_RNA)
where:
Base-Base interactions energy: -99.886
where: short stacking energy: -32.675
Base-Backbone interact. energy: -0.012
local terms energy: -48.759846
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -11.590
flat angles C4'-P-C4' energy: -9.497
flat angles P-C4'-P energy: -5.955
tors. eta vs tors. theta energy: -8.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -133.135054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.135054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.135054 (E_RNA)
where:
Base-Base interactions energy: -91.787
where: short stacking energy: -27.351
Base-Backbone interact. energy: 0.243
local terms energy: -41.591120
where:
bonds (distance) C4'-P energy: -11.310
bonds (distance) P-C4' energy: -8.704
flat angles C4'-P-C4' energy: -7.542
flat angles P-C4'-P energy: -8.749
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: 6, replica: 8
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -72.001283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.001283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.001283 (E_RNA)
where:
Base-Base interactions energy: -25.138
where: short stacking energy: -14.766
Base-Backbone interact. energy: -0.108
local terms energy: -46.755340
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -12.112
flat angles C4'-P-C4' energy: -11.989
flat angles P-C4'-P energy: -6.342
tors. eta vs tors. theta energy: -2.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -65.413576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.413576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.413576 (E_RNA)
where:
Base-Base interactions energy: -34.463
where: short stacking energy: -14.047
Base-Backbone interact. energy: -0.487
local terms energy: -30.463612
where:
bonds (distance) C4'-P energy: -9.518
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -6.255
flat angles P-C4'-P energy: -1.428
tors. eta vs tors. theta energy: 0.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -63.175165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.175165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.175165 (E_RNA)
where:
Base-Base interactions energy: -19.565
where: short stacking energy: -12.671
Base-Backbone interact. energy: -0.049
local terms energy: -43.561517
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -6.639
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -2.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -56.129752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.129752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.129752 (E_RNA)
where:
Base-Base interactions energy: -21.896
where: short stacking energy: -17.712
Base-Backbone interact. energy: 1.381
local terms energy: -35.614252
where:
bonds (distance) C4'-P energy: -10.036
bonds (distance) P-C4' energy: -9.562
flat angles C4'-P-C4' energy: -11.213
flat angles P-C4'-P energy: -6.495
tors. eta vs tors. theta energy: 1.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -56.666808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.666808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.666808 (E_RNA)
where:
Base-Base interactions energy: -19.353
where: short stacking energy: -18.167
Base-Backbone interact. energy: -0.063
local terms energy: -37.251041
where:
bonds (distance) C4'-P energy: -10.888
bonds (distance) P-C4' energy: -5.607
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -7.474
tors. eta vs tors. theta energy: -0.697
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: 1, replica: 5
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -151.384717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.384717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.384717 (E_RNA)
where:
Base-Base interactions energy: -93.387
where: short stacking energy: -35.010
Base-Backbone interact. energy: -0.063
local terms energy: -57.935261
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -7.817
tors. eta vs tors. theta energy: -10.755
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: 7
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -157.332000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.332000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.332000 (E_RNA)
where:
Base-Base interactions energy: -104.424
where: short stacking energy: -42.323
Base-Backbone interact. energy: -0.001
local terms energy: -52.907408
where:
bonds (distance) C4'-P energy: -10.057
bonds (distance) P-C4' energy: -11.411
flat angles C4'-P-C4' energy: -9.446
flat angles P-C4'-P energy: -7.666
tors. eta vs tors. theta energy: -14.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -138.079419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.079419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.079419 (E_RNA)
where:
Base-Base interactions energy: -85.979
where: short stacking energy: -41.624
Base-Backbone interact. energy: -0.040
local terms energy: -52.060612
where:
bonds (distance) C4'-P energy: -7.502
bonds (distance) P-C4' energy: -12.733
flat angles C4'-P-C4' energy: -12.367
flat angles P-C4'-P energy: -7.254
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: 4, replica: 4
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -135.643449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.643449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.643449 (E_RNA)
where:
Base-Base interactions energy: -92.844
where: short stacking energy: -32.283
Base-Backbone interact. energy: -0.102
local terms energy: -42.697794
where:
bonds (distance) C4'-P energy: -3.987
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -10.278
flat angles P-C4'-P energy: -6.299
tors. eta vs tors. theta energy: -8.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -126.521822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.521822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.521822 (E_RNA)
where:
Base-Base interactions energy: -76.149
where: short stacking energy: -34.343
Base-Backbone interact. energy: -0.088
local terms energy: -50.284012
where:
bonds (distance) C4'-P energy: -8.544
bonds (distance) P-C4' energy: -11.161
flat angles C4'-P-C4' energy: -9.485
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -9.997
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: 6, replica: 8
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -76.901234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.901234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.901234 (E_RNA)
where:
Base-Base interactions energy: -35.957
where: short stacking energy: -19.310
Base-Backbone interact. energy: -1.090
local terms energy: -39.854241
where:
bonds (distance) C4'-P energy: -10.474
bonds (distance) P-C4' energy: -11.013
flat angles C4'-P-C4' energy: -9.561
flat angles P-C4'-P energy: -7.347
tors. eta vs tors. theta energy: -1.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -65.274672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.274672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.274672 (E_RNA)
where:
Base-Base interactions energy: -31.443
where: short stacking energy: -20.302
Base-Backbone interact. energy: -0.055
local terms energy: -33.776007
where:
bonds (distance) C4'-P energy: -11.674
bonds (distance) P-C4' energy: -8.912
flat angles C4'-P-C4' energy: -7.810
flat angles P-C4'-P energy: -6.720
tors. eta vs tors. theta energy: 1.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -63.034336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.034336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.034336 (E_RNA)
where:
Base-Base interactions energy: -15.831
where: short stacking energy: -15.831
Base-Backbone interact. energy: -0.023
local terms energy: -47.180271
where:
bonds (distance) C4'-P energy: -11.472
bonds (distance) P-C4' energy: -11.345
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -6.776
tors. eta vs tors. theta energy: -5.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -59.325968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.325968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.325968 (E_RNA)
where:
Base-Base interactions energy: -24.187
where: short stacking energy: -16.653
Base-Backbone interact. energy: -0.709
local terms energy: -34.430035
where:
bonds (distance) C4'-P energy: -7.928
bonds (distance) P-C4' energy: -4.248
flat angles C4'-P-C4' energy: -9.742
flat angles P-C4'-P energy: -10.325
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: 10, replica: 9
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -57.072609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.072609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.072609 (E_RNA)
where:
Base-Base interactions energy: -17.498
where: short stacking energy: -13.149
Base-Backbone interact. energy: -0.308
local terms energy: -39.266931
where:
bonds (distance) C4'-P energy: -9.862
bonds (distance) P-C4' energy: -11.341
flat angles C4'-P-C4' energy: -10.279
flat angles P-C4'-P energy: -6.140
tors. eta vs tors. theta energy: -1.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -157.465436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.465436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.465436 (E_RNA)
where:
Base-Base interactions energy: -104.336
where: short stacking energy: -37.063
Base-Backbone interact. energy: -0.007
local terms energy: -53.122162
where:
bonds (distance) C4'-P energy: -11.778
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -4.840
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: 2, replica: 10
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -146.225024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.225024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.225024 (E_RNA)
where:
Base-Base interactions energy: -85.995
where: short stacking energy: -38.125
Base-Backbone interact. energy: -0.209
local terms energy: -60.021089
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -7.190
tors. eta vs tors. theta energy: -13.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -135.705937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.705937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.705937 (E_RNA)
where:
Base-Base interactions energy: -83.439
where: short stacking energy: -36.374
Base-Backbone interact. energy: -0.005
local terms energy: -52.261233
where:
bonds (distance) C4'-P energy: -10.312
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -11.815
flat angles P-C4'-P energy: -6.930
tors. eta vs tors. theta energy: -10.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -137.719273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.719273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.719273 (E_RNA)
where:
Base-Base interactions energy: -86.772
where: short stacking energy: -41.770
Base-Backbone interact. energy: -0.126
local terms energy: -50.820524
where:
bonds (distance) C4'-P energy: -8.070
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -7.158
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: 5, replica: 4
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -129.351724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.351724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.351724 (E_RNA)
where:
Base-Base interactions energy: -82.676
where: short stacking energy: -35.517
Base-Backbone interact. energy: -0.339
local terms energy: -46.336371
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -10.007
flat angles C4'-P-C4' energy: -11.482
flat angles P-C4'-P energy: -4.642
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: 6, replica: 2
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -69.232786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.232786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.232786 (E_RNA)
where:
Base-Base interactions energy: -37.586
where: short stacking energy: -23.686
Base-Backbone interact. energy: -0.072
local terms energy: -31.574894
where:
bonds (distance) C4'-P energy: -9.055
bonds (distance) P-C4' energy: -6.771
flat angles C4'-P-C4' energy: -7.701
flat angles P-C4'-P energy: -6.232
tors. eta vs tors. theta energy: -1.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -62.714883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.714883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.714883 (E_RNA)
where:
Base-Base interactions energy: -23.445
where: short stacking energy: -22.700
Base-Backbone interact. energy: 0.949
local terms energy: -40.219410
where:
bonds (distance) C4'-P energy: -8.339
bonds (distance) P-C4' energy: -9.476
flat angles C4'-P-C4' energy: -10.516
flat angles P-C4'-P energy: -8.907
tors. eta vs tors. theta energy: -2.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -70.618409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.618409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.618409 (E_RNA)
where:
Base-Base interactions energy: -33.149
where: short stacking energy: -3.563
Base-Backbone interact. energy: -0.130
local terms energy: -37.338633
where:
bonds (distance) C4'-P energy: -8.322
bonds (distance) P-C4' energy: -11.930
flat angles C4'-P-C4' energy: -10.782
flat angles P-C4'-P energy: -4.545
tors. eta vs tors. theta energy: -1.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -58.006732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.006732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.006732 (E_RNA)
where:
Base-Base interactions energy: -18.207
where: short stacking energy: -18.207
Base-Backbone interact. energy: -0.005
local terms energy: -39.794654
where:
bonds (distance) C4'-P energy: -5.230
bonds (distance) P-C4' energy: -10.185
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -9.024
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: 10, replica: 9
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -63.763930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.763930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.763930 (E_RNA)
where:
Base-Base interactions energy: -23.560
where: short stacking energy: -22.090
Base-Backbone interact. energy: -0.019
local terms energy: -40.185346
where:
bonds (distance) C4'-P energy: -8.478
bonds (distance) P-C4' energy: -10.455
flat angles C4'-P-C4' energy: -7.140
flat angles P-C4'-P energy: -6.847
tors. eta vs tors. theta energy: -7.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -154.131125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.131125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.131125 (E_RNA)
where:
Base-Base interactions energy: -97.855
where: short stacking energy: -38.002
Base-Backbone interact. energy: -0.469
local terms energy: -55.807118
where:
bonds (distance) C4'-P energy: -12.693
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -10.495
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -13.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -140.439779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.439779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.439779 (E_RNA)
where:
Base-Base interactions energy: -86.119
where: short stacking energy: -44.711
Base-Backbone interact. energy: -0.016
local terms energy: -54.304612
where:
bonds (distance) C4'-P energy: -11.182
bonds (distance) P-C4' energy: -10.704
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -5.261
tors. eta vs tors. theta energy: -12.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -142.084034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.084034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.084034 (E_RNA)
where:
Base-Base interactions energy: -86.335
where: short stacking energy: -40.962
Base-Backbone interact. energy: -0.623
local terms energy: -55.126102
where:
bonds (distance) C4'-P energy: -9.871
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -12.009
flat angles P-C4'-P energy: -6.837
tors. eta vs tors. theta energy: -13.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -144.019765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.019765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.019765 (E_RNA)
where:
Base-Base interactions energy: -93.742
where: short stacking energy: -33.855
Base-Backbone interact. energy: -0.004
local terms energy: -50.273748
where:
bonds (distance) C4'-P energy: -12.109
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -7.869
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -8.862
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: 4
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -131.845413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.845413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.845413 (E_RNA)
where:
Base-Base interactions energy: -80.462
where: short stacking energy: -32.748
Base-Backbone interact. energy: -0.007
local terms energy: -51.376240
where:
bonds (distance) C4'-P energy: -12.209
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -7.048
flat angles P-C4'-P energy: -7.380
tors. eta vs tors. theta energy: -12.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -95.618814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.618814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.618814 (E_RNA)
where:
Base-Base interactions energy: -61.229
where: short stacking energy: -17.647
Base-Backbone interact. energy: -0.016
local terms energy: -34.374006
where:
bonds (distance) C4'-P energy: -11.414
bonds (distance) P-C4' energy: -8.631
flat angles C4'-P-C4' energy: -11.819
flat angles P-C4'-P energy: -2.816
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: 7, replica: 1
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -80.213330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.213330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.213330 (E_RNA)
where:
Base-Base interactions energy: -39.925
where: short stacking energy: -21.612
Base-Backbone interact. energy: -0.043
local terms energy: -40.245762
where:
bonds (distance) C4'-P energy: -11.464
bonds (distance) P-C4' energy: -11.381
flat angles C4'-P-C4' energy: -9.641
flat angles P-C4'-P energy: -3.578
tors. eta vs tors. theta energy: -4.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -83.534014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.534014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.534014 (E_RNA)
where:
Base-Base interactions energy: -38.717
where: short stacking energy: -24.724
Base-Backbone interact. energy: -0.090
local terms energy: -44.727027
where:
bonds (distance) C4'-P energy: -9.978
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -11.563
flat angles P-C4'-P energy: -3.004
tors. eta vs tors. theta energy: -7.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -58.350961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.350961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.350961 (E_RNA)
where:
Base-Base interactions energy: -23.249
where: short stacking energy: -20.723
Base-Backbone interact. energy: 0.016
local terms energy: -35.118562
where:
bonds (distance) C4'-P energy: -9.908
bonds (distance) P-C4' energy: -11.683
flat angles C4'-P-C4' energy: -9.518
flat angles P-C4'-P energy: -4.258
tors. eta vs tors. theta energy: 0.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -61.400097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.400097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.400097 (E_RNA)
where:
Base-Base interactions energy: -18.682
where: short stacking energy: -9.223
Base-Backbone interact. energy: 0.182
local terms energy: -42.899447
where:
bonds (distance) C4'-P energy: -14.125
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -11.052
flat angles P-C4'-P energy: -3.785
tors. eta vs tors. theta energy: -2.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -152.950195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.950195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.950195 (E_RNA)
where:
Base-Base interactions energy: -99.740
where: short stacking energy: -37.177
Base-Backbone interact. energy: -0.770
local terms energy: -52.439932
where:
bonds (distance) C4'-P energy: -11.343
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -7.652
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -11.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -142.444433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.444433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.444433 (E_RNA)
where:
Base-Base interactions energy: -89.771
where: short stacking energy: -31.162
Base-Backbone interact. energy: -0.074
local terms energy: -52.598990
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -12.677
flat angles C4'-P-C4' energy: -10.082
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -8.703
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: 3, replica: 5
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -141.057028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.057028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.057028 (E_RNA)
where:
Base-Base interactions energy: -85.424
where: short stacking energy: -35.497
Base-Backbone interact. energy: -0.095
local terms energy: -55.537487
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -10.947
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -10.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -143.582800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.582800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.582800 (E_RNA)
where:
Base-Base interactions energy: -96.236
where: short stacking energy: -34.816
Base-Backbone interact. energy: -0.003
local terms energy: -47.343584
where:
bonds (distance) C4'-P energy: -11.058
bonds (distance) P-C4' energy: -11.715
flat angles C4'-P-C4' energy: -9.238
flat angles P-C4'-P energy: -6.899
tors. eta vs tors. theta energy: -8.433
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: 4
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -109.211796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.211796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.211796 (E_RNA)
where:
Base-Base interactions energy: -64.577
where: short stacking energy: -27.555
Base-Backbone interact. energy: -0.331
local terms energy: -44.303382
where:
bonds (distance) C4'-P energy: -9.970
bonds (distance) P-C4' energy: -8.605
flat angles C4'-P-C4' energy: -7.514
flat angles P-C4'-P energy: -8.941
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: 6, replica: 1
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -73.937179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.937179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.937179 (E_RNA)
where:
Base-Base interactions energy: -42.215
where: short stacking energy: -16.925
Base-Backbone interact. energy: 0.352
local terms energy: -32.073811
where:
bonds (distance) C4'-P energy: -5.950
bonds (distance) P-C4' energy: -7.076
flat angles C4'-P-C4' energy: -9.198
flat angles P-C4'-P energy: -4.423
tors. eta vs tors. theta energy: -5.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -86.720141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.720141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.720141 (E_RNA)
where:
Base-Base interactions energy: -46.438
where: short stacking energy: -26.121
Base-Backbone interact. energy: -0.470
local terms energy: -39.811616
where:
bonds (distance) C4'-P energy: -12.404
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -11.016
flat angles P-C4'-P energy: -2.696
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: 8, replica: 9
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -58.639457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.639457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.639457 (E_RNA)
where:
Base-Base interactions energy: -21.321
where: short stacking energy: -16.155
Base-Backbone interact. energy: -0.022
local terms energy: -37.296808
where:
bonds (distance) C4'-P energy: -9.861
bonds (distance) P-C4' energy: -10.396
flat angles C4'-P-C4' energy: -4.049
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: -5.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -63.684839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.684839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.684839 (E_RNA)
where:
Base-Base interactions energy: -22.651
where: short stacking energy: -10.537
Base-Backbone interact. energy: -0.134
local terms energy: -40.899511
where:
bonds (distance) C4'-P energy: -8.864
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -10.664
flat angles P-C4'-P energy: -5.910
tors. eta vs tors. theta energy: -3.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -61.634623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.634623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.634623 (E_RNA)
where:
Base-Base interactions energy: -19.636
where: short stacking energy: -19.636
Base-Backbone interact. energy: -0.024
local terms energy: -41.974448
where:
bonds (distance) C4'-P energy: -9.362
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -11.360
flat angles P-C4'-P energy: -6.178
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: 362
Temperature: 0.900000
Total energy: -144.272802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.272802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.272802 (E_RNA)
where:
Base-Base interactions energy: -89.303
where: short stacking energy: -38.172
Base-Backbone interact. energy: -0.695
local terms energy: -54.274130
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -11.804
flat angles C4'-P-C4' energy: -11.259
flat angles P-C4'-P energy: -11.230
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: 2, replica: 10
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -158.715104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.715104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.715104 (E_RNA)
where:
Base-Base interactions energy: -113.427
where: short stacking energy: -37.334
Base-Backbone interact. energy: -0.729
local terms energy: -44.559475
where:
bonds (distance) C4'-P energy: -10.908
bonds (distance) P-C4' energy: -10.421
flat angles C4'-P-C4' energy: -10.383
flat angles P-C4'-P energy: -2.635
tors. eta vs tors. theta energy: -10.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -145.882571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.882571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.882571 (E_RNA)
where:
Base-Base interactions energy: -95.950
where: short stacking energy: -40.235
Base-Backbone interact. energy: -0.299
local terms energy: -49.633512
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -10.531
flat angles C4'-P-C4' energy: -11.055
flat angles P-C4'-P energy: -5.971
tors. eta vs tors. theta energy: -11.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -136.781213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.781213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.781213 (E_RNA)
where:
Base-Base interactions energy: -93.086
where: short stacking energy: -40.362
Base-Backbone interact. energy: -0.085
local terms energy: -43.610645
where:
bonds (distance) C4'-P energy: -6.044
bonds (distance) P-C4' energy: -10.226
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -3.986
tors. eta vs tors. theta energy: -10.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -124.397749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.397749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.397749 (E_RNA)
where:
Base-Base interactions energy: -77.347
where: short stacking energy: -35.725
Base-Backbone interact. energy: -0.015
local terms energy: -47.035318
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -8.707
flat angles P-C4'-P energy: -6.302
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: 6, replica: 1
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -73.848039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.848039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.848039 (E_RNA)
where:
Base-Base interactions energy: -33.520
where: short stacking energy: -20.522
Base-Backbone interact. energy: -1.105
local terms energy: -39.222288
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -9.902
flat angles C4'-P-C4' energy: -9.923
flat angles P-C4'-P energy: -7.935
tors. eta vs tors. theta energy: 1.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -71.904902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.904902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.904902 (E_RNA)
where:
Base-Base interactions energy: -27.708
where: short stacking energy: -27.560
Base-Backbone interact. energy: -0.122
local terms energy: -44.074595
where:
bonds (distance) C4'-P energy: -7.465
bonds (distance) P-C4' energy: -10.847
flat angles C4'-P-C4' energy: -10.030
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -7.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -66.719537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.719537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.719537 (E_RNA)
where:
Base-Base interactions energy: -36.091
where: short stacking energy: -18.160
Base-Backbone interact. energy: -0.064
local terms energy: -30.564779
where:
bonds (distance) C4'-P energy: -7.037
bonds (distance) P-C4' energy: -11.395
flat angles C4'-P-C4' energy: -7.019
flat angles P-C4'-P energy: -4.773
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: 9, replica: 3
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -58.472643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.472643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.472643 (E_RNA)
where:
Base-Base interactions energy: -18.087
where: short stacking energy: -18.087
Base-Backbone interact. energy: -0.058
local terms energy: -40.327663
where:
bonds (distance) C4'-P energy: -8.690
bonds (distance) P-C4' energy: -11.139
flat angles C4'-P-C4' energy: -8.252
flat angles P-C4'-P energy: -8.221
tors. eta vs tors. theta energy: -4.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -57.400122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.400122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.400122 (E_RNA)
where:
Base-Base interactions energy: -23.972
where: short stacking energy: -14.962
Base-Backbone interact. energy: -0.153
local terms energy: -33.275126
where:
bonds (distance) C4'-P energy: -4.843
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -11.384
flat angles P-C4'-P energy: -4.677
tors. eta vs tors. theta energy: 1.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -143.173539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.173539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.173539 (E_RNA)
where:
Base-Base interactions energy: -92.273
where: short stacking energy: -32.747
Base-Backbone interact. energy: -0.353
local terms energy: -50.547620
where:
bonds (distance) C4'-P energy: -13.637
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -8.279
flat angles P-C4'-P energy: -7.698
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: 2, replica: 10
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -155.982345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.982345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.982345 (E_RNA)
where:
Base-Base interactions energy: -103.793
where: short stacking energy: -35.483
Base-Backbone interact. energy: -0.874
local terms energy: -51.315476
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -7.778
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -10.222
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: 5
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -151.360703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.360703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.360703 (E_RNA)
where:
Base-Base interactions energy: -103.909
where: short stacking energy: -40.859
Base-Backbone interact. energy: -0.024
local terms energy: -47.427636
where:
bonds (distance) C4'-P energy: -8.934
bonds (distance) P-C4' energy: -13.094
flat angles C4'-P-C4' energy: -8.216
flat angles P-C4'-P energy: -5.266
tors. eta vs tors. theta energy: -11.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -131.523394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.523394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.523394 (E_RNA)
where:
Base-Base interactions energy: -84.500
where: short stacking energy: -40.902
Base-Backbone interact. energy: -0.263
local terms energy: -46.759924
where:
bonds (distance) C4'-P energy: -9.646
bonds (distance) P-C4' energy: -9.849
flat angles C4'-P-C4' energy: -10.640
flat angles P-C4'-P energy: -7.232
tors. eta vs tors. theta energy: -9.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -130.396997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.396997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.396997 (E_RNA)
where:
Base-Base interactions energy: -75.754
where: short stacking energy: -31.503
Base-Backbone interact. energy: -0.392
local terms energy: -54.251112
where:
bonds (distance) C4'-P energy: -10.235
bonds (distance) P-C4' energy: -11.922
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -7.914
tors. eta vs tors. theta energy: -11.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -110.486339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.486339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.486339 (E_RNA)
where:
Base-Base interactions energy: -64.590
where: short stacking energy: -26.872
Base-Backbone interact. energy: -0.109
local terms energy: -45.787824
where:
bonds (distance) C4'-P energy: -10.250
bonds (distance) P-C4' energy: -11.758
flat angles C4'-P-C4' energy: -11.455
flat angles P-C4'-P energy: -7.162
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: 7, replica: 1
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -65.108652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.108652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.108652 (E_RNA)
where:
Base-Base interactions energy: -25.161
where: short stacking energy: -18.427
Base-Backbone interact. energy: -0.127
local terms energy: -39.821023
where:
bonds (distance) C4'-P energy: -10.148
bonds (distance) P-C4' energy: -9.470
flat angles C4'-P-C4' energy: -11.449
flat angles P-C4'-P energy: -4.548
tors. eta vs tors. theta energy: -4.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -68.444926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.444926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.444926 (E_RNA)
where:
Base-Base interactions energy: -32.197
where: short stacking energy: -11.587
Base-Backbone interact. energy: -0.761
local terms energy: -35.486476
where:
bonds (distance) C4'-P energy: -10.868
bonds (distance) P-C4' energy: -7.801
flat angles C4'-P-C4' energy: -10.787
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: 2.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -59.945025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.945025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.945025 (E_RNA)
where:
Base-Base interactions energy: -21.725
where: short stacking energy: -20.681
Base-Backbone interact. energy: -0.821
local terms energy: -37.398726
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -9.852
flat angles C4'-P-C4' energy: -12.084
flat angles P-C4'-P energy: -1.805
tors. eta vs tors. theta energy: -0.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -74.027578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.027578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.027578 (E_RNA)
where:
Base-Base interactions energy: -38.734
where: short stacking energy: -14.403
Base-Backbone interact. energy: -0.482
local terms energy: -34.811309
where:
bonds (distance) C4'-P energy: -9.932
bonds (distance) P-C4' energy: -7.830
flat angles C4'-P-C4' energy: -7.486
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -1.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -143.351114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.351114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.351114 (E_RNA)
where:
Base-Base interactions energy: -95.476
where: short stacking energy: -34.161
Base-Backbone interact. energy: -0.068
local terms energy: -47.806715
where:
bonds (distance) C4'-P energy: -6.817
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -4.836
tors. eta vs tors. theta energy: -10.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -148.820609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.820609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.820609 (E_RNA)
where:
Base-Base interactions energy: -99.001
where: short stacking energy: -37.411
Base-Backbone interact. energy: -0.142
local terms energy: -49.678038
where:
bonds (distance) C4'-P energy: -10.822
bonds (distance) P-C4' energy: -8.343
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -7.463
tors. eta vs tors. theta energy: -10.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -149.320852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.320852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.320852 (E_RNA)
where:
Base-Base interactions energy: -101.882
where: short stacking energy: -32.246
Base-Backbone interact. energy: -1.145
local terms energy: -46.293054
where:
bonds (distance) C4'-P energy: -9.108
bonds (distance) P-C4' energy: -10.827
flat angles C4'-P-C4' energy: -8.853
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -8.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -135.968368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.968368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.968368 (E_RNA)
where:
Base-Base interactions energy: -83.041
where: short stacking energy: -32.354
Base-Backbone interact. energy: -1.236
local terms energy: -51.691409
where:
bonds (distance) C4'-P energy: -10.615
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -9.642
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -7.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -129.592777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.592777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.592777 (E_RNA)
where:
Base-Base interactions energy: -84.933
where: short stacking energy: -25.098
Base-Backbone interact. energy: -0.045
local terms energy: -44.614731
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -11.166
flat angles C4'-P-C4' energy: -13.326
flat angles P-C4'-P energy: -0.798
tors. eta vs tors. theta energy: -6.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -106.278468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.278468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.278468 (E_RNA)
where:
Base-Base interactions energy: -60.567
where: short stacking energy: -30.638
Base-Backbone interact. energy: -0.357
local terms energy: -45.354743
where:
bonds (distance) C4'-P energy: -9.961
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -7.198
flat angles P-C4'-P energy: -6.141
tors. eta vs tors. theta energy: -8.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -68.268128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.268128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.268128 (E_RNA)
where:
Base-Base interactions energy: -26.645
where: short stacking energy: -21.175
Base-Backbone interact. energy: -2.803
local terms energy: -38.820170
where:
bonds (distance) C4'-P energy: -3.917
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -11.776
flat angles P-C4'-P energy: -6.474
tors. eta vs tors. theta energy: -2.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -65.946850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.946850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.946850 (E_RNA)
where:
Base-Base interactions energy: -22.389
where: short stacking energy: -20.883
Base-Backbone interact. energy: -0.088
local terms energy: -43.469890
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -10.385
flat angles P-C4'-P energy: -3.916
tors. eta vs tors. theta energy: -5.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -61.555720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.555720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.555720 (E_RNA)
where:
Base-Base interactions energy: -16.835
where: short stacking energy: -14.064
Base-Backbone interact. energy: -0.089
local terms energy: -44.632505
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -5.809
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: 10, replica: 3
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -66.248757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.248757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.248757 (E_RNA)
where:
Base-Base interactions energy: -32.236
where: short stacking energy: -8.428
Base-Backbone interact. energy: 0.792
local terms energy: -34.804574
where:
bonds (distance) C4'-P energy: -8.403
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -10.044
flat angles P-C4'-P energy: -6.138
tors. eta vs tors. theta energy: 2.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -158.544195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.544195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.544195 (E_RNA)
where:
Base-Base interactions energy: -115.377
where: short stacking energy: -38.828
Base-Backbone interact. energy: -0.019
local terms energy: -43.147706
where:
bonds (distance) C4'-P energy: -7.671
bonds (distance) P-C4' energy: -11.427
flat angles C4'-P-C4' energy: -8.451
flat angles P-C4'-P energy: -4.521
tors. eta vs tors. theta energy: -11.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -144.496196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.496196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.496196 (E_RNA)
where:
Base-Base interactions energy: -98.051
where: short stacking energy: -38.664
Base-Backbone interact. energy: -0.169
local terms energy: -46.276818
where:
bonds (distance) C4'-P energy: -8.557
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -5.105
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -10.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -141.646126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.646126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.646126 (E_RNA)
where:
Base-Base interactions energy: -94.482
where: short stacking energy: -33.236
Base-Backbone interact. energy: 0.351
local terms energy: -47.515338
where:
bonds (distance) C4'-P energy: -11.674
bonds (distance) P-C4' energy: -9.959
flat angles C4'-P-C4' energy: -11.299
flat angles P-C4'-P energy: -7.182
tors. eta vs tors. theta energy: -7.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -135.006023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.006023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.006023 (E_RNA)
where:
Base-Base interactions energy: -92.041
where: short stacking energy: -34.844
Base-Backbone interact. energy: -0.036
local terms energy: -42.929415
where:
bonds (distance) C4'-P energy: -10.829
bonds (distance) P-C4' energy: -12.297
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -0.359
tors. eta vs tors. theta energy: -5.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -120.891816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.891816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.891816 (E_RNA)
where:
Base-Base interactions energy: -74.837
where: short stacking energy: -34.478
Base-Backbone interact. energy: -1.228
local terms energy: -44.826195
where:
bonds (distance) C4'-P energy: -7.195
bonds (distance) P-C4' energy: -10.141
flat angles C4'-P-C4' energy: -11.407
flat angles P-C4'-P energy: -7.235
tors. eta vs tors. theta energy: -8.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -74.492650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.492650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.492650 (E_RNA)
where:
Base-Base interactions energy: -39.257
where: short stacking energy: -12.727
Base-Backbone interact. energy: -0.253
local terms energy: -34.983038
where:
bonds (distance) C4'-P energy: -11.596
bonds (distance) P-C4' energy: -10.303
flat angles C4'-P-C4' energy: -7.284
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: 2.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -79.240605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.240605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.240605 (E_RNA)
where:
Base-Base interactions energy: -36.161
where: short stacking energy: -27.270
Base-Backbone interact. energy: 0.133
local terms energy: -43.212687
where:
bonds (distance) C4'-P energy: -11.141
bonds (distance) P-C4' energy: -9.970
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -6.612
tors. eta vs tors. theta energy: -4.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -76.749563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.749563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.749563 (E_RNA)
where:
Base-Base interactions energy: -37.049
where: short stacking energy: -35.987
Base-Backbone interact. energy: 1.562
local terms energy: -41.262875
where:
bonds (distance) C4'-P energy: -4.643
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -7.209
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -8.871
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: 365
Temperature: 1.300000
Total energy: -64.248341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.248341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.248341 (E_RNA)
where:
Base-Base interactions energy: -24.827
where: short stacking energy: -20.827
Base-Backbone interact. energy: 0.106
local terms energy: -39.526644
where:
bonds (distance) C4'-P energy: -9.360
bonds (distance) P-C4' energy: -10.746
flat angles C4'-P-C4' energy: -8.336
flat angles P-C4'-P energy: -7.701
tors. eta vs tors. theta energy: -3.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -52.192286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.192286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.192286 (E_RNA)
where:
Base-Base interactions energy: -17.359
where: short stacking energy: -16.473
Base-Backbone interact. energy: -0.085
local terms energy: -34.748544
where:
bonds (distance) C4'-P energy: -9.286
bonds (distance) P-C4' energy: -5.974
flat angles C4'-P-C4' energy: -11.526
flat angles P-C4'-P energy: -6.261
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: 1, replica: 5
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -140.826156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.826156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.826156 (E_RNA)
where:
Base-Base interactions energy: -90.276
where: short stacking energy: -20.297
Base-Backbone interact. energy: -0.114
local terms energy: -50.435372
where:
bonds (distance) C4'-P energy: -11.737
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -9.856
flat angles P-C4'-P energy: -8.561
tors. eta vs tors. theta energy: -7.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -152.063295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.063295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.063295 (E_RNA)
where:
Base-Base interactions energy: -104.540
where: short stacking energy: -40.930
Base-Backbone interact. energy: -0.023
local terms energy: -47.499686
where:
bonds (distance) C4'-P energy: -10.441
bonds (distance) P-C4' energy: -10.535
flat angles C4'-P-C4' energy: -10.944
flat angles P-C4'-P energy: -7.756
tors. eta vs tors. theta energy: -7.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -144.322157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.322157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.322157 (E_RNA)
where:
Base-Base interactions energy: -83.369
where: short stacking energy: -40.135
Base-Backbone interact. energy: -0.104
local terms energy: -60.849909
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -9.566
flat angles C4'-P-C4' energy: -11.774
flat angles P-C4'-P energy: -8.542
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: 4, replica: 6
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -131.667752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.667752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.667752 (E_RNA)
where:
Base-Base interactions energy: -80.330
where: short stacking energy: -36.279
Base-Backbone interact. energy: -0.815
local terms energy: -50.522087
where:
bonds (distance) C4'-P energy: -8.086
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -10.666
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -10.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -122.355139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.355139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.355139 (E_RNA)
where:
Base-Base interactions energy: -69.300
where: short stacking energy: -33.637
Base-Backbone interact. energy: -0.401
local terms energy: -52.653337
where:
bonds (distance) C4'-P energy: -8.011
bonds (distance) P-C4' energy: -12.319
flat angles C4'-P-C4' energy: -11.741
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -10.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -85.741513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.741513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.741513 (E_RNA)
where:
Base-Base interactions energy: -52.611
where: short stacking energy: -23.788
Base-Backbone interact. energy: -0.134
local terms energy: -32.996650
where:
bonds (distance) C4'-P energy: -9.194
bonds (distance) P-C4' energy: -11.400
flat angles C4'-P-C4' energy: -7.114
flat angles P-C4'-P energy: -5.391
tors. eta vs tors. theta energy: 0.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -65.728212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.728212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.728212 (E_RNA)
where:
Base-Base interactions energy: -25.218
where: short stacking energy: -25.218
Base-Backbone interact. energy: -0.039
local terms energy: -40.470685
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -11.117
flat angles C4'-P-C4' energy: -7.915
flat angles P-C4'-P energy: -2.515
tors. eta vs tors. theta energy: -6.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -73.422344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.422344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.422344 (E_RNA)
where:
Base-Base interactions energy: -36.820
where: short stacking energy: -19.772
Base-Backbone interact. energy: 0.001
local terms energy: -36.603139
where:
bonds (distance) C4'-P energy: -5.813
bonds (distance) P-C4' energy: -5.932
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -3.747
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: 1
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -60.981690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.981690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.981690 (E_RNA)
where:
Base-Base interactions energy: -19.630
where: short stacking energy: -15.029
Base-Backbone interact. energy: -0.184
local terms energy: -41.167252
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -11.578
flat angles C4'-P-C4' energy: -11.381
flat angles P-C4'-P energy: -5.225
tors. eta vs tors. theta energy: -1.862
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: 3
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -60.869281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.869281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.869281 (E_RNA)
where:
Base-Base interactions energy: -24.313
where: short stacking energy: -20.398
Base-Backbone interact. energy: 0.674
local terms energy: -37.230372
where:
bonds (distance) C4'-P energy: -12.755
bonds (distance) P-C4' energy: -8.412
flat angles C4'-P-C4' energy: -9.637
flat angles P-C4'-P energy: -5.699
tors. eta vs tors. theta energy: -0.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -140.379988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.379988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.379988 (E_RNA)
where:
Base-Base interactions energy: -87.958
where: short stacking energy: -32.221
Base-Backbone interact. energy: -0.047
local terms energy: -52.375886
where:
bonds (distance) C4'-P energy: -12.482
bonds (distance) P-C4' energy: -11.575
flat angles C4'-P-C4' energy: -12.680
flat angles P-C4'-P energy: -6.792
tors. eta vs tors. theta energy: -8.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -152.258061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.258061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.258061 (E_RNA)
where:
Base-Base interactions energy: -101.139
where: short stacking energy: -39.332
Base-Backbone interact. energy: -0.009
local terms energy: -51.110133
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -11.525
flat angles P-C4'-P energy: -2.608
tors. eta vs tors. theta energy: -12.000
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: 10
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -141.036523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.036523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.036523 (E_RNA)
where:
Base-Base interactions energy: -81.003
where: short stacking energy: -36.339
Base-Backbone interact. energy: -0.341
local terms energy: -59.692601
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -12.165
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -13.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -136.831045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.831045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.831045 (E_RNA)
where:
Base-Base interactions energy: -86.158
where: short stacking energy: -30.751
Base-Backbone interact. energy: -0.086
local terms energy: -50.587676
where:
bonds (distance) C4'-P energy: -13.086
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -8.991
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -7.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -141.109382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.109382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.109382 (E_RNA)
where:
Base-Base interactions energy: -95.574
where: short stacking energy: -33.014
Base-Backbone interact. energy: -0.079
local terms energy: -45.455821
where:
bonds (distance) C4'-P energy: -8.483
bonds (distance) P-C4' energy: -11.666
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -3.854
tors. eta vs tors. theta energy: -9.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -82.672954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.672954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.672954 (E_RNA)
where:
Base-Base interactions energy: -51.616
where: short stacking energy: -11.355
Base-Backbone interact. energy: -0.204
local terms energy: -30.852616
where:
bonds (distance) C4'-P energy: -7.443
bonds (distance) P-C4' energy: -11.675
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -0.739
tors. eta vs tors. theta energy: 1.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -65.827707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.827707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.827707 (E_RNA)
where:
Base-Base interactions energy: -19.971
where: short stacking energy: -17.944
Base-Backbone interact. energy: -0.021
local terms energy: -45.835834
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -8.465
flat angles P-C4'-P energy: -5.723
tors. eta vs tors. theta energy: -7.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -64.098518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.098518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.098518 (E_RNA)
where:
Base-Base interactions energy: -21.342
where: short stacking energy: -21.342
Base-Backbone interact. energy: -0.168
local terms energy: -42.588423
where:
bonds (distance) C4'-P energy: -7.544
bonds (distance) P-C4' energy: -8.928
flat angles C4'-P-C4' energy: -10.562
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -4.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -50.675888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.675888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.675888 (E_RNA)
where:
Base-Base interactions energy: -15.170
where: short stacking energy: -12.901
Base-Backbone interact. energy: -0.031
local terms energy: -35.474489
where:
bonds (distance) C4'-P energy: -10.056
bonds (distance) P-C4' energy: -8.915
flat angles C4'-P-C4' energy: -9.867
flat angles P-C4'-P energy: -5.726
tors. eta vs tors. theta energy: -0.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -62.007023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.007023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.007023 (E_RNA)
where:
Base-Base interactions energy: -29.552
where: short stacking energy: -17.643
Base-Backbone interact. energy: -0.681
local terms energy: -31.773824
where:
bonds (distance) C4'-P energy: -10.553
bonds (distance) P-C4' energy: -9.387
flat angles C4'-P-C4' energy: -5.954
flat angles P-C4'-P energy: -4.679
tors. eta vs tors. theta energy: -1.201
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: 5
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -157.049521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.049521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.049521 (E_RNA)
where:
Base-Base interactions energy: -103.636
where: short stacking energy: -42.833
Base-Backbone interact. energy: -0.022
local terms energy: -53.391803
where:
bonds (distance) C4'-P energy: -10.601
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -11.483
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -11.141
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: 9
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -148.422625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.422625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.422625 (E_RNA)
where:
Base-Base interactions energy: -97.680
where: short stacking energy: -42.702
Base-Backbone interact. energy: -0.108
local terms energy: -50.634301
where:
bonds (distance) C4'-P energy: -11.257
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -2.938
tors. eta vs tors. theta energy: -11.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -152.453243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.453243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.453243 (E_RNA)
where:
Base-Base interactions energy: -102.363
where: short stacking energy: -38.913
Base-Backbone interact. energy: -0.631
local terms energy: -49.459502
where:
bonds (distance) C4'-P energy: -11.315
bonds (distance) P-C4' energy: -10.453
flat angles C4'-P-C4' energy: -10.939
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: -9.000
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: 10
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -138.436696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.436696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.436696 (E_RNA)
where:
Base-Base interactions energy: -93.346
where: short stacking energy: -37.891
Base-Backbone interact. energy: -0.352
local terms energy: -44.738925
where:
bonds (distance) C4'-P energy: -10.511
bonds (distance) P-C4' energy: -10.203
flat angles C4'-P-C4' energy: -8.758
flat angles P-C4'-P energy: -5.875
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: 5, replica: 6
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -87.890755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.890755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.890755 (E_RNA)
where:
Base-Base interactions energy: -53.152
where: short stacking energy: -21.634
Base-Backbone interact. energy: -0.118
local terms energy: -34.620871
where:
bonds (distance) C4'-P energy: -11.338
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -8.517
flat angles P-C4'-P energy: -3.614
tors. eta vs tors. theta energy: 0.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -69.390144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.390144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.390144 (E_RNA)
where:
Base-Base interactions energy: -36.146
where: short stacking energy: -22.390
Base-Backbone interact. energy: -0.027
local terms energy: -33.217016
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -5.478
flat angles P-C4'-P energy: 2.159
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: 7, replica: 1
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -81.862505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.862505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.862505 (E_RNA)
where:
Base-Base interactions energy: -42.393
where: short stacking energy: -14.391
Base-Backbone interact. energy: -0.109
local terms energy: -39.361209
where:
bonds (distance) C4'-P energy: -10.118
bonds (distance) P-C4' energy: -10.788
flat angles C4'-P-C4' energy: -8.664
flat angles P-C4'-P energy: -7.311
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: 8, replica: 8
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -70.870647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.870647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.870647 (E_RNA)
where:
Base-Base interactions energy: -34.373
where: short stacking energy: -14.816
Base-Backbone interact. energy: -0.162
local terms energy: -36.335951
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -10.618
flat angles C4'-P-C4' energy: -5.844
flat angles P-C4'-P energy: -7.677
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: 3
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -58.072685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.072685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.072685 (E_RNA)
where:
Base-Base interactions energy: -17.761
where: short stacking energy: -13.386
Base-Backbone interact. energy: 0.265
local terms energy: -40.576857
where:
bonds (distance) C4'-P energy: -9.324
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -12.562
flat angles P-C4'-P energy: -4.827
tors. eta vs tors. theta energy: 0.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -63.656278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.656278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.656278 (E_RNA)
where:
Base-Base interactions energy: -32.417
where: short stacking energy: -16.592
Base-Backbone interact. energy: -0.069
local terms energy: -31.170063
where:
bonds (distance) C4'-P energy: -9.041
bonds (distance) P-C4' energy: -7.535
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -4.638
tors. eta vs tors. theta energy: 2.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -161.518435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.518435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.518435 (E_RNA)
where:
Base-Base interactions energy: -105.360
where: short stacking energy: -44.293
Base-Backbone interact. energy: -0.037
local terms energy: -56.121834
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -5.509
tors. eta vs tors. theta energy: -10.604
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: 4
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -158.612606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.612606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.612606 (E_RNA)
where:
Base-Base interactions energy: -106.833
where: short stacking energy: -37.864
Base-Backbone interact. energy: 1.123
local terms energy: -52.902906
where:
bonds (distance) C4'-P energy: -11.360
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -10.497
flat angles P-C4'-P energy: -5.941
tors. eta vs tors. theta energy: -12.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -139.343992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.343992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.343992 (E_RNA)
where:
Base-Base interactions energy: -83.814
where: short stacking energy: -30.343
Base-Backbone interact. energy: -0.023
local terms energy: -55.506661
where:
bonds (distance) C4'-P energy: -11.613
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -4.969
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: 4, replica: 6
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -115.591336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.591336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.591336 (E_RNA)
where:
Base-Base interactions energy: -63.839
where: short stacking energy: -24.785
Base-Backbone interact. energy: -0.296
local terms energy: -51.455737
where:
bonds (distance) C4'-P energy: -11.410
bonds (distance) P-C4' energy: -13.230
flat angles C4'-P-C4' energy: -10.209
flat angles P-C4'-P energy: -7.910
tors. eta vs tors. theta energy: -8.696
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: 10
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -135.143061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.143061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.143061 (E_RNA)
where:
Base-Base interactions energy: -88.054
where: short stacking energy: -40.397
Base-Backbone interact. energy: -0.365
local terms energy: -46.724597
where:
bonds (distance) C4'-P energy: -7.058
bonds (distance) P-C4' energy: -9.481
flat angles C4'-P-C4' energy: -11.905
flat angles P-C4'-P energy: -7.443
tors. eta vs tors. theta energy: -10.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -69.693756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.693756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.693756 (E_RNA)
where:
Base-Base interactions energy: -24.377
where: short stacking energy: -24.377
Base-Backbone interact. energy: -0.002
local terms energy: -45.314290
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -12.165
flat angles P-C4'-P energy: -3.283
tors. eta vs tors. theta energy: -2.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -80.385694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.385694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.385694 (E_RNA)
where:
Base-Base interactions energy: -37.046
where: short stacking energy: -18.965
Base-Backbone interact. energy: -0.099
local terms energy: -43.241009
where:
bonds (distance) C4'-P energy: -10.963
bonds (distance) P-C4' energy: -14.693
flat angles C4'-P-C4' energy: -9.639
flat angles P-C4'-P energy: -6.915
tors. eta vs tors. theta energy: -1.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -67.130664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.130664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.130664 (E_RNA)
where:
Base-Base interactions energy: -27.169
where: short stacking energy: -15.648
Base-Backbone interact. energy: -0.162
local terms energy: -39.800191
where:
bonds (distance) C4'-P energy: -11.778
bonds (distance) P-C4' energy: -12.080
flat angles C4'-P-C4' energy: -7.397
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -0.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -67.857081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.857081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.857081 (E_RNA)
where:
Base-Base interactions energy: -28.169
where: short stacking energy: -14.868
Base-Backbone interact. energy: -0.223
local terms energy: -39.464730
where:
bonds (distance) C4'-P energy: -9.497
bonds (distance) P-C4' energy: -9.930
flat angles C4'-P-C4' energy: -9.452
flat angles P-C4'-P energy: -8.047
tors. eta vs tors. theta energy: -2.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -56.405428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.405428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.405428 (E_RNA)
where:
Base-Base interactions energy: -17.206
where: short stacking energy: -16.006
Base-Backbone interact. energy: 0.035
local terms energy: -39.233967
where:
bonds (distance) C4'-P energy: -9.675
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -7.777
flat angles P-C4'-P energy: -1.683
tors. eta vs tors. theta energy: -6.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -149.934194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.934194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.934194 (E_RNA)
where:
Base-Base interactions energy: -99.639
where: short stacking energy: -39.109
Base-Backbone interact. energy: -0.165
local terms energy: -50.130065
where:
bonds (distance) C4'-P energy: -8.405
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -10.489
flat angles P-C4'-P energy: -4.162
tors. eta vs tors. theta energy: -13.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -150.467418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.467418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.467418 (E_RNA)
where:
Base-Base interactions energy: -99.049
where: short stacking energy: -32.457
Base-Backbone interact. energy: -0.101
local terms energy: -51.317426
where:
bonds (distance) C4'-P energy: -8.238
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -7.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -123.757987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.757987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.757987 (E_RNA)
where:
Base-Base interactions energy: -72.663
where: short stacking energy: -31.224
Base-Backbone interact. energy: -0.058
local terms energy: -51.036491
where:
bonds (distance) C4'-P energy: -11.082
bonds (distance) P-C4' energy: -11.836
flat angles C4'-P-C4' energy: -11.445
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -7.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -130.240950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.240950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.240950 (E_RNA)
where:
Base-Base interactions energy: -92.690
where: short stacking energy: -31.591
Base-Backbone interact. energy: -0.108
local terms energy: -37.442164
where:
bonds (distance) C4'-P energy: -12.453
bonds (distance) P-C4' energy: -9.037
flat angles C4'-P-C4' energy: -4.890
flat angles P-C4'-P energy: -2.872
tors. eta vs tors. theta energy: -8.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -70.421152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.421152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.421152 (E_RNA)
where:
Base-Base interactions energy: -26.398
where: short stacking energy: -24.397
Base-Backbone interact. energy: -0.910
local terms energy: -43.113769
where:
bonds (distance) C4'-P energy: -9.825
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -10.642
flat angles P-C4'-P energy: -1.766
tors. eta vs tors. theta energy: -7.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -121.382104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.382104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.382104 (E_RNA)
where:
Base-Base interactions energy: -73.511
where: short stacking energy: -27.882
Base-Backbone interact. energy: -0.003
local terms energy: -47.868187
where:
bonds (distance) C4'-P energy: -8.335
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -5.177
tors. eta vs tors. theta energy: -8.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -67.350338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.350338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.350338 (E_RNA)
where:
Base-Base interactions energy: -30.954
where: short stacking energy: -20.047
Base-Backbone interact. energy: -0.060
local terms energy: -36.335683
where:
bonds (distance) C4'-P energy: -9.045
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -9.035
flat angles P-C4'-P energy: -3.483
tors. eta vs tors. theta energy: -2.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -71.321818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.321818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.321818 (E_RNA)
where:
Base-Base interactions energy: -36.496
where: short stacking energy: -15.033
Base-Backbone interact. energy: -0.086
local terms energy: -34.740227
where:
bonds (distance) C4'-P energy: -5.337
bonds (distance) P-C4' energy: -11.332
flat angles C4'-P-C4' energy: -11.419
flat angles P-C4'-P energy: -5.788
tors. eta vs tors. theta energy: -0.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -66.926158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.926158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.926158 (E_RNA)
where:
Base-Base interactions energy: -22.251
where: short stacking energy: -21.578
Base-Backbone interact. energy: -0.068
local terms energy: -44.606677
where:
bonds (distance) C4'-P energy: -11.037
bonds (distance) P-C4' energy: -8.796
flat angles C4'-P-C4' energy: -9.413
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -6.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -56.966368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.966368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.966368 (E_RNA)
where:
Base-Base interactions energy: -16.323
where: short stacking energy: -16.323
Base-Backbone interact. energy: -0.060
local terms energy: -40.583169
where:
bonds (distance) C4'-P energy: -6.267
bonds (distance) P-C4' energy: -10.998
flat angles C4'-P-C4' energy: -8.981
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: -7.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -157.194386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.194386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.194386 (E_RNA)
where:
Base-Base interactions energy: -101.899
where: short stacking energy: -45.522
Base-Backbone interact. energy: -0.004
local terms energy: -55.292059
where:
bonds (distance) C4'-P energy: -10.482
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -10.627
flat angles P-C4'-P energy: -7.935
tors. eta vs tors. theta energy: -12.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -153.464967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.464967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.464967 (E_RNA)
where:
Base-Base interactions energy: -98.859
where: short stacking energy: -38.034
Base-Backbone interact. energy: -0.210
local terms energy: -54.396164
where:
bonds (distance) C4'-P energy: -10.155
bonds (distance) P-C4' energy: -10.555
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -8.153
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: 3, replica: 6
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -122.992983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.992983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.992983 (E_RNA)
where:
Base-Base interactions energy: -69.953
where: short stacking energy: -38.941
Base-Backbone interact. energy: -0.177
local terms energy: -52.863386
where:
bonds (distance) C4'-P energy: -13.037
bonds (distance) P-C4' energy: -6.816
flat angles C4'-P-C4' energy: -11.163
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -11.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -147.072096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.072096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.072096 (E_RNA)
where:
Base-Base interactions energy: -90.464
where: short stacking energy: -32.330
Base-Backbone interact. energy: -0.131
local terms energy: -56.476354
where:
bonds (distance) C4'-P energy: -12.325
bonds (distance) P-C4' energy: -11.430
flat angles C4'-P-C4' energy: -11.221
flat angles P-C4'-P energy: -8.202
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: 5, replica: 1
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -67.002636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.002636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.002636 (E_RNA)
where:
Base-Base interactions energy: -29.665
where: short stacking energy: -19.126
Base-Backbone interact. energy: -0.132
local terms energy: -37.204768
where:
bonds (distance) C4'-P energy: -11.526
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -7.910
flat angles P-C4'-P energy: -2.445
tors. eta vs tors. theta energy: -2.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -134.583544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.583544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.583544 (E_RNA)
where:
Base-Base interactions energy: -88.644
where: short stacking energy: -35.424
Base-Backbone interact. energy: -0.142
local terms energy: -45.797133
where:
bonds (distance) C4'-P energy: -10.400
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -11.634
flat angles P-C4'-P energy: -4.040
tors. eta vs tors. theta energy: -7.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -62.043221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.043221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.043221 (E_RNA)
where:
Base-Base interactions energy: -24.093
where: short stacking energy: -19.891
Base-Backbone interact. energy: 1.204
local terms energy: -39.154271
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -8.217
flat angles C4'-P-C4' energy: -8.196
flat angles P-C4'-P energy: -7.203
tors. eta vs tors. theta energy: -3.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -69.947029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.947029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.947029 (E_RNA)
where:
Base-Base interactions energy: -42.376
where: short stacking energy: -13.970
Base-Backbone interact. energy: -0.130
local terms energy: -27.441519
where:
bonds (distance) C4'-P energy: -1.996
bonds (distance) P-C4' energy: -8.746
flat angles C4'-P-C4' energy: -10.987
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: 2.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -61.511561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.511561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.511561 (E_RNA)
where:
Base-Base interactions energy: -29.071
where: short stacking energy: -18.182
Base-Backbone interact. energy: 2.008
local terms energy: -34.448980
where:
bonds (distance) C4'-P energy: -8.255
bonds (distance) P-C4' energy: -10.964
flat angles C4'-P-C4' energy: -10.271
flat angles P-C4'-P energy: -6.187
tors. eta vs tors. theta energy: 1.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -56.234814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.234814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.234814 (E_RNA)
where:
Base-Base interactions energy: -19.104
where: short stacking energy: -14.274
Base-Backbone interact. energy: -0.077
local terms energy: -37.054535
where:
bonds (distance) C4'-P energy: -7.432
bonds (distance) P-C4' energy: -10.437
flat angles C4'-P-C4' energy: -9.475
flat angles P-C4'-P energy: -5.705
tors. eta vs tors. theta energy: -4.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -151.526890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.526890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.526890 (E_RNA)
where:
Base-Base interactions energy: -96.546
where: short stacking energy: -36.893
Base-Backbone interact. energy: -0.023
local terms energy: -54.957953
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -10.743
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -5.711
tors. eta vs tors. theta energy: -10.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -154.785585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.785585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.785585 (E_RNA)
where:
Base-Base interactions energy: -99.734
where: short stacking energy: -31.547
Base-Backbone interact. energy: -0.209
local terms energy: -54.842993
where:
bonds (distance) C4'-P energy: -11.614
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -8.725
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: 3, replica: 9
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -141.757119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.757119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.757119 (E_RNA)
where:
Base-Base interactions energy: -89.805
where: short stacking energy: -33.444
Base-Backbone interact. energy: -0.100
local terms energy: -51.851961
where:
bonds (distance) C4'-P energy: -10.859
bonds (distance) P-C4' energy: -12.645
flat angles C4'-P-C4' energy: -10.488
flat angles P-C4'-P energy: -4.112
tors. eta vs tors. theta energy: -13.748
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: 6
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -119.982572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.982572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.982572 (E_RNA)
where:
Base-Base interactions energy: -64.567
where: short stacking energy: -38.236
Base-Backbone interact. energy: -0.008
local terms energy: -55.407123
where:
bonds (distance) C4'-P energy: -9.683
bonds (distance) P-C4' energy: -12.463
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -10.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -139.339089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.339089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.339089 (E_RNA)
where:
Base-Base interactions energy: -90.444
where: short stacking energy: -41.647
Base-Backbone interact. energy: -0.004
local terms energy: -48.891579
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -6.033
tors. eta vs tors. theta energy: -10.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -72.975783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.975783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.975783 (E_RNA)
where:
Base-Base interactions energy: -34.135
where: short stacking energy: -22.823
Base-Backbone interact. energy: -0.054
local terms energy: -38.786905
where:
bonds (distance) C4'-P energy: -10.678
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -5.476
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: -2.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -73.791279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.791279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.791279 (E_RNA)
where:
Base-Base interactions energy: -31.479
where: short stacking energy: -17.918
Base-Backbone interact. energy: -0.237
local terms energy: -42.075411
where:
bonds (distance) C4'-P energy: -8.776
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -8.604
flat angles P-C4'-P energy: -6.780
tors. eta vs tors. theta energy: -5.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -63.435533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.435533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.435533 (E_RNA)
where:
Base-Base interactions energy: -26.113
where: short stacking energy: -13.198
Base-Backbone interact. energy: -0.100
local terms energy: -37.222096
where:
bonds (distance) C4'-P energy: -10.438
bonds (distance) P-C4' energy: -9.865
flat angles C4'-P-C4' energy: -11.375
flat angles P-C4'-P energy: -5.307
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: 9, replica: 3
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -62.236836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.236836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.236836 (E_RNA)
where:
Base-Base interactions energy: -17.808
where: short stacking energy: -15.948
Base-Backbone interact. energy: 0.175
local terms energy: -44.603731
where:
bonds (distance) C4'-P energy: -9.952
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -11.934
flat angles P-C4'-P energy: -4.045
tors. eta vs tors. theta energy: -4.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -54.385390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.385390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.385390 (E_RNA)
where:
Base-Base interactions energy: -20.439
where: short stacking energy: -20.439
Base-Backbone interact. energy: -0.003
local terms energy: -33.944117
where:
bonds (distance) C4'-P energy: -10.599
bonds (distance) P-C4' energy: -11.537
flat angles C4'-P-C4' energy: -4.281
flat angles P-C4'-P energy: -6.113
tors. eta vs tors. theta energy: -1.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -157.086530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.086530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.086530 (E_RNA)
where:
Base-Base interactions energy: -100.787
where: short stacking energy: -29.370
Base-Backbone interact. energy: 0.250
local terms energy: -56.549818
where:
bonds (distance) C4'-P energy: -12.503
bonds (distance) P-C4' energy: -9.580
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -7.268
tors. eta vs tors. theta energy: -13.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -160.576921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.576921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.576921 (E_RNA)
where:
Base-Base interactions energy: -104.999
where: short stacking energy: -39.180
Base-Backbone interact. energy: -0.032
local terms energy: -55.545334
where:
bonds (distance) C4'-P energy: -9.885
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -11.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -136.636494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.636494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.636494 (E_RNA)
where:
Base-Base interactions energy: -85.163
where: short stacking energy: -42.294
Base-Backbone interact. energy: -0.020
local terms energy: -51.452750
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -8.932
flat angles C4'-P-C4' energy: -10.887
flat angles P-C4'-P energy: -7.961
tors. eta vs tors. theta energy: -12.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -142.116649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.116649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.116649 (E_RNA)
where:
Base-Base interactions energy: -97.362
where: short stacking energy: -30.578
Base-Backbone interact. energy: -0.008
local terms energy: -44.747359
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -10.408
flat angles C4'-P-C4' energy: -10.706
flat angles P-C4'-P energy: -3.556
tors. eta vs tors. theta energy: -7.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -120.194247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.194247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.194247 (E_RNA)
where:
Base-Base interactions energy: -67.499
where: short stacking energy: -29.144
Base-Backbone interact. energy: -0.011
local terms energy: -52.684096
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -9.263
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -7.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -66.876145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.876145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.876145 (E_RNA)
where:
Base-Base interactions energy: -23.853
where: short stacking energy: -23.763
Base-Backbone interact. energy: -0.033
local terms energy: -42.990522
where:
bonds (distance) C4'-P energy: -11.319
bonds (distance) P-C4' energy: -7.262
flat angles C4'-P-C4' energy: -10.263
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -4.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -68.290806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.290806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.290806 (E_RNA)
where:
Base-Base interactions energy: -26.597
where: short stacking energy: -13.520
Base-Backbone interact. energy: -0.117
local terms energy: -41.577249
where:
bonds (distance) C4'-P energy: -11.774
bonds (distance) P-C4' energy: -9.408
flat angles C4'-P-C4' energy: -12.118
flat angles P-C4'-P energy: -6.155
tors. eta vs tors. theta energy: -2.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -56.867281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.867281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.867281 (E_RNA)
where:
Base-Base interactions energy: -26.917
where: short stacking energy: -11.814
Base-Backbone interact. energy: 0.902
local terms energy: -30.852250
where:
bonds (distance) C4'-P energy: -10.602
bonds (distance) P-C4' energy: -10.196
flat angles C4'-P-C4' energy: -10.342
flat angles P-C4'-P energy: -4.094
tors. eta vs tors. theta energy: 4.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -67.216996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.216996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.216996 (E_RNA)
where:
Base-Base interactions energy: -30.665
where: short stacking energy: -13.131
Base-Backbone interact. energy: -0.529
local terms energy: -36.023205
where:
bonds (distance) C4'-P energy: -12.714
bonds (distance) P-C4' energy: -7.688
flat angles C4'-P-C4' energy: -10.865
flat angles P-C4'-P energy: -8.031
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: 2
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -59.835305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.835305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.835305 (E_RNA)
where:
Base-Base interactions energy: -26.997
where: short stacking energy: -13.305
Base-Backbone interact. energy: -0.180
local terms energy: -32.658135
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -5.379
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: 1.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -154.714190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.714190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.714190 (E_RNA)
where:
Base-Base interactions energy: -101.953
where: short stacking energy: -38.852
Base-Backbone interact. energy: -0.003
local terms energy: -52.757769
where:
bonds (distance) C4'-P energy: -11.815
bonds (distance) P-C4' energy: -10.348
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -6.850
tors. eta vs tors. theta energy: -11.234
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: 5
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -152.125341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.125341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.125341 (E_RNA)
where:
Base-Base interactions energy: -100.208
where: short stacking energy: -37.220
Base-Backbone interact. energy: 0.356
local terms energy: -52.273168
where:
bonds (distance) C4'-P energy: -12.854
bonds (distance) P-C4' energy: -9.924
flat angles C4'-P-C4' energy: -10.844
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -9.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -145.035807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.035807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.035807 (E_RNA)
where:
Base-Base interactions energy: -96.252
where: short stacking energy: -34.100
Base-Backbone interact. energy: -0.010
local terms energy: -48.773701
where:
bonds (distance) C4'-P energy: -10.909
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -9.453
flat angles P-C4'-P energy: -4.213
tors. eta vs tors. theta energy: -10.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -139.159230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.159230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.159230 (E_RNA)
where:
Base-Base interactions energy: -87.598
where: short stacking energy: -32.906
Base-Backbone interact. energy: -0.016
local terms energy: -51.545235
where:
bonds (distance) C4'-P energy: -9.882
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -12.665
flat angles P-C4'-P energy: -5.245
tors. eta vs tors. theta energy: -11.617
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: 1
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -71.758489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.758489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.758489 (E_RNA)
where:
Base-Base interactions energy: -29.736
where: short stacking energy: -29.736
Base-Backbone interact. energy: -0.108
local terms energy: -41.915003
where:
bonds (distance) C4'-P energy: -10.971
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -8.886
flat angles P-C4'-P energy: -1.466
tors. eta vs tors. theta energy: -8.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -124.282694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.282694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.282694 (E_RNA)
where:
Base-Base interactions energy: -71.115
where: short stacking energy: -26.957
Base-Backbone interact. energy: -0.458
local terms energy: -52.710112
where:
bonds (distance) C4'-P energy: -12.834
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -10.355
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -9.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -68.136084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.136084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.136084 (E_RNA)
where:
Base-Base interactions energy: -34.069
where: short stacking energy: -21.163
Base-Backbone interact. energy: -0.142
local terms energy: -33.924966
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -9.041
flat angles C4'-P-C4' energy: -9.603
flat angles P-C4'-P energy: -4.349
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: 8, replica: 7
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -76.627217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.627217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.627217 (E_RNA)
where:
Base-Base interactions energy: -29.947
where: short stacking energy: -18.930
Base-Backbone interact. energy: -0.066
local terms energy: -46.614513
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -10.096
flat angles P-C4'-P energy: -6.908
tors. eta vs tors. theta energy: -4.637
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: 9, replica: 2
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -63.993745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.993745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.993745 (E_RNA)
where:
Base-Base interactions energy: -23.684
where: short stacking energy: -14.482
Base-Backbone interact. energy: -0.808
local terms energy: -39.501456
where:
bonds (distance) C4'-P energy: -11.410
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -7.745
flat angles P-C4'-P energy: -6.082
tors. eta vs tors. theta energy: -0.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -59.822704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.822704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.822704 (E_RNA)
where:
Base-Base interactions energy: -26.253
where: short stacking energy: -21.372
Base-Backbone interact. energy: -0.102
local terms energy: -33.467086
where:
bonds (distance) C4'-P energy: -3.959
bonds (distance) P-C4' energy: -7.268
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -2.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -149.889610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.889610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.889610 (E_RNA)
where:
Base-Base interactions energy: -100.439
where: short stacking energy: -40.605
Base-Backbone interact. energy: -0.005
local terms energy: -49.445900
where:
bonds (distance) C4'-P energy: -10.090
bonds (distance) P-C4' energy: -12.010
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -3.884
tors. eta vs tors. theta energy: -9.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -149.968860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.968860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.968860 (E_RNA)
where:
Base-Base interactions energy: -101.735
where: short stacking energy: -32.847
Base-Backbone interact. energy: -0.058
local terms energy: -48.176188
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -11.296
flat angles C4'-P-C4' energy: -8.966
flat angles P-C4'-P energy: -5.161
tors. eta vs tors. theta energy: -11.393
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: 5
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -142.567837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.567837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.567837 (E_RNA)
where:
Base-Base interactions energy: -94.424
where: short stacking energy: -38.335
Base-Backbone interact. energy: -0.003
local terms energy: -48.140926
where:
bonds (distance) C4'-P energy: -13.094
bonds (distance) P-C4' energy: -10.526
flat angles C4'-P-C4' energy: -11.547
flat angles P-C4'-P energy: -2.445
tors. eta vs tors. theta energy: -10.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -127.040021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.040021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.040021 (E_RNA)
where:
Base-Base interactions energy: -76.154
where: short stacking energy: -32.248
Base-Backbone interact. energy: -0.003
local terms energy: -50.884005
where:
bonds (distance) C4'-P energy: -10.601
bonds (distance) P-C4' energy: -10.048
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -6.405
tors. eta vs tors. theta energy: -10.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -69.048161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.048161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.048161 (E_RNA)
where:
Base-Base interactions energy: -29.925
where: short stacking energy: -9.849
Base-Backbone interact. energy: -0.006
local terms energy: -39.116570
where:
bonds (distance) C4'-P energy: -8.648
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -10.182
flat angles P-C4'-P energy: -8.839
tors. eta vs tors. theta energy: 1.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -127.992435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.992435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.992435 (E_RNA)
where:
Base-Base interactions energy: -73.545
where: short stacking energy: -30.501
Base-Backbone interact. energy: -0.158
local terms energy: -54.289696
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -12.406
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -7.585
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: 7, replica: 3
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -132.557799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.557799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.557799 (E_RNA)
where:
Base-Base interactions energy: -78.027
where: short stacking energy: -32.175
Base-Backbone interact. energy: -0.133
local terms energy: -54.397881
where:
bonds (distance) C4'-P energy: -12.615
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -4.537
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: 2
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -65.639277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.639277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.639277 (E_RNA)
where:
Base-Base interactions energy: -23.842
where: short stacking energy: -10.564
Base-Backbone interact. energy: 0.599
local terms energy: -42.397008
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -8.537
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: 0.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -53.709670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.709670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.709670 (E_RNA)
where:
Base-Base interactions energy: -23.439
where: short stacking energy: -8.695
Base-Backbone interact. energy: -0.325
local terms energy: -29.946212
where:
bonds (distance) C4'-P energy: -5.605
bonds (distance) P-C4' energy: -8.178
flat angles C4'-P-C4' energy: -10.818
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: 3.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -67.447814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.447814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.447814 (E_RNA)
where:
Base-Base interactions energy: -24.941
where: short stacking energy: -10.793
Base-Backbone interact. energy: -0.087
local terms energy: -42.419900
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -10.858
flat angles C4'-P-C4' energy: -11.394
flat angles P-C4'-P energy: -6.750
tors. eta vs tors. theta energy: -0.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -157.714128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.714128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.714128 (E_RNA)
where:
Base-Base interactions energy: -103.185
where: short stacking energy: -35.530
Base-Backbone interact. energy: -0.032
local terms energy: -54.497642
where:
bonds (distance) C4'-P energy: -9.249
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: -14.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -150.061026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.061026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.061026 (E_RNA)
where:
Base-Base interactions energy: -99.835
where: short stacking energy: -37.821
Base-Backbone interact. energy: -0.156
local terms energy: -50.070563
where:
bonds (distance) C4'-P energy: -10.599
bonds (distance) P-C4' energy: -10.630
flat angles C4'-P-C4' energy: -10.966
flat angles P-C4'-P energy: -6.810
tors. eta vs tors. theta energy: -11.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -146.427623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.427623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.427623 (E_RNA)
where:
Base-Base interactions energy: -87.758
where: short stacking energy: -37.048
Base-Backbone interact. energy: -0.106
local terms energy: -58.564322
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -7.686
tors. eta vs tors. theta energy: -13.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -136.885784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.885784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.885784 (E_RNA)
where:
Base-Base interactions energy: -89.468
where: short stacking energy: -33.226
Base-Backbone interact. energy: -0.047
local terms energy: -47.371061
where:
bonds (distance) C4'-P energy: -9.976
bonds (distance) P-C4' energy: -11.119
flat angles C4'-P-C4' energy: -8.195
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -8.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -128.722092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.722092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.722092 (E_RNA)
where:
Base-Base interactions energy: -86.075
where: short stacking energy: -25.272
Base-Backbone interact. energy: -0.043
local terms energy: -42.603938
where:
bonds (distance) C4'-P energy: -10.217
bonds (distance) P-C4' energy: -9.876
flat angles C4'-P-C4' energy: -11.961
flat angles P-C4'-P energy: -4.846
tors. eta vs tors. theta energy: -5.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -64.474010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.474010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.474010 (E_RNA)
where:
Base-Base interactions energy: -28.608
where: short stacking energy: -21.435
Base-Backbone interact. energy: -0.914
local terms energy: -34.951956
where:
bonds (distance) C4'-P energy: -9.427
bonds (distance) P-C4' energy: -10.558
flat angles C4'-P-C4' energy: -8.128
flat angles P-C4'-P energy: -7.010
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: 7, replica: 2
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -64.447719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.447719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.447719 (E_RNA)
where:
Base-Base interactions energy: -18.419
where: short stacking energy: -18.419
Base-Backbone interact. energy: -0.101
local terms energy: -45.927659
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -10.823
flat angles C4'-P-C4' energy: -10.914
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -3.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -108.664185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.664185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.664185 (E_RNA)
where:
Base-Base interactions energy: -61.348
where: short stacking energy: -26.578
Base-Backbone interact. energy: -0.120
local terms energy: -47.196419
where:
bonds (distance) C4'-P energy: -9.916
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -5.425
tors. eta vs tors. theta energy: -7.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -68.373446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.373446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.373446 (E_RNA)
where:
Base-Base interactions energy: -28.197
where: short stacking energy: -22.921
Base-Backbone interact. energy: -0.972
local terms energy: -39.205374
where:
bonds (distance) C4'-P energy: -6.348
bonds (distance) P-C4' energy: -6.311
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: -6.281
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: 10, replica: 7
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -57.170943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.170943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.170943 (E_RNA)
where:
Base-Base interactions energy: -24.262
where: short stacking energy: -6.107
Base-Backbone interact. energy: -0.152
local terms energy: -32.757611
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -11.041
flat angles C4'-P-C4' energy: -4.986
flat angles P-C4'-P energy: -5.612
tors. eta vs tors. theta energy: 3.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -166.408352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.408352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.408352 (E_RNA)
where:
Base-Base interactions energy: -114.170
where: short stacking energy: -42.156
Base-Backbone interact. energy: -0.010
local terms energy: -52.228404
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -10.322
flat angles C4'-P-C4' energy: -10.917
flat angles P-C4'-P energy: -6.370
tors. eta vs tors. theta energy: -13.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -130.246114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.246114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.246114 (E_RNA)
where:
Base-Base interactions energy: -80.609
where: short stacking energy: -28.006
Base-Backbone interact. energy: -0.178
local terms energy: -49.458681
where:
bonds (distance) C4'-P energy: -11.418
bonds (distance) P-C4' energy: -12.519
flat angles C4'-P-C4' energy: -10.897
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -5.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -138.716924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.716924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.716924 (E_RNA)
where:
Base-Base interactions energy: -89.291
where: short stacking energy: -22.573
Base-Backbone interact. energy: -0.013
local terms energy: -49.413393
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -7.964
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -5.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -128.633868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.633868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.633868 (E_RNA)
where:
Base-Base interactions energy: -83.620
where: short stacking energy: -32.948
Base-Backbone interact. energy: -0.005
local terms energy: -45.009421
where:
bonds (distance) C4'-P energy: -10.947
bonds (distance) P-C4' energy: -5.758
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -7.133
tors. eta vs tors. theta energy: -9.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -133.126894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.126894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.126894 (E_RNA)
where:
Base-Base interactions energy: -82.880
where: short stacking energy: -35.976
Base-Backbone interact. energy: -0.109
local terms energy: -50.137653
where:
bonds (distance) C4'-P energy: -9.780
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -9.320
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -10.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -62.587316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.587316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.587316 (E_RNA)
where:
Base-Base interactions energy: -22.493
where: short stacking energy: -21.736
Base-Backbone interact. energy: -0.205
local terms energy: -39.889030
where:
bonds (distance) C4'-P energy: -10.801
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -9.819
flat angles P-C4'-P energy: -6.114
tors. eta vs tors. theta energy: -1.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -63.121712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.121712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.121712 (E_RNA)
where:
Base-Base interactions energy: -22.258
where: short stacking energy: -21.406
Base-Backbone interact. energy: -0.019
local terms energy: -40.844504
where:
bonds (distance) C4'-P energy: -10.189
bonds (distance) P-C4' energy: -11.820
flat angles C4'-P-C4' energy: -9.653
flat angles P-C4'-P energy: -4.378
tors. eta vs tors. theta energy: -4.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -100.115314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.115314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.115314 (E_RNA)
where:
Base-Base interactions energy: -58.591
where: short stacking energy: -23.092
Base-Backbone interact. energy: 0.490
local terms energy: -42.014080
where:
bonds (distance) C4'-P energy: -9.596
bonds (distance) P-C4' energy: -11.676
flat angles C4'-P-C4' energy: -8.869
flat angles P-C4'-P energy: -5.747
tors. eta vs tors. theta energy: -6.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -53.841075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.841075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.841075 (E_RNA)
where:
Base-Base interactions energy: -15.960
where: short stacking energy: -15.127
Base-Backbone interact. energy: 1.064
local terms energy: -38.944689
where:
bonds (distance) C4'-P energy: -10.909
bonds (distance) P-C4' energy: -6.487
flat angles C4'-P-C4' energy: -12.009
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -1.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -57.615878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.615878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.615878 (E_RNA)
where:
Base-Base interactions energy: -27.181
where: short stacking energy: -8.250
Base-Backbone interact. energy: -0.697
local terms energy: -29.738556
where:
bonds (distance) C4'-P energy: -9.517
bonds (distance) P-C4' energy: -9.520
flat angles C4'-P-C4' energy: -9.293
flat angles P-C4'-P energy: -5.061
tors. eta vs tors. theta energy: 3.653
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: 10
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -147.767848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.767848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.767848 (E_RNA)
where:
Base-Base interactions energy: -94.316
where: short stacking energy: -47.142
Base-Backbone interact. energy: 0.005
local terms energy: -53.457062
where:
bonds (distance) C4'-P energy: -9.068
bonds (distance) P-C4' energy: -12.891
flat angles C4'-P-C4' energy: -9.153
flat angles P-C4'-P energy: -5.821
tors. eta vs tors. theta energy: -16.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -149.729004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.729004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.729004 (E_RNA)
where:
Base-Base interactions energy: -97.380
where: short stacking energy: -41.202
Base-Backbone interact. energy: -0.003
local terms energy: -52.346326
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -10.370
flat angles P-C4'-P energy: -6.047
tors. eta vs tors. theta energy: -11.452
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: -151.071825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.071825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.071825 (E_RNA)
where:
Base-Base interactions energy: -99.476
where: short stacking energy: -39.339
Base-Backbone interact. energy: -0.013
local terms energy: -51.583021
where:
bonds (distance) C4'-P energy: -11.488
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -10.179
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -7.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -134.390088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.390088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.390088 (E_RNA)
where:
Base-Base interactions energy: -76.314
where: short stacking energy: -32.444
Base-Backbone interact. energy: -0.000
local terms energy: -58.076255
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -6.762
tors. eta vs tors. theta energy: -13.165
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: 5, replica: 5
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -127.424864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.424864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.424864 (E_RNA)
where:
Base-Base interactions energy: -79.166
where: short stacking energy: -26.797
Base-Backbone interact. energy: -0.118
local terms energy: -48.140858
where:
bonds (distance) C4'-P energy: -11.079
bonds (distance) P-C4' energy: -11.927
flat angles C4'-P-C4' energy: -8.107
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -8.173
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: 2
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -68.846711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.846711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.846711 (E_RNA)
where:
Base-Base interactions energy: -27.567
where: short stacking energy: -14.956
Base-Backbone interact. energy: -0.110
local terms energy: -41.169897
where:
bonds (distance) C4'-P energy: -11.319
bonds (distance) P-C4' energy: -8.576
flat angles C4'-P-C4' energy: -9.073
flat angles P-C4'-P energy: -7.480
tors. eta vs tors. theta energy: -4.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -65.197643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.197643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.197643 (E_RNA)
where:
Base-Base interactions energy: -22.607
where: short stacking energy: -22.607
Base-Backbone interact. energy: 0.661
local terms energy: -43.251654
where:
bonds (distance) C4'-P energy: -9.709
bonds (distance) P-C4' energy: -10.664
flat angles C4'-P-C4' energy: -10.171
flat angles P-C4'-P energy: -6.113
tors. eta vs tors. theta energy: -6.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -63.154445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.154445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.154445 (E_RNA)
where:
Base-Base interactions energy: -22.569
where: short stacking energy: -12.582
Base-Backbone interact. energy: -0.134
local terms energy: -40.451430
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -11.475
flat angles C4'-P-C4' energy: -8.711
flat angles P-C4'-P energy: -5.846
tors. eta vs tors. theta energy: -1.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -70.550372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.550372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.550372 (E_RNA)
where:
Base-Base interactions energy: -27.023
where: short stacking energy: -27.023
Base-Backbone interact. energy: -0.138
local terms energy: -43.389752
where:
bonds (distance) C4'-P energy: -10.669
bonds (distance) P-C4' energy: -7.418
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -2.441
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: 8
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -54.856631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.856631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.856631 (E_RNA)
where:
Base-Base interactions energy: -18.495
where: short stacking energy: -19.363
Base-Backbone interact. energy: 0.096
local terms energy: -36.457579
where:
bonds (distance) C4'-P energy: -6.996
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -8.480
flat angles P-C4'-P energy: -5.323
tors. eta vs tors. theta energy: -2.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -162.874668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.874668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.874668 (E_RNA)
where:
Base-Base interactions energy: -111.696
where: short stacking energy: -41.978
Base-Backbone interact. energy: -0.137
local terms energy: -51.041348
where:
bonds (distance) C4'-P energy: -10.441
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -9.506
flat angles P-C4'-P energy: -7.561
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: 2, replica: 6
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -146.792610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.792610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.792610 (E_RNA)
where:
Base-Base interactions energy: -98.822
where: short stacking energy: -36.415
Base-Backbone interact. energy: -0.107
local terms energy: -47.863870
where:
bonds (distance) C4'-P energy: -7.945
bonds (distance) P-C4' energy: -12.556
flat angles C4'-P-C4' energy: -10.170
flat angles P-C4'-P energy: -4.448
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: 9
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -146.783122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.783122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.783122 (E_RNA)
where:
Base-Base interactions energy: -93.135
where: short stacking energy: -29.898
Base-Backbone interact. energy: -0.046
local terms energy: -53.601866
where:
bonds (distance) C4'-P energy: -12.701
bonds (distance) P-C4' energy: -11.309
flat angles C4'-P-C4' energy: -10.186
flat angles P-C4'-P energy: -6.595
tors. eta vs tors. theta energy: -12.810
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: 5
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -133.896998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.896998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.896998 (E_RNA)
where:
Base-Base interactions energy: -89.470
where: short stacking energy: -30.303
Base-Backbone interact. energy: -0.062
local terms energy: -44.365888
where:
bonds (distance) C4'-P energy: -8.516
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -11.770
flat angles P-C4'-P energy: -4.803
tors. eta vs tors. theta energy: -7.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -121.948907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.948907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.948907 (E_RNA)
where:
Base-Base interactions energy: -74.635
where: short stacking energy: -31.073
Base-Backbone interact. energy: -0.672
local terms energy: -46.641738
where:
bonds (distance) C4'-P energy: -6.297
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -10.666
flat angles P-C4'-P energy: -8.784
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: 6, replica: 3
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -70.396107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.396107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.396107 (E_RNA)
where:
Base-Base interactions energy: -25.466
where: short stacking energy: -25.466
Base-Backbone interact. energy: -0.085
local terms energy: -44.845186
where:
bonds (distance) C4'-P energy: -11.327
bonds (distance) P-C4' energy: -10.896
flat angles C4'-P-C4' energy: -10.159
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -3.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -61.051973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.051973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.051973 (E_RNA)
where:
Base-Base interactions energy: -17.073
where: short stacking energy: -17.073
Base-Backbone interact. energy: 0.620
local terms energy: -44.599256
where:
bonds (distance) C4'-P energy: -8.755
bonds (distance) P-C4' energy: -11.542
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -7.638
tors. eta vs tors. theta energy: -3.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -58.137558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.137558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.137558 (E_RNA)
where:
Base-Base interactions energy: -20.744
where: short stacking energy: -12.281
Base-Backbone interact. energy: 0.183
local terms energy: -37.576907
where:
bonds (distance) C4'-P energy: -10.867
bonds (distance) P-C4' energy: -8.693
flat angles C4'-P-C4' energy: -9.696
flat angles P-C4'-P energy: -5.815
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: 9, replica: 1
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -55.841308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.841308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.841308 (E_RNA)
where:
Base-Base interactions energy: -29.392
where: short stacking energy: -12.579
Base-Backbone interact. energy: -0.212
local terms energy: -26.237289
where:
bonds (distance) C4'-P energy: -7.265
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -7.904
flat angles P-C4'-P energy: -5.161
tors. eta vs tors. theta energy: 6.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -54.672575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.672575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.672575 (E_RNA)
where:
Base-Base interactions energy: -20.630
where: short stacking energy: -11.121
Base-Backbone interact. energy: -0.036
local terms energy: -34.007010
where:
bonds (distance) C4'-P energy: -10.602
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -6.220
flat angles P-C4'-P energy: -5.940
tors. eta vs tors. theta energy: 1.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -152.467496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.467496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.467496 (E_RNA)
where:
Base-Base interactions energy: -101.746
where: short stacking energy: -34.383
Base-Backbone interact. energy: -0.128
local terms energy: -50.593826
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -9.746
flat angles P-C4'-P energy: -5.450
tors. eta vs tors. theta energy: -10.082
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: 10
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -157.879355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.879355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.879355 (E_RNA)
where:
Base-Base interactions energy: -103.949
where: short stacking energy: -38.544
Base-Backbone interact. energy: -0.103
local terms energy: -53.827116
where:
bonds (distance) C4'-P energy: -12.834
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -9.064
flat angles P-C4'-P energy: -6.304
tors. eta vs tors. theta energy: -12.918
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: 9
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -149.799009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.799009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.799009 (E_RNA)
where:
Base-Base interactions energy: -94.776
where: short stacking energy: -39.752
Base-Backbone interact. energy: -0.132
local terms energy: -54.890889
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -9.642
flat angles C4'-P-C4' energy: -12.481
flat angles P-C4'-P energy: -4.894
tors. eta vs tors. theta energy: -14.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -142.729649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.729649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.729649 (E_RNA)
where:
Base-Base interactions energy: -89.907
where: short stacking energy: -42.401
Base-Backbone interact. energy: -0.001
local terms energy: -52.822075
where:
bonds (distance) C4'-P energy: -8.859
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -4.419
tors. eta vs tors. theta energy: -13.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -147.746319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.746319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.746319 (E_RNA)
where:
Base-Base interactions energy: -92.389
where: short stacking energy: -33.763
Base-Backbone interact. energy: -1.010
local terms energy: -54.347206
where:
bonds (distance) C4'-P energy: -11.025
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -10.204
flat angles P-C4'-P energy: -6.966
tors. eta vs tors. theta energy: -13.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -75.289625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.289625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.289625 (E_RNA)
where:
Base-Base interactions energy: -34.798
where: short stacking energy: -24.637
Base-Backbone interact. energy: -0.092
local terms energy: -40.399461
where:
bonds (distance) C4'-P energy: -12.313
bonds (distance) P-C4' energy: -10.730
flat angles C4'-P-C4' energy: -12.333
flat angles P-C4'-P energy: -5.151
tors. eta vs tors. theta energy: 0.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -66.774292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.774292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.774292 (E_RNA)
where:
Base-Base interactions energy: -30.491
where: short stacking energy: -21.926
Base-Backbone interact. energy: -0.078
local terms energy: -36.205679
where:
bonds (distance) C4'-P energy: -10.955
bonds (distance) P-C4' energy: -9.912
flat angles C4'-P-C4' energy: -11.438
flat angles P-C4'-P energy: -2.412
tors. eta vs tors. theta energy: -1.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -68.658625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.658625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.658625 (E_RNA)
where:
Base-Base interactions energy: -28.222
where: short stacking energy: -23.961
Base-Backbone interact. energy: -0.096
local terms energy: -40.340733
where:
bonds (distance) C4'-P energy: -10.805
bonds (distance) P-C4' energy: -5.540
flat angles C4'-P-C4' energy: -10.981
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: -4.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -57.603301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.603301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.603301 (E_RNA)
where:
Base-Base interactions energy: -21.222
where: short stacking energy: -12.858
Base-Backbone interact. energy: -0.078
local terms energy: -36.302770
where:
bonds (distance) C4'-P energy: -10.316
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -9.466
flat angles P-C4'-P energy: -3.297
tors. eta vs tors. theta energy: 0.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -55.574311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.574311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.574311 (E_RNA)
where:
Base-Base interactions energy: -19.351
where: short stacking energy: -19.351
Base-Backbone interact. energy: -0.039
local terms energy: -36.184364
where:
bonds (distance) C4'-P energy: -8.665
bonds (distance) P-C4' energy: -7.878
flat angles C4'-P-C4' energy: -9.254
flat angles P-C4'-P energy: -5.818
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: 6
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -145.717628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.717628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.717628 (E_RNA)
where:
Base-Base interactions energy: -95.796
where: short stacking energy: -38.577
Base-Backbone interact. energy: 0.599
local terms energy: -50.521353
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -11.140
flat angles C4'-P-C4' energy: -10.543
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -7.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -150.639882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.639882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.639882 (E_RNA)
where:
Base-Base interactions energy: -99.017
where: short stacking energy: -41.276
Base-Backbone interact. energy: -0.040
local terms energy: -51.582973
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -10.055
flat angles C4'-P-C4' energy: -10.440
flat angles P-C4'-P energy: -4.267
tors. eta vs tors. theta energy: -15.104
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: 9
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -145.880740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.880740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.880740 (E_RNA)
where:
Base-Base interactions energy: -96.358
where: short stacking energy: -33.626
Base-Backbone interact. energy: -0.252
local terms energy: -49.270445
where:
bonds (distance) C4'-P energy: -11.791
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -11.686
flat angles P-C4'-P energy: -4.099
tors. eta vs tors. theta energy: -9.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -144.456150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.456150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.456150 (E_RNA)
where:
Base-Base interactions energy: -95.842
where: short stacking energy: -30.626
Base-Backbone interact. energy: 1.624
local terms energy: -50.238913
where:
bonds (distance) C4'-P energy: -12.420
bonds (distance) P-C4' energy: -9.218
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: -9.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -119.724742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.724742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.724742 (E_RNA)
where:
Base-Base interactions energy: -75.623
where: short stacking energy: -31.175
Base-Backbone interact. energy: -0.168
local terms energy: -43.933411
where:
bonds (distance) C4'-P energy: -5.460
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -11.520
flat angles P-C4'-P energy: -6.265
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: 2
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -92.563054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.563054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.563054 (E_RNA)
where:
Base-Base interactions energy: -51.223
where: short stacking energy: -24.832
Base-Backbone interact. energy: 0.040
local terms energy: -41.379917
where:
bonds (distance) C4'-P energy: -11.257
bonds (distance) P-C4' energy: -8.042
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -3.834
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: 7, replica: 3
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -70.201746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.201746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.201746 (E_RNA)
where:
Base-Base interactions energy: -36.970
where: short stacking energy: -22.880
Base-Backbone interact. energy: -0.363
local terms energy: -32.868304
where:
bonds (distance) C4'-P energy: -3.328
bonds (distance) P-C4' energy: -13.745
flat angles C4'-P-C4' energy: -9.387
flat angles P-C4'-P energy: -3.051
tors. eta vs tors. theta energy: -3.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -63.614877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.614877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.614877 (E_RNA)
where:
Base-Base interactions energy: -20.074
where: short stacking energy: -19.902
Base-Backbone interact. energy: 0.710
local terms energy: -44.250915
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -10.889
flat angles C4'-P-C4' energy: -8.344
flat angles P-C4'-P energy: -6.972
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: 9, replica: 7
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -60.210889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.210889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.210889 (E_RNA)
where:
Base-Base interactions energy: -23.636
where: short stacking energy: -22.897
Base-Backbone interact. energy: -0.130
local terms energy: -36.445135
where:
bonds (distance) C4'-P energy: -7.672
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -8.955
flat angles P-C4'-P energy: -4.711
tors. eta vs tors. theta energy: -2.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -51.324022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.324022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.324022 (E_RNA)
where:
Base-Base interactions energy: -15.691
where: short stacking energy: -6.121
Base-Backbone interact. energy: 0.674
local terms energy: -36.306832
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -10.274
flat angles C4'-P-C4' energy: -9.847
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: 5.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -152.711073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.711073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.711073 (E_RNA)
where:
Base-Base interactions energy: -95.331
where: short stacking energy: -40.624
Base-Backbone interact. energy: -0.275
local terms energy: -57.105260
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -11.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -147.617781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.617781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.617781 (E_RNA)
where:
Base-Base interactions energy: -92.784
where: short stacking energy: -41.731
Base-Backbone interact. energy: -0.099
local terms energy: -54.735143
where:
bonds (distance) C4'-P energy: -10.644
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -6.051
tors. eta vs tors. theta energy: -12.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -132.468842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.468842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.468842 (E_RNA)
where:
Base-Base interactions energy: -85.736
where: short stacking energy: -27.089
Base-Backbone interact. energy: -0.132
local terms energy: -46.601129
where:
bonds (distance) C4'-P energy: -12.544
bonds (distance) P-C4' energy: -12.133
flat angles C4'-P-C4' energy: -10.087
flat angles P-C4'-P energy: -4.207
tors. eta vs tors. theta energy: -7.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -125.715382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.715382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.715382 (E_RNA)
where:
Base-Base interactions energy: -75.407
where: short stacking energy: -27.929
Base-Backbone interact. energy: -0.004
local terms energy: -50.304022
where:
bonds (distance) C4'-P energy: -10.379
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -6.332
tors. eta vs tors. theta energy: -6.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -129.776135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.776135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.776135 (E_RNA)
where:
Base-Base interactions energy: -75.584
where: short stacking energy: -35.868
Base-Backbone interact. energy: -0.070
local terms energy: -54.121937
where:
bonds (distance) C4'-P energy: -11.568
bonds (distance) P-C4' energy: -8.464
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -7.670
tors. eta vs tors. theta energy: -13.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -86.286885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.286885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.286885 (E_RNA)
where:
Base-Base interactions energy: -47.207
where: short stacking energy: -19.033
Base-Backbone interact. energy: -0.234
local terms energy: -38.846479
where:
bonds (distance) C4'-P energy: -7.237
bonds (distance) P-C4' energy: -12.494
flat angles C4'-P-C4' energy: -8.239
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -1.687
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: 8
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -60.819717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.819717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.819717 (E_RNA)
where:
Base-Base interactions energy: -28.963
where: short stacking energy: -12.335
Base-Backbone interact. energy: -0.886
local terms energy: -30.970615
where:
bonds (distance) C4'-P energy: -9.769
bonds (distance) P-C4' energy: -11.679
flat angles C4'-P-C4' energy: -9.385
flat angles P-C4'-P energy: -3.234
tors. eta vs tors. theta energy: 3.097
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: 3
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -61.346339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.346339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.346339 (E_RNA)
where:
Base-Base interactions energy: -20.767
where: short stacking energy: -20.767
Base-Backbone interact. energy: -0.056
local terms energy: -40.523152
where:
bonds (distance) C4'-P energy: -7.122
bonds (distance) P-C4' energy: -11.788
flat angles C4'-P-C4' energy: -9.972
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -4.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -59.815786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.815786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.815786 (E_RNA)
where:
Base-Base interactions energy: -18.782
where: short stacking energy: -18.391
Base-Backbone interact. energy: -0.000
local terms energy: -41.034015
where:
bonds (distance) C4'-P energy: -9.514
bonds (distance) P-C4' energy: -11.377
flat angles C4'-P-C4' energy: -8.288
flat angles P-C4'-P energy: -7.599
tors. eta vs tors. theta energy: -4.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -57.325944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.325944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.325944 (E_RNA)
where:
Base-Base interactions energy: -15.187
where: short stacking energy: -15.187
Base-Backbone interact. energy: -1.344
local terms energy: -40.795492
where:
bonds (distance) C4'-P energy: -10.698
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -8.247
flat angles P-C4'-P energy: -4.658
tors. eta vs tors. theta energy: -3.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -156.246026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.246026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.246026 (E_RNA)
where:
Base-Base interactions energy: -102.933
where: short stacking energy: -32.545
Base-Backbone interact. energy: -0.107
local terms energy: -53.205816
where:
bonds (distance) C4'-P energy: -10.767
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -8.960
flat angles P-C4'-P energy: -5.139
tors. eta vs tors. theta energy: -14.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -140.658065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.658065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.658065 (E_RNA)
where:
Base-Base interactions energy: -93.214
where: short stacking energy: -31.908
Base-Backbone interact. energy: -0.145
local terms energy: -47.298606
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -10.340
flat angles C4'-P-C4' energy: -8.852
flat angles P-C4'-P energy: -6.916
tors. eta vs tors. theta energy: -8.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -161.330748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.330748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.330748 (E_RNA)
where:
Base-Base interactions energy: -111.851
where: short stacking energy: -41.784
Base-Backbone interact. energy: -0.003
local terms energy: -49.476687
where:
bonds (distance) C4'-P energy: -11.016
bonds (distance) P-C4' energy: -12.522
flat angles C4'-P-C4' energy: -7.835
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -10.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -135.583672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.583672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.583672 (E_RNA)
where:
Base-Base interactions energy: -89.577
where: short stacking energy: -42.706
Base-Backbone interact. energy: -0.007
local terms energy: -45.999285
where:
bonds (distance) C4'-P energy: -8.645
bonds (distance) P-C4' energy: -11.166
flat angles C4'-P-C4' energy: -6.002
flat angles P-C4'-P energy: -5.568
tors. eta vs tors. theta energy: -14.619
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: 9
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -126.234510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.234510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.234510 (E_RNA)
where:
Base-Base interactions energy: -75.924
where: short stacking energy: -28.822
Base-Backbone interact. energy: -0.146
local terms energy: -50.164046
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -10.587
flat angles C4'-P-C4' energy: -10.358
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: -9.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -86.865029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.865029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.865029 (E_RNA)
where:
Base-Base interactions energy: -50.854
where: short stacking energy: -22.174
Base-Backbone interact. energy: -0.127
local terms energy: -35.884225
where:
bonds (distance) C4'-P energy: -8.921
bonds (distance) P-C4' energy: -11.962
flat angles C4'-P-C4' energy: -8.555
flat angles P-C4'-P energy: -1.511
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: 7, replica: 8
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -64.626559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.626559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.626559 (E_RNA)
where:
Base-Base interactions energy: -25.443
where: short stacking energy: -16.574
Base-Backbone interact. energy: -0.205
local terms energy: -38.978340
where:
bonds (distance) C4'-P energy: -9.828
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -7.403
flat angles P-C4'-P energy: -8.053
tors. eta vs tors. theta energy: -1.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -60.366787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.366787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.366787 (E_RNA)
where:
Base-Base interactions energy: -23.062
where: short stacking energy: -23.062
Base-Backbone interact. energy: -0.065
local terms energy: -37.239768
where:
bonds (distance) C4'-P energy: -11.112
bonds (distance) P-C4' energy: -8.746
flat angles C4'-P-C4' energy: -10.482
flat angles P-C4'-P energy: -5.871
tors. eta vs tors. theta energy: -1.028
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: 3
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -62.735667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.735667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.735667 (E_RNA)
where:
Base-Base interactions energy: -17.898
where: short stacking energy: -14.665
Base-Backbone interact. energy: -0.014
local terms energy: -44.823629
where:
bonds (distance) C4'-P energy: -10.483
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -6.335
tors. eta vs tors. theta energy: -3.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -53.537505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.537505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.537505 (E_RNA)
where:
Base-Base interactions energy: -16.154
where: short stacking energy: -10.356
Base-Backbone interact. energy: -0.018
local terms energy: -37.365803
where:
bonds (distance) C4'-P energy: -12.900
bonds (distance) P-C4' energy: -11.709
flat angles C4'-P-C4' energy: -9.399
flat angles P-C4'-P energy: -4.760
tors. eta vs tors. theta energy: 1.402
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: 1, replica: 5
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -145.734115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.734115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.734115 (E_RNA)
where:
Base-Base interactions energy: -96.174
where: short stacking energy: -30.631
Base-Backbone interact. energy: 1.320
local terms energy: -50.880632
where:
bonds (distance) C4'-P energy: -13.223
bonds (distance) P-C4' energy: -11.032
flat angles C4'-P-C4' energy: -11.445
flat angles P-C4'-P energy: -6.015
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: 2, replica: 10
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -148.774548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.774548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.774548 (E_RNA)
where:
Base-Base interactions energy: -97.658
where: short stacking energy: -34.363
Base-Backbone interact. energy: -0.104
local terms energy: -51.013068
where:
bonds (distance) C4'-P energy: -11.156
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -3.464
tors. eta vs tors. theta energy: -8.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -150.828029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.828029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.828029 (E_RNA)
where:
Base-Base interactions energy: -104.283
where: short stacking energy: -44.772
Base-Backbone interact. energy: -0.053
local terms energy: -46.491298
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -9.032
flat angles C4'-P-C4' energy: -11.139
flat angles P-C4'-P energy: -4.642
tors. eta vs tors. theta energy: -9.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -130.779372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.779372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.779372 (E_RNA)
where:
Base-Base interactions energy: -85.206
where: short stacking energy: -38.671
Base-Backbone interact. energy: -0.096
local terms energy: -45.477124
where:
bonds (distance) C4'-P energy: -10.126
bonds (distance) P-C4' energy: -8.635
flat angles C4'-P-C4' energy: -10.870
flat angles P-C4'-P energy: -7.464
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: 5, replica: 9
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -138.641055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.641055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.641055 (E_RNA)
where:
Base-Base interactions energy: -100.059
where: short stacking energy: -21.870
Base-Backbone interact. energy: -0.141
local terms energy: -38.441173
where:
bonds (distance) C4'-P energy: -5.164
bonds (distance) P-C4' energy: -11.352
flat angles C4'-P-C4' energy: -10.486
flat angles P-C4'-P energy: -4.372
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: 6, replica: 2
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -76.681767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.681767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.681767 (E_RNA)
where:
Base-Base interactions energy: -30.218
where: short stacking energy: -26.684
Base-Backbone interact. energy: -0.427
local terms energy: -46.036697
where:
bonds (distance) C4'-P energy: -11.129
bonds (distance) P-C4' energy: -9.867
flat angles C4'-P-C4' energy: -10.661
flat angles P-C4'-P energy: -7.608
tors. eta vs tors. theta energy: -6.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -70.095248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.095248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.095248 (E_RNA)
where:
Base-Base interactions energy: -27.708
where: short stacking energy: -16.288
Base-Backbone interact. energy: -0.054
local terms energy: -42.333753
where:
bonds (distance) C4'-P energy: -11.045
bonds (distance) P-C4' energy: -12.743
flat angles C4'-P-C4' energy: -7.750
flat angles P-C4'-P energy: -6.880
tors. eta vs tors. theta energy: -3.916
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: 8
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -64.675633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.675633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.675633 (E_RNA)
where:
Base-Base interactions energy: -26.372
where: short stacking energy: -14.029
Base-Backbone interact. energy: -0.248
local terms energy: -38.055795
where:
bonds (distance) C4'-P energy: -11.583
bonds (distance) P-C4' energy: -10.369
flat angles C4'-P-C4' energy: -10.042
flat angles P-C4'-P energy: -5.841
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: 9, replica: 7
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -62.424819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.424819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.424819 (E_RNA)
where:
Base-Base interactions energy: -27.558
where: short stacking energy: -8.740
Base-Backbone interact. energy: -0.201
local terms energy: -34.666411
where:
bonds (distance) C4'-P energy: -8.718
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -9.605
flat angles P-C4'-P energy: -6.565
tors. eta vs tors. theta energy: 3.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -61.889938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.889938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.889938 (E_RNA)
where:
Base-Base interactions energy: -26.163
where: short stacking energy: -6.285
Base-Backbone interact. energy: -0.316
local terms energy: -35.410651
where:
bonds (distance) C4'-P energy: -11.236
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -8.519
flat angles P-C4'-P energy: -5.517
tors. eta vs tors. theta energy: 4.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -156.155855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.155855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.155855 (E_RNA)
where:
Base-Base interactions energy: -104.137
where: short stacking energy: -37.454
Base-Backbone interact. energy: -0.018
local terms energy: -52.000097
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -9.380
flat angles C4'-P-C4' energy: -11.669
flat angles P-C4'-P energy: -8.132
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: 2, replica: 6
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -147.478004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.478004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.478004 (E_RNA)
where:
Base-Base interactions energy: -95.387
where: short stacking energy: -37.176
Base-Backbone interact. energy: 0.157
local terms energy: -52.248025
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -11.319
flat angles P-C4'-P energy: -6.444
tors. eta vs tors. theta energy: -9.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -149.387266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.387266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.387266 (E_RNA)
where:
Base-Base interactions energy: -93.723
where: short stacking energy: -43.826
Base-Backbone interact. energy: -0.003
local terms energy: -55.661641
where:
bonds (distance) C4'-P energy: -11.390
bonds (distance) P-C4' energy: -9.759
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -6.521
tors. eta vs tors. theta energy: -14.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -129.509390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.509390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.509390 (E_RNA)
where:
Base-Base interactions energy: -77.378
where: short stacking energy: -33.913
Base-Backbone interact. energy: -0.078
local terms energy: -52.053468
where:
bonds (distance) C4'-P energy: -11.621
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -4.851
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: 5, replica: 4
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -100.289390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.289390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.289390 (E_RNA)
where:
Base-Base interactions energy: -60.884
where: short stacking energy: -27.745
Base-Backbone interact. energy: -0.105
local terms energy: -39.300135
where:
bonds (distance) C4'-P energy: -9.397
bonds (distance) P-C4' energy: -9.777
flat angles C4'-P-C4' energy: -6.165
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: -6.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -85.881423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.881423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.881423 (E_RNA)
where:
Base-Base interactions energy: -42.311
where: short stacking energy: -27.896
Base-Backbone interact. energy: 0.083
local terms energy: -43.652979
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -12.202
flat angles C4'-P-C4' energy: -11.407
flat angles P-C4'-P energy: -4.173
tors. eta vs tors. theta energy: -3.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -65.333281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.333281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.333281 (E_RNA)
where:
Base-Base interactions energy: -21.699
where: short stacking energy: -21.699
Base-Backbone interact. energy: -0.212
local terms energy: -43.422186
where:
bonds (distance) C4'-P energy: -12.030
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -10.388
flat angles P-C4'-P energy: -4.770
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: 8, replica: 7
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -59.074775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.074775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.074775 (E_RNA)
where:
Base-Base interactions energy: -23.655
where: short stacking energy: -12.399
Base-Backbone interact. energy: -0.145
local terms energy: -35.274674
where:
bonds (distance) C4'-P energy: -9.610
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -7.780
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: 2.858
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: 8
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -67.920082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.920082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.920082 (E_RNA)
where:
Base-Base interactions energy: -25.677
where: short stacking energy: -18.287
Base-Backbone interact. energy: -0.120
local terms energy: -42.122940
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -8.772
flat angles P-C4'-P energy: -6.932
tors. eta vs tors. theta energy: -1.587
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: 3
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -52.379865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.379865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.379865 (E_RNA)
where:
Base-Base interactions energy: -16.174
where: short stacking energy: -10.358
Base-Backbone interact. energy: -0.141
local terms energy: -36.065591
where:
bonds (distance) C4'-P energy: -9.289
bonds (distance) P-C4' energy: -11.566
flat angles C4'-P-C4' energy: -10.242
flat angles P-C4'-P energy: -4.283
tors. eta vs tors. theta energy: -0.685
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: 6
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -147.218659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.218659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.218659 (E_RNA)
where:
Base-Base interactions energy: -99.077
where: short stacking energy: -35.226
Base-Backbone interact. energy: -0.005
local terms energy: -48.137428
where:
bonds (distance) C4'-P energy: -8.458
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -8.996
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -8.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -146.023998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.023998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.023998 (E_RNA)
where:
Base-Base interactions energy: -94.373
where: short stacking energy: -35.382
Base-Backbone interact. energy: -0.018
local terms energy: -51.632817
where:
bonds (distance) C4'-P energy: -10.052
bonds (distance) P-C4' energy: -11.630
flat angles C4'-P-C4' energy: -11.988
flat angles P-C4'-P energy: -3.758
tors. eta vs tors. theta energy: -14.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -147.542882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.542882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.542882 (E_RNA)
where:
Base-Base interactions energy: -95.794
where: short stacking energy: -31.345
Base-Backbone interact. energy: 0.024
local terms energy: -51.773113
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -11.062
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: -7.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -148.746243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.746243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.746243 (E_RNA)
where:
Base-Base interactions energy: -95.355
where: short stacking energy: -37.237
Base-Backbone interact. energy: -0.026
local terms energy: -53.365405
where:
bonds (distance) C4'-P energy: -10.288
bonds (distance) P-C4' energy: -11.328
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -7.785
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: 5, replica: 2
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -100.898893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.898893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.898893 (E_RNA)
where:
Base-Base interactions energy: -64.316
where: short stacking energy: -27.264
Base-Backbone interact. energy: -0.011
local terms energy: -36.571773
where:
bonds (distance) C4'-P energy: -10.598
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -0.833
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: -5.007
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: 4
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -129.959377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.959377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.959377 (E_RNA)
where:
Base-Base interactions energy: -84.837
where: short stacking energy: -37.599
Base-Backbone interact. energy: -0.226
local terms energy: -44.896352
where:
bonds (distance) C4'-P energy: -8.245
bonds (distance) P-C4' energy: -10.213
flat angles C4'-P-C4' energy: -10.415
flat angles P-C4'-P energy: -6.120
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: 7, replica: 1
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -73.125701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.125701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.125701 (E_RNA)
where:
Base-Base interactions energy: -28.149
where: short stacking energy: -23.374
Base-Backbone interact. energy: -0.067
local terms energy: -44.909867
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -10.185
flat angles P-C4'-P energy: -6.663
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: 8, replica: 7
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -60.918803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.918803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.918803 (E_RNA)
where:
Base-Base interactions energy: -20.495
where: short stacking energy: -11.642
Base-Backbone interact. energy: -0.152
local terms energy: -40.271634
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -14.929
flat angles C4'-P-C4' energy: -7.882
flat angles P-C4'-P energy: -6.735
tors. eta vs tors. theta energy: -0.412
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: 386
Temperature: 1.300000
Total energy: -62.875282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.875282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.875282 (E_RNA)
where:
Base-Base interactions energy: -28.242
where: short stacking energy: -17.824
Base-Backbone interact. energy: -0.117
local terms energy: -34.516194
where:
bonds (distance) C4'-P energy: -6.855
bonds (distance) P-C4' energy: -10.004
flat angles C4'-P-C4' energy: -11.416
flat angles P-C4'-P energy: -6.829
tors. eta vs tors. theta energy: 0.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -57.982266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.982266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.982266 (E_RNA)
where:
Base-Base interactions energy: -16.512
where: short stacking energy: -15.602
Base-Backbone interact. energy: -0.133
local terms energy: -41.337580
where:
bonds (distance) C4'-P energy: -7.108
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -6.791
tors. eta vs tors. theta energy: -3.123
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: 1, replica: 6
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -158.579415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.579415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.579415 (E_RNA)
where:
Base-Base interactions energy: -100.169
where: short stacking energy: -38.498
Base-Backbone interact. energy: -0.004
local terms energy: -58.406110
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -10.192
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -13.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -151.525228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.525228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.525228 (E_RNA)
where:
Base-Base interactions energy: -98.357
where: short stacking energy: -30.041
Base-Backbone interact. energy: -0.117
local terms energy: -53.051170
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -8.803
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -10.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -144.857191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.857191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.857191 (E_RNA)
where:
Base-Base interactions energy: -90.246
where: short stacking energy: -44.932
Base-Backbone interact. energy: -0.095
local terms energy: -54.516190
where:
bonds (distance) C4'-P energy: -9.326
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -11.174
flat angles P-C4'-P energy: -5.862
tors. eta vs tors. theta energy: -13.952
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: 4, replica: 10
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -132.846871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.846871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.846871 (E_RNA)
where:
Base-Base interactions energy: -82.373
where: short stacking energy: -35.748
Base-Backbone interact. energy: -0.080
local terms energy: -50.394163
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -10.383
flat angles C4'-P-C4' energy: -9.819
flat angles P-C4'-P energy: -6.318
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: 5, replica: 2
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -93.039605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.039605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.039605 (E_RNA)
where:
Base-Base interactions energy: -52.877
where: short stacking energy: -21.231
Base-Backbone interact. energy: -0.738
local terms energy: -39.424732
where:
bonds (distance) C4'-P energy: -9.187
bonds (distance) P-C4' energy: -9.575
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -5.340
tors. eta vs tors. theta energy: -3.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -126.446817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.446817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.446817 (E_RNA)
where:
Base-Base interactions energy: -83.771
where: short stacking energy: -25.916
Base-Backbone interact. energy: -0.165
local terms energy: -42.511369
where:
bonds (distance) C4'-P energy: -11.228
bonds (distance) P-C4' energy: -10.361
flat angles C4'-P-C4' energy: -10.656
flat angles P-C4'-P energy: -6.207
tors. eta vs tors. theta energy: -4.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -72.685252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.685252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.685252 (E_RNA)
where:
Base-Base interactions energy: -31.464
where: short stacking energy: -12.945
Base-Backbone interact. energy: -0.152
local terms energy: -41.069174
where:
bonds (distance) C4'-P energy: -9.207
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -11.373
flat angles P-C4'-P energy: -4.987
tors. eta vs tors. theta energy: -1.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -65.702147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.702147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.702147 (E_RNA)
where:
Base-Base interactions energy: -24.138
where: short stacking energy: -15.349
Base-Backbone interact. energy: 0.743
local terms energy: -42.307271
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -11.341
flat angles C4'-P-C4' energy: -9.675
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -1.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -56.027058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.027058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.027058 (E_RNA)
where:
Base-Base interactions energy: -25.788
where: short stacking energy: -21.776
Base-Backbone interact. energy: 0.333
local terms energy: -30.571947
where:
bonds (distance) C4'-P energy: -10.653
bonds (distance) P-C4' energy: -9.310
flat angles C4'-P-C4' energy: -3.335
flat angles P-C4'-P energy: -6.093
tors. eta vs tors. theta energy: -1.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -58.168792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.168792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.168792 (E_RNA)
where:
Base-Base interactions energy: -26.976
where: short stacking energy: -10.811
Base-Backbone interact. energy: -0.058
local terms energy: -31.134606
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -11.800
flat angles C4'-P-C4' energy: -9.138
flat angles P-C4'-P energy: -6.905
tors. eta vs tors. theta energy: 2.938
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: 6
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -161.244384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.244384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.244384 (E_RNA)
where:
Base-Base interactions energy: -111.601
where: short stacking energy: -38.809
Base-Backbone interact. energy: -0.053
local terms energy: -49.589962
where:
bonds (distance) C4'-P energy: -9.850
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -10.325
flat angles P-C4'-P energy: -2.961
tors. eta vs tors. theta energy: -12.981
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: 2, replica: 9
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -159.519604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.519604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.519604 (E_RNA)
where:
Base-Base interactions energy: -101.964
where: short stacking energy: -40.592
Base-Backbone interact. energy: -0.328
local terms energy: -57.227600
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -12.743
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -8.172
tors. eta vs tors. theta energy: -9.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -153.925883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.925883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.925883 (E_RNA)
where:
Base-Base interactions energy: -100.611
where: short stacking energy: -37.137
Base-Backbone interact. energy: -0.005
local terms energy: -53.310318
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -11.636
flat angles C4'-P-C4' energy: -11.383
flat angles P-C4'-P energy: -3.250
tors. eta vs tors. theta energy: -13.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -148.195179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.195179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.195179 (E_RNA)
where:
Base-Base interactions energy: -101.803
where: short stacking energy: -33.890
Base-Backbone interact. energy: -0.120
local terms energy: -46.271696
where:
bonds (distance) C4'-P energy: -9.203
bonds (distance) P-C4' energy: -10.228
flat angles C4'-P-C4' energy: -9.547
flat angles P-C4'-P energy: -6.545
tors. eta vs tors. theta energy: -10.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -134.840025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.840025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.840025 (E_RNA)
where:
Base-Base interactions energy: -91.179
where: short stacking energy: -33.933
Base-Backbone interact. energy: -0.072
local terms energy: -43.589286
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -10.367
flat angles C4'-P-C4' energy: -7.673
flat angles P-C4'-P energy: -7.867
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: 6, replica: 2
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -82.718109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.718109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.718109 (E_RNA)
where:
Base-Base interactions energy: -41.353
where: short stacking energy: -33.721
Base-Backbone interact. energy: -0.047
local terms energy: -41.318104
where:
bonds (distance) C4'-P energy: -5.723
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -9.750
flat angles P-C4'-P energy: -3.169
tors. eta vs tors. theta energy: -10.063
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: 7, replica: 7
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -62.806587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.806587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.806587 (E_RNA)
where:
Base-Base interactions energy: -28.971
where: short stacking energy: -22.592
Base-Backbone interact. energy: -0.152
local terms energy: -33.684187
where:
bonds (distance) C4'-P energy: -4.397
bonds (distance) P-C4' energy: -10.271
flat angles C4'-P-C4' energy: -9.140
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: -2.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -71.489734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.489734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.489734 (E_RNA)
where:
Base-Base interactions energy: -39.045
where: short stacking energy: -21.745
Base-Backbone interact. energy: -0.393
local terms energy: -32.052127
where:
bonds (distance) C4'-P energy: -7.332
bonds (distance) P-C4' energy: -8.231
flat angles C4'-P-C4' energy: -8.303
flat angles P-C4'-P energy: -4.322
tors. eta vs tors. theta energy: -3.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -52.778853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.778853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.778853 (E_RNA)
where:
Base-Base interactions energy: -17.824
where: short stacking energy: -14.531
Base-Backbone interact. energy: -0.604
local terms energy: -34.350357
where:
bonds (distance) C4'-P energy: -9.683
bonds (distance) P-C4' energy: -8.244
flat angles C4'-P-C4' energy: -7.217
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -1.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -56.313419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.313419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.313419 (E_RNA)
where:
Base-Base interactions energy: -20.386
where: short stacking energy: -12.477
Base-Backbone interact. energy: -0.192
local terms energy: -35.735927
where:
bonds (distance) C4'-P energy: -8.265
bonds (distance) P-C4' energy: -9.231
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -4.331
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: 389
Temperature: 0.900000
Total energy: -166.855721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.855721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.855721 (E_RNA)
where:
Base-Base interactions energy: -111.064
where: short stacking energy: -39.124
Base-Backbone interact. energy: 0.315
local terms energy: -56.106870
where:
bonds (distance) C4'-P energy: -11.571
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -8.045
tors. eta vs tors. theta energy: -10.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -151.446434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.446434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.446434 (E_RNA)
where:
Base-Base interactions energy: -97.440
where: short stacking energy: -35.329
Base-Backbone interact. energy: 0.242
local terms energy: -54.248446
where:
bonds (distance) C4'-P energy: -12.619
bonds (distance) P-C4' energy: -9.845
flat angles C4'-P-C4' energy: -10.178
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -12.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -145.414028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.414028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.414028 (E_RNA)
where:
Base-Base interactions energy: -90.915
where: short stacking energy: -35.218
Base-Backbone interact. energy: -0.084
local terms energy: -54.414208
where:
bonds (distance) C4'-P energy: -10.893
bonds (distance) P-C4' energy: -10.189
flat angles C4'-P-C4' energy: -10.867
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -13.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -131.669452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.669452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.669452 (E_RNA)
where:
Base-Base interactions energy: -84.192
where: short stacking energy: -39.168
Base-Backbone interact. energy: 0.117
local terms energy: -47.594601
where:
bonds (distance) C4'-P energy: -8.769
bonds (distance) P-C4' energy: -10.535
flat angles C4'-P-C4' energy: -8.600
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -10.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -121.984747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.984747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.984747 (E_RNA)
where:
Base-Base interactions energy: -75.658
where: short stacking energy: -32.611
Base-Backbone interact. energy: -0.009
local terms energy: -46.317932
where:
bonds (distance) C4'-P energy: -9.444
bonds (distance) P-C4' energy: -9.816
flat angles C4'-P-C4' energy: -8.373
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: -10.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -70.730767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.730767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.730767 (E_RNA)
where:
Base-Base interactions energy: -32.303
where: short stacking energy: -25.392
Base-Backbone interact. energy: -0.016
local terms energy: -38.412128
where:
bonds (distance) C4'-P energy: -4.421
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -9.735
flat angles P-C4'-P energy: -5.555
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: 7, replica: 2
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -85.748942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.748942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.748942 (E_RNA)
where:
Base-Base interactions energy: -45.944
where: short stacking energy: -26.858
Base-Backbone interact. energy: -0.025
local terms energy: -39.780017
where:
bonds (distance) C4'-P energy: -11.762
bonds (distance) P-C4' energy: -12.942
flat angles C4'-P-C4' energy: -5.529
flat angles P-C4'-P energy: -1.340
tors. eta vs tors. theta energy: -8.207
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: 8
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -70.841014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.841014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.841014 (E_RNA)
where:
Base-Base interactions energy: -41.174
where: short stacking energy: -9.129
Base-Backbone interact. energy: 0.694
local terms energy: -30.360602
where:
bonds (distance) C4'-P energy: -10.875
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -6.698
flat angles P-C4'-P energy: -1.301
tors. eta vs tors. theta energy: 1.593
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: 9, replica: 1
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -65.289069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.289069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.289069 (E_RNA)
where:
Base-Base interactions energy: -23.038
where: short stacking energy: -18.739
Base-Backbone interact. energy: -0.349
local terms energy: -41.901635
where:
bonds (distance) C4'-P energy: -9.672
bonds (distance) P-C4' energy: -11.246
flat angles C4'-P-C4' energy: -11.571
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -2.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -58.723902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.723902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.723902 (E_RNA)
where:
Base-Base interactions energy: -16.497
where: short stacking energy: -16.497
Base-Backbone interact. energy: -0.073
local terms energy: -42.154285
where:
bonds (distance) C4'-P energy: -12.585
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -10.540
flat angles P-C4'-P energy: -6.291
tors. eta vs tors. theta energy: 0.330
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: 1, replica: 9
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -153.770652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.770652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.770652 (E_RNA)
where:
Base-Base interactions energy: -98.818
where: short stacking energy: -32.538
Base-Backbone interact. energy: -0.037
local terms energy: -54.916315
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -7.245
tors. eta vs tors. theta energy: -8.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -149.563912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.563912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.563912 (E_RNA)
where:
Base-Base interactions energy: -96.324
where: short stacking energy: -38.824
Base-Backbone interact. energy: -0.147
local terms energy: -53.093601
where:
bonds (distance) C4'-P energy: -10.921
bonds (distance) P-C4' energy: -12.303
flat angles C4'-P-C4' energy: -11.778
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -10.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -131.856207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.856207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.856207 (E_RNA)
where:
Base-Base interactions energy: -77.384
where: short stacking energy: -30.429
Base-Backbone interact. energy: 0.305
local terms energy: -54.777520
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -10.233
flat angles P-C4'-P energy: -8.677
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: 4, replica: 4
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -124.995111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.995111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.995111 (E_RNA)
where:
Base-Base interactions energy: -76.430
where: short stacking energy: -32.393
Base-Backbone interact. energy: -0.082
local terms energy: -48.482293
where:
bonds (distance) C4'-P energy: -9.799
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -10.311
flat angles P-C4'-P energy: -7.559
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: 5, replica: 10
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -130.475092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.475092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.475092 (E_RNA)
where:
Base-Base interactions energy: -81.623
where: short stacking energy: -38.309
Base-Backbone interact. energy: -0.002
local terms energy: -48.849979
where:
bonds (distance) C4'-P energy: -11.674
bonds (distance) P-C4' energy: -11.649
flat angles C4'-P-C4' energy: -7.699
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -9.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -69.835962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.835962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.835962 (E_RNA)
where:
Base-Base interactions energy: -22.220
where: short stacking energy: -22.220
Base-Backbone interact. energy: -0.349
local terms energy: -47.267457
where:
bonds (distance) C4'-P energy: -10.093
bonds (distance) P-C4' energy: -11.778
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -5.683
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: 8
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -66.331351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.331351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.331351 (E_RNA)
where:
Base-Base interactions energy: -18.713
where: short stacking energy: -18.713
Base-Backbone interact. energy: -0.063
local terms energy: -47.554885
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -10.584
flat angles C4'-P-C4' energy: -9.862
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -7.210
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: 2
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -61.753864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.753864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.753864 (E_RNA)
where:
Base-Base interactions energy: -24.506
where: short stacking energy: -17.960
Base-Backbone interact. energy: -0.084
local terms energy: -37.163646
where:
bonds (distance) C4'-P energy: -9.642
bonds (distance) P-C4' energy: -9.179
flat angles C4'-P-C4' energy: -9.119
flat angles P-C4'-P energy: -7.266
tors. eta vs tors. theta energy: -1.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -57.818605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.818605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.818605 (E_RNA)
where:
Base-Base interactions energy: -17.684
where: short stacking energy: -14.956
Base-Backbone interact. energy: -0.116
local terms energy: -40.018038
where:
bonds (distance) C4'-P energy: -8.077
bonds (distance) P-C4' energy: -10.964
flat angles C4'-P-C4' energy: -10.624
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -2.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -65.344457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.344457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.344457 (E_RNA)
where:
Base-Base interactions energy: -23.165
where: short stacking energy: -18.408
Base-Backbone interact. energy: -0.036
local terms energy: -42.143502
where:
bonds (distance) C4'-P energy: -13.591
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -11.510
flat angles P-C4'-P energy: -3.087
tors. eta vs tors. theta energy: -2.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -152.544623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.544623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.544623 (E_RNA)
where:
Base-Base interactions energy: -97.185
where: short stacking energy: -45.644
Base-Backbone interact. energy: -0.000
local terms energy: -55.359191
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -9.543
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -5.156
tors. eta vs tors. theta energy: -14.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -138.439665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.439665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.439665 (E_RNA)
where:
Base-Base interactions energy: -80.448
where: short stacking energy: -36.241
Base-Backbone interact. energy: -0.002
local terms energy: -57.990122
where:
bonds (distance) C4'-P energy: -11.870
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -8.379
tors. eta vs tors. theta energy: -8.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -147.954911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.954911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.954911 (E_RNA)
where:
Base-Base interactions energy: -93.012
where: short stacking energy: -38.031
Base-Backbone interact. energy: -0.043
local terms energy: -54.900083
where:
bonds (distance) C4'-P energy: -11.186
bonds (distance) P-C4' energy: -10.112
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -6.807
tors. eta vs tors. theta energy: -13.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -131.779902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.779902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.779902 (E_RNA)
where:
Base-Base interactions energy: -81.495
where: short stacking energy: -31.909
Base-Backbone interact. energy: -0.128
local terms energy: -50.157315
where:
bonds (distance) C4'-P energy: -13.314
bonds (distance) P-C4' energy: -6.758
flat angles C4'-P-C4' energy: -10.745
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: -11.388
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: 391
Temperature: 1.100000
Total energy: -137.199107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.199107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.199107 (E_RNA)
where:
Base-Base interactions energy: -89.844
where: short stacking energy: -29.787
Base-Backbone interact. energy: -0.805
local terms energy: -46.549407
where:
bonds (distance) C4'-P energy: -10.614
bonds (distance) P-C4' energy: -12.450
flat angles C4'-P-C4' energy: -10.947
flat angles P-C4'-P energy: -2.536
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: 6, replica: 7
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -112.266271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.266271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.266271 (E_RNA)
where:
Base-Base interactions energy: -62.184
where: short stacking energy: -23.954
Base-Backbone interact. energy: -0.132
local terms energy: -49.949871
where:
bonds (distance) C4'-P energy: -10.081
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -10.971
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -8.898
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: 7, replica: 8
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -77.794952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.794952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.794952 (E_RNA)
where:
Base-Base interactions energy: -38.836
where: short stacking energy: -22.584
Base-Backbone interact. energy: 0.199
local terms energy: -39.158088
where:
bonds (distance) C4'-P energy: -9.348
bonds (distance) P-C4' energy: -9.516
flat angles C4'-P-C4' energy: -12.099
flat angles P-C4'-P energy: -4.043
tors. eta vs tors. theta energy: -4.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -68.792095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.792095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.792095 (E_RNA)
where:
Base-Base interactions energy: -35.068
where: short stacking energy: -18.330
Base-Backbone interact. energy: -0.187
local terms energy: -33.536266
where:
bonds (distance) C4'-P energy: -10.698
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -6.298
flat angles P-C4'-P energy: -2.019
tors. eta vs tors. theta energy: -2.296
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: 2
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -61.614558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.614558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.614558 (E_RNA)
where:
Base-Base interactions energy: -22.175
where: short stacking energy: -17.068
Base-Backbone interact. energy: -0.094
local terms energy: -39.344732
where:
bonds (distance) C4'-P energy: -6.331
bonds (distance) P-C4' energy: -10.088
flat angles C4'-P-C4' energy: -10.105
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -2.094
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: 1
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -61.991966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.991966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.991966 (E_RNA)
where:
Base-Base interactions energy: -28.645
where: short stacking energy: -12.658
Base-Backbone interact. energy: -0.037
local terms energy: -33.309856
where:
bonds (distance) C4'-P energy: -9.766
bonds (distance) P-C4' energy: -6.791
flat angles C4'-P-C4' energy: -5.196
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -3.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -148.677471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.677471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.677471 (E_RNA)
where:
Base-Base interactions energy: -94.601
where: short stacking energy: -35.710
Base-Backbone interact. energy: 0.084
local terms energy: -54.160920
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -10.207
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -5.482
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: 2, replica: 5
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -143.499297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.499297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.499297 (E_RNA)
where:
Base-Base interactions energy: -96.509
where: short stacking energy: -29.253
Base-Backbone interact. energy: -0.186
local terms energy: -46.804504
where:
bonds (distance) C4'-P energy: -12.403
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -11.527
flat angles P-C4'-P energy: -3.201
tors. eta vs tors. theta energy: -4.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -148.129904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.129904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.129904 (E_RNA)
where:
Base-Base interactions energy: -97.842
where: short stacking energy: -37.167
Base-Backbone interact. energy: -0.121
local terms energy: -50.166847
where:
bonds (distance) C4'-P energy: -10.162
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -10.415
flat angles P-C4'-P energy: -6.140
tors. eta vs tors. theta energy: -9.022
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: 6
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -138.054051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.054051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.054051 (E_RNA)
where:
Base-Base interactions energy: -82.568
where: short stacking energy: -37.179
Base-Backbone interact. energy: -0.083
local terms energy: -55.403593
where:
bonds (distance) C4'-P energy: -11.977
bonds (distance) P-C4' energy: -9.122
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -11.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -141.551475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.551475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.551475 (E_RNA)
where:
Base-Base interactions energy: -97.020
where: short stacking energy: -34.335
Base-Backbone interact. energy: -0.426
local terms energy: -44.105076
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -12.019
flat angles C4'-P-C4' energy: -8.639
flat angles P-C4'-P energy: -1.409
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: 6, replica: 7
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -114.531503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.531503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.531503 (E_RNA)
where:
Base-Base interactions energy: -67.322
where: short stacking energy: -27.808
Base-Backbone interact. energy: -0.150
local terms energy: -47.060371
where:
bonds (distance) C4'-P energy: -9.944
bonds (distance) P-C4' energy: -11.638
flat angles C4'-P-C4' energy: -10.955
flat angles P-C4'-P energy: -6.794
tors. eta vs tors. theta energy: -7.729
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: 3
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -76.182081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.182081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.182081 (E_RNA)
where:
Base-Base interactions energy: -37.432
where: short stacking energy: -15.803
Base-Backbone interact. energy: 1.131
local terms energy: -39.880994
where:
bonds (distance) C4'-P energy: -11.074
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -9.675
flat angles P-C4'-P energy: -4.405
tors. eta vs tors. theta energy: -0.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -66.403790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.403790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.403790 (E_RNA)
where:
Base-Base interactions energy: -32.682
where: short stacking energy: -9.751
Base-Backbone interact. energy: -0.210
local terms energy: -33.511733
where:
bonds (distance) C4'-P energy: -8.022
bonds (distance) P-C4' energy: -11.656
flat angles C4'-P-C4' energy: -9.029
flat angles P-C4'-P energy: -3.739
tors. eta vs tors. theta energy: -1.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -65.197153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.197153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.197153 (E_RNA)
where:
Base-Base interactions energy: -25.462
where: short stacking energy: -18.316
Base-Backbone interact. energy: 0.215
local terms energy: -39.949384
where:
bonds (distance) C4'-P energy: -7.299
bonds (distance) P-C4' energy: -10.822
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -6.131
tors. eta vs tors. theta energy: -3.023
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: 2
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -68.141433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.141433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.141433 (E_RNA)
where:
Base-Base interactions energy: -38.420
where: short stacking energy: -13.894
Base-Backbone interact. energy: -1.355
local terms energy: -28.367020
where:
bonds (distance) C4'-P energy: -6.376
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -7.167
flat angles P-C4'-P energy: 0.511
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: 1, replica: 9
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -157.079672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.079672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.079672 (E_RNA)
where:
Base-Base interactions energy: -104.083
where: short stacking energy: -40.859
Base-Backbone interact. energy: -0.023
local terms energy: -52.973795
where:
bonds (distance) C4'-P energy: -10.744
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -5.862
tors. eta vs tors. theta energy: -11.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -145.707240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.707240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.707240 (E_RNA)
where:
Base-Base interactions energy: -91.195
where: short stacking energy: -29.490
Base-Backbone interact. energy: -0.006
local terms energy: -54.506793
where:
bonds (distance) C4'-P energy: -12.436
bonds (distance) P-C4' energy: -10.067
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -3.430
tors. eta vs tors. theta energy: -14.207
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: 5
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -145.830671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.830671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.830671 (E_RNA)
where:
Base-Base interactions energy: -91.435
where: short stacking energy: -29.336
Base-Backbone interact. energy: -1.156
local terms energy: -53.240270
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -11.596
flat angles P-C4'-P energy: -8.294
tors. eta vs tors. theta energy: -7.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -119.465155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.465155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.465155 (E_RNA)
where:
Base-Base interactions energy: -73.276
where: short stacking energy: -27.571
Base-Backbone interact. energy: -0.151
local terms energy: -46.038597
where:
bonds (distance) C4'-P energy: -12.382
bonds (distance) P-C4' energy: -10.880
flat angles C4'-P-C4' energy: -9.716
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -5.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -139.080942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.080942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.080942 (E_RNA)
where:
Base-Base interactions energy: -91.226
where: short stacking energy: -42.969
Base-Backbone interact. energy: -0.078
local terms energy: -47.777656
where:
bonds (distance) C4'-P energy: -6.091
bonds (distance) P-C4' energy: -12.910
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -5.146
tors. eta vs tors. theta energy: -11.331
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: 393
Temperature: 1.150000
Total energy: -129.337341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.337341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.337341 (E_RNA)
where:
Base-Base interactions energy: -75.233
where: short stacking energy: -31.743
Base-Backbone interact. energy: -0.074
local terms energy: -54.030321
where:
bonds (distance) C4'-P energy: -9.890
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -9.740
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -10.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -77.695488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.695488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.695488 (E_RNA)
where:
Base-Base interactions energy: -35.357
where: short stacking energy: -16.762
Base-Backbone interact. energy: -0.064
local terms energy: -42.273584
where:
bonds (distance) C4'-P energy: -3.996
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -3.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -66.060393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.060393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.060393 (E_RNA)
where:
Base-Base interactions energy: -24.269
where: short stacking energy: -24.269
Base-Backbone interact. energy: -0.002
local terms energy: -41.789407
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -11.941
flat angles C4'-P-C4' energy: -9.922
flat angles P-C4'-P energy: -2.358
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: 8
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -64.836990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.836990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.836990 (E_RNA)
where:
Base-Base interactions energy: -30.724
where: short stacking energy: -17.999
Base-Backbone interact. energy: -0.366
local terms energy: -33.746758
where:
bonds (distance) C4'-P energy: -9.630
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -9.452
flat angles P-C4'-P energy: -1.264
tors. eta vs tors. theta energy: 0.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -60.997985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.997985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.997985 (E_RNA)
where:
Base-Base interactions energy: -27.372
where: short stacking energy: -14.804
Base-Backbone interact. energy: 2.132
local terms energy: -35.758052
where:
bonds (distance) C4'-P energy: -10.159
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -10.332
flat angles P-C4'-P energy: -5.488
tors. eta vs tors. theta energy: 3.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -146.012170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.012170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.012170 (E_RNA)
where:
Base-Base interactions energy: -89.302
where: short stacking energy: -45.460
Base-Backbone interact. energy: -0.102
local terms energy: -56.608326
where:
bonds (distance) C4'-P energy: -10.872
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -5.572
tors. eta vs tors. theta energy: -14.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -151.453998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.453998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.453998 (E_RNA)
where:
Base-Base interactions energy: -99.233
where: short stacking energy: -39.235
Base-Backbone interact. energy: -0.007
local terms energy: -52.213954
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -10.965
flat angles C4'-P-C4' energy: -12.152
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -10.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -132.532937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.532937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.532937 (E_RNA)
where:
Base-Base interactions energy: -80.663
where: short stacking energy: -33.849
Base-Backbone interact. energy: -0.263
local terms energy: -51.606865
where:
bonds (distance) C4'-P energy: -11.568
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -10.209
flat angles P-C4'-P energy: -9.250
tors. eta vs tors. theta energy: -8.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -130.143339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.143339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.143339 (E_RNA)
where:
Base-Base interactions energy: -86.416
where: short stacking energy: -28.835
Base-Backbone interact. energy: -0.055
local terms energy: -43.672614
where:
bonds (distance) C4'-P energy: -11.522
bonds (distance) P-C4' energy: -10.964
flat angles C4'-P-C4' energy: -11.016
flat angles P-C4'-P energy: -4.439
tors. eta vs tors. theta energy: -5.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -129.919067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.919067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.919067 (E_RNA)
where:
Base-Base interactions energy: -85.103
where: short stacking energy: -22.209
Base-Backbone interact. energy: -0.015
local terms energy: -44.800556
where:
bonds (distance) C4'-P energy: -10.980
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -9.816
flat angles P-C4'-P energy: -5.285
tors. eta vs tors. theta energy: -6.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -123.192675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.192675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.192675 (E_RNA)
where:
Base-Base interactions energy: -70.839
where: short stacking energy: -25.884
Base-Backbone interact. energy: -0.453
local terms energy: -51.899962
where:
bonds (distance) C4'-P energy: -9.844
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -10.891
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -9.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -68.206260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.206260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.206260 (E_RNA)
where:
Base-Base interactions energy: -23.033
where: short stacking energy: -10.068
Base-Backbone interact. energy: 0.022
local terms energy: -45.195421
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -12.420
flat angles P-C4'-P energy: -6.787
tors. eta vs tors. theta energy: -1.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -63.481799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.481799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.481799 (E_RNA)
where:
Base-Base interactions energy: -18.252
where: short stacking energy: -18.252
Base-Backbone interact. energy: -0.112
local terms energy: -45.118247
where:
bonds (distance) C4'-P energy: -11.203
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -11.771
flat angles P-C4'-P energy: -5.882
tors. eta vs tors. theta energy: -3.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -62.821450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.821450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.821450 (E_RNA)
where:
Base-Base interactions energy: -24.570
where: short stacking energy: -14.663
Base-Backbone interact. energy: -0.187
local terms energy: -38.065261
where:
bonds (distance) C4'-P energy: -13.078
bonds (distance) P-C4' energy: -11.185
flat angles C4'-P-C4' energy: -5.987
flat angles P-C4'-P energy: -6.794
tors. eta vs tors. theta energy: -1.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -69.139007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.139007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.139007 (E_RNA)
where:
Base-Base interactions energy: -25.633
where: short stacking energy: -16.806
Base-Backbone interact. energy: -0.852
local terms energy: -42.654190
where:
bonds (distance) C4'-P energy: -12.064
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -6.987
flat angles P-C4'-P energy: -6.794
tors. eta vs tors. theta energy: -5.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -159.585114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.585114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.585114 (E_RNA)
where:
Base-Base interactions energy: -102.179
where: short stacking energy: -38.493
Base-Backbone interact. energy: -1.024
local terms energy: -56.382838
where:
bonds (distance) C4'-P energy: -9.499
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -11.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -140.763505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.763505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.763505 (E_RNA)
where:
Base-Base interactions energy: -81.563
where: short stacking energy: -35.865
Base-Backbone interact. energy: -0.003
local terms energy: -59.197781
where:
bonds (distance) C4'-P energy: -11.803
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -6.491
tors. eta vs tors. theta energy: -14.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -150.424952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.424952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.424952 (E_RNA)
where:
Base-Base interactions energy: -103.495
where: short stacking energy: -35.809
Base-Backbone interact. energy: -0.019
local terms energy: -46.911333
where:
bonds (distance) C4'-P energy: -8.930
bonds (distance) P-C4' energy: -9.819
flat angles C4'-P-C4' energy: -11.673
flat angles P-C4'-P energy: -6.730
tors. eta vs tors. theta energy: -9.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -149.721715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.721715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.721715 (E_RNA)
where:
Base-Base interactions energy: -103.968
where: short stacking energy: -38.246
Base-Backbone interact. energy: -0.122
local terms energy: -45.631153
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -4.382
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -9.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -129.805976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.805976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.805976 (E_RNA)
where:
Base-Base interactions energy: -76.811
where: short stacking energy: -28.483
Base-Backbone interact. energy: -0.981
local terms energy: -52.013445
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -10.948
flat angles P-C4'-P energy: -6.781
tors. eta vs tors. theta energy: -7.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -122.835162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.835162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.835162 (E_RNA)
where:
Base-Base interactions energy: -81.197
where: short stacking energy: -29.270
Base-Backbone interact. energy: -0.130
local terms energy: -41.507964
where:
bonds (distance) C4'-P energy: -9.903
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -5.416
flat angles P-C4'-P energy: -7.002
tors. eta vs tors. theta energy: -7.754
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: 7, replica: 1
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -70.552641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.552641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.552641 (E_RNA)
where:
Base-Base interactions energy: -25.900
where: short stacking energy: -23.981
Base-Backbone interact. energy: -0.340
local terms energy: -44.312717
where:
bonds (distance) C4'-P energy: -12.809
bonds (distance) P-C4' energy: -11.126
flat angles C4'-P-C4' energy: -9.563
flat angles P-C4'-P energy: -4.474
tors. eta vs tors. theta energy: -6.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -74.479503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.479503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.479503 (E_RNA)
where:
Base-Base interactions energy: -30.974
where: short stacking energy: -30.974
Base-Backbone interact. energy: -0.018
local terms energy: -43.487199
where:
bonds (distance) C4'-P energy: -9.510
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -8.189
flat angles P-C4'-P energy: -5.339
tors. eta vs tors. theta energy: -8.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -65.158053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.158053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.158053 (E_RNA)
where:
Base-Base interactions energy: -21.502
where: short stacking energy: -21.502
Base-Backbone interact. energy: -0.553
local terms energy: -43.103233
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -9.204
flat angles C4'-P-C4' energy: -9.638
flat angles P-C4'-P energy: -5.533
tors. eta vs tors. theta energy: -5.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -64.314401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.314401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.314401 (E_RNA)
where:
Base-Base interactions energy: -22.154
where: short stacking energy: -19.489
Base-Backbone interact. energy: 2.635
local terms energy: -44.795654
where:
bonds (distance) C4'-P energy: -11.542
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -6.605
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: 1, replica: 10
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -152.951321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.951321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.951321 (E_RNA)
where:
Base-Base interactions energy: -99.019
where: short stacking energy: -33.433
Base-Backbone interact. energy: -0.002
local terms energy: -53.930214
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -10.661
flat angles P-C4'-P energy: -7.428
tors. eta vs tors. theta energy: -10.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -160.208137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.208137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.208137 (E_RNA)
where:
Base-Base interactions energy: -106.897
where: short stacking energy: -39.866
Base-Backbone interact. energy: -0.402
local terms energy: -52.908741
where:
bonds (distance) C4'-P energy: -10.746
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -8.401
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -12.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -153.159547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.159547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.159547 (E_RNA)
where:
Base-Base interactions energy: -105.283
where: short stacking energy: -26.162
Base-Backbone interact. energy: -0.480
local terms energy: -47.396613
where:
bonds (distance) C4'-P energy: -9.320
bonds (distance) P-C4' energy: -11.221
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -6.308
tors. eta vs tors. theta energy: -9.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -130.500165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.500165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.500165 (E_RNA)
where:
Base-Base interactions energy: -83.163
where: short stacking energy: -28.713
Base-Backbone interact. energy: -0.116
local terms energy: -47.221623
where:
bonds (distance) C4'-P energy: -10.996
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -11.829
flat angles P-C4'-P energy: -4.645
tors. eta vs tors. theta energy: -6.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -132.354429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.354429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.354429 (E_RNA)
where:
Base-Base interactions energy: -79.973
where: short stacking energy: -30.672
Base-Backbone interact. energy: -0.363
local terms energy: -52.017821
where:
bonds (distance) C4'-P energy: -10.548
bonds (distance) P-C4' energy: -12.556
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -2.904
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: 6, replica: 6
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -137.281481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.281481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.281481 (E_RNA)
where:
Base-Base interactions energy: -91.678
where: short stacking energy: -38.232
Base-Backbone interact. energy: -0.175
local terms energy: -45.428248
where:
bonds (distance) C4'-P energy: -11.157
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -9.713
flat angles P-C4'-P energy: -5.680
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: 7, replica: 3
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -66.912952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.912952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.912952 (E_RNA)
where:
Base-Base interactions energy: -25.056
where: short stacking energy: -8.963
Base-Backbone interact. energy: -0.157
local terms energy: -41.700381
where:
bonds (distance) C4'-P energy: -10.342
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -9.686
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -1.270
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: 1
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -55.564922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.564922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.564922 (E_RNA)
where:
Base-Base interactions energy: -17.570
where: short stacking energy: -17.570
Base-Backbone interact. energy: 0.110
local terms energy: -38.104881
where:
bonds (distance) C4'-P energy: -11.178
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -8.878
flat angles P-C4'-P energy: -0.077
tors. eta vs tors. theta energy: -6.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -65.400863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.400863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.400863 (E_RNA)
where:
Base-Base interactions energy: -27.437
where: short stacking energy: -16.386
Base-Backbone interact. energy: -0.676
local terms energy: -37.288163
where:
bonds (distance) C4'-P energy: -8.876
bonds (distance) P-C4' energy: -10.333
flat angles C4'-P-C4' energy: -11.336
flat angles P-C4'-P energy: -5.929
tors. eta vs tors. theta energy: -0.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -56.481604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.481604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.481604 (E_RNA)
where:
Base-Base interactions energy: -10.301
where: short stacking energy: -8.122
Base-Backbone interact. energy: -0.180
local terms energy: -46.001039
where:
bonds (distance) C4'-P energy: -12.585
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -11.686
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: 0.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -155.337155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.337155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.337155 (E_RNA)
where:
Base-Base interactions energy: -102.407
where: short stacking energy: -34.851
Base-Backbone interact. energy: -0.193
local terms energy: -52.736789
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -10.032
flat angles P-C4'-P energy: -4.626
tors. eta vs tors. theta energy: -14.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -133.901432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.901432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.901432 (E_RNA)
where:
Base-Base interactions energy: -80.146
where: short stacking energy: -36.983
Base-Backbone interact. energy: -0.036
local terms energy: -53.719446
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -12.373
flat angles P-C4'-P energy: -5.599
tors. eta vs tors. theta energy: -11.220
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: 4
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -140.079377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.079377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.079377 (E_RNA)
where:
Base-Base interactions energy: -87.271
where: short stacking energy: -40.186
Base-Backbone interact. energy: -0.011
local terms energy: -52.797564
where:
bonds (distance) C4'-P energy: -9.737
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -10.575
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -10.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -142.164460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.164460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.164460 (E_RNA)
where:
Base-Base interactions energy: -98.393
where: short stacking energy: -33.517
Base-Backbone interact. energy: 0.004
local terms energy: -43.774939
where:
bonds (distance) C4'-P energy: -11.451
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -9.163
flat angles P-C4'-P energy: -3.249
tors. eta vs tors. theta energy: -6.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -133.551540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.551540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.551540 (E_RNA)
where:
Base-Base interactions energy: -82.747
where: short stacking energy: -33.187
Base-Backbone interact. energy: 0.015
local terms energy: -50.819335
where:
bonds (distance) C4'-P energy: -11.584
bonds (distance) P-C4' energy: -9.388
flat angles C4'-P-C4' energy: -12.984
flat angles P-C4'-P energy: -7.259
tors. eta vs tors. theta energy: -9.604
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: 6
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -135.439809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.439809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.439809 (E_RNA)
where:
Base-Base interactions energy: -86.953
where: short stacking energy: -38.886
Base-Backbone interact. energy: -0.098
local terms energy: -48.388498
where:
bonds (distance) C4'-P energy: -9.683
bonds (distance) P-C4' energy: -11.542
flat angles C4'-P-C4' energy: -7.719
flat angles P-C4'-P energy: -6.718
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: 3
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -63.318747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.318747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.318747 (E_RNA)
where:
Base-Base interactions energy: -24.066
where: short stacking energy: -22.156
Base-Backbone interact. energy: -0.305
local terms energy: -38.947920
where:
bonds (distance) C4'-P energy: -8.640
bonds (distance) P-C4' energy: -11.319
flat angles C4'-P-C4' energy: -8.217
flat angles P-C4'-P energy: -7.369
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: 8, replica: 8
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -63.518809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.518809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.518809 (E_RNA)
where:
Base-Base interactions energy: -18.761
where: short stacking energy: -15.585
Base-Backbone interact. energy: -1.012
local terms energy: -43.746064
where:
bonds (distance) C4'-P energy: -11.522
bonds (distance) P-C4' energy: -11.454
flat angles C4'-P-C4' energy: -9.639
flat angles P-C4'-P energy: -6.866
tors. eta vs tors. theta energy: -4.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -63.920296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.920296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.920296 (E_RNA)
where:
Base-Base interactions energy: -19.194
where: short stacking energy: -19.194
Base-Backbone interact. energy: -0.174
local terms energy: -44.552176
where:
bonds (distance) C4'-P energy: -9.969
bonds (distance) P-C4' energy: -10.231
flat angles C4'-P-C4' energy: -9.462
flat angles P-C4'-P energy: -5.796
tors. eta vs tors. theta energy: -9.094
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: 2
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -65.161497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.161497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.161497 (E_RNA)
where:
Base-Base interactions energy: -21.570
where: short stacking energy: -10.688
Base-Backbone interact. energy: 0.364
local terms energy: -43.955581
where:
bonds (distance) C4'-P energy: -11.220
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -11.671
flat angles P-C4'-P energy: -6.639
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: 398
Temperature: 0.900000
Total energy: -151.917253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.917253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.917253 (E_RNA)
where:
Base-Base interactions energy: -98.567
where: short stacking energy: -45.244
Base-Backbone interact. energy: -0.007
local terms energy: -53.343539
where:
bonds (distance) C4'-P energy: -11.522
bonds (distance) P-C4' energy: -9.898
flat angles C4'-P-C4' energy: -12.680
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -10.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -156.039655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.039655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.039655 (E_RNA)
where:
Base-Base interactions energy: -103.438
where: short stacking energy: -28.010
Base-Backbone interact. energy: -0.067
local terms energy: -52.533919
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -10.477
flat angles P-C4'-P energy: -6.494
tors. eta vs tors. theta energy: -10.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -138.991808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.991808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.991808 (E_RNA)
where:
Base-Base interactions energy: -83.981
where: short stacking energy: -31.651
Base-Backbone interact. energy: -1.040
local terms energy: -53.970671
where:
bonds (distance) C4'-P energy: -11.852
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -4.749
tors. eta vs tors. theta energy: -10.533
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: 398
Temperature: 1.050000
Total energy: -127.180410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.180410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.180410 (E_RNA)
where:
Base-Base interactions energy: -74.715
where: short stacking energy: -31.739
Base-Backbone interact. energy: -1.082
local terms energy: -51.383338
where:
bonds (distance) C4'-P energy: -9.055
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -8.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -138.504865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.504865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.504865 (E_RNA)
where:
Base-Base interactions energy: -87.640
where: short stacking energy: -20.586
Base-Backbone interact. energy: -0.129
local terms energy: -50.735591
where:
bonds (distance) C4'-P energy: -8.325
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -9.887
flat angles P-C4'-P energy: -9.072
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: 6, replica: 7
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -116.691524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.691524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.691524 (E_RNA)
where:
Base-Base interactions energy: -71.669
where: short stacking energy: -33.640
Base-Backbone interact. energy: -0.177
local terms energy: -44.845487
where:
bonds (distance) C4'-P energy: -13.057
bonds (distance) P-C4' energy: -9.651
flat angles C4'-P-C4' energy: -6.886
flat angles P-C4'-P energy: -7.135
tors. eta vs tors. theta energy: -8.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -68.622252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.622252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.622252 (E_RNA)
where:
Base-Base interactions energy: -24.776
where: short stacking energy: -24.776
Base-Backbone interact. energy: -0.070
local terms energy: -43.775782
where:
bonds (distance) C4'-P energy: -7.812
bonds (distance) P-C4' energy: -14.214
flat angles C4'-P-C4' energy: -9.535
flat angles P-C4'-P energy: -4.884
tors. eta vs tors. theta energy: -7.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -100.998931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.998931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.998931 (E_RNA)
where:
Base-Base interactions energy: -60.675
where: short stacking energy: -21.557
Base-Backbone interact. energy: 0.100
local terms energy: -40.424209
where:
bonds (distance) C4'-P energy: -10.404
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -10.095
flat angles P-C4'-P energy: -6.549
tors. eta vs tors. theta energy: 0.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -67.809644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.809644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.809644 (E_RNA)
where:
Base-Base interactions energy: -32.322
where: short stacking energy: -23.215
Base-Backbone interact. energy: -0.200
local terms energy: -35.286965
where:
bonds (distance) C4'-P energy: -6.541
bonds (distance) P-C4' energy: -11.603
flat angles C4'-P-C4' energy: -8.857
flat angles P-C4'-P energy: -5.681
tors. eta vs tors. theta energy: -2.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -58.438498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.438498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.438498 (E_RNA)
where:
Base-Base interactions energy: -25.838
where: short stacking energy: -24.734
Base-Backbone interact. energy: -0.248
local terms energy: -32.352629
where:
bonds (distance) C4'-P energy: -10.118
bonds (distance) P-C4' energy: -7.597
flat angles C4'-P-C4' energy: -9.556
flat angles P-C4'-P energy: -3.736
tors. eta vs tors. theta energy: -1.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -157.655507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.655507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.655507 (E_RNA)
where:
Base-Base interactions energy: -102.087
where: short stacking energy: -40.234
Base-Backbone interact. energy: -1.055
local terms energy: -54.513624
where:
bonds (distance) C4'-P energy: -11.174
bonds (distance) P-C4' energy: -11.460
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -5.784
tors. eta vs tors. theta energy: -13.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -148.342616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.342616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.342616 (E_RNA)
where:
Base-Base interactions energy: -88.522
where: short stacking energy: -42.450
Base-Backbone interact. energy: -0.010
local terms energy: -59.811270
where:
bonds (distance) C4'-P energy: -10.913
bonds (distance) P-C4' energy: -14.485
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -10.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -146.275295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.275295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.275295 (E_RNA)
where:
Base-Base interactions energy: -97.790
where: short stacking energy: -33.253
Base-Backbone interact. energy: -0.065
local terms energy: -48.420749
where:
bonds (distance) C4'-P energy: -4.969
bonds (distance) P-C4' energy: -14.693
flat angles C4'-P-C4' energy: -11.598
flat angles P-C4'-P energy: -4.402
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: 4, replica: 6
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -128.631374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.631374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.631374 (E_RNA)
where:
Base-Base interactions energy: -78.642
where: short stacking energy: -27.304
Base-Backbone interact. energy: -0.102
local terms energy: -49.887836
where:
bonds (distance) C4'-P energy: -8.848
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -7.975
flat angles P-C4'-P energy: -9.967
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: 5, replica: 4
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -133.412451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.412451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.412451 (E_RNA)
where:
Base-Base interactions energy: -87.749
where: short stacking energy: -25.936
Base-Backbone interact. energy: -0.085
local terms energy: -45.578417
where:
bonds (distance) C4'-P energy: -10.838
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -8.382
flat angles P-C4'-P energy: -4.930
tors. eta vs tors. theta energy: -8.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -130.420182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.420182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.420182 (E_RNA)
where:
Base-Base interactions energy: -85.599
where: short stacking energy: -34.016
Base-Backbone interact. energy: -0.318
local terms energy: -44.503614
where:
bonds (distance) C4'-P energy: -8.471
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -11.032
flat angles P-C4'-P energy: -3.407
tors. eta vs tors. theta energy: -9.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -72.437091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.437091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.437091 (E_RNA)
where:
Base-Base interactions energy: -26.457
where: short stacking energy: -26.457
Base-Backbone interact. energy: -0.108
local terms energy: -45.871846
where:
bonds (distance) C4'-P energy: -9.836
bonds (distance) P-C4' energy: -9.768
flat angles C4'-P-C4' energy: -10.056
flat angles P-C4'-P energy: -7.457
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: 8, replica: 1
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -57.701596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.701596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.701596 (E_RNA)
where:
Base-Base interactions energy: -16.939
where: short stacking energy: -15.159
Base-Backbone interact. energy: 1.151
local terms energy: -41.913845
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -6.302
flat angles P-C4'-P energy: -6.586
tors. eta vs tors. theta energy: -4.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -67.269417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.269417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.269417 (E_RNA)
where:
Base-Base interactions energy: -35.978
where: short stacking energy: -15.538
Base-Backbone interact. energy: 2.891
local terms energy: -34.182328
where:
bonds (distance) C4'-P energy: -7.543
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -10.395
flat angles P-C4'-P energy: -3.220
tors. eta vs tors. theta energy: 0.036
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: 10, replica: 2
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -53.878016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.878016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.878016 (E_RNA)
where:
Base-Base interactions energy: -19.047
where: short stacking energy: -11.904
Base-Backbone interact. energy: -0.113
local terms energy: -34.718012
where:
bonds (distance) C4'-P energy: -9.554
bonds (distance) P-C4' energy: -9.634
flat angles C4'-P-C4' energy: -10.891
flat angles P-C4'-P energy: -6.092
tors. eta vs tors. theta energy: 1.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -165.913187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.913187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.913187 (E_RNA)
where:
Base-Base interactions energy: -112.216
where: short stacking energy: -41.554
Base-Backbone interact. energy: -0.087
local terms energy: -53.609820
where:
bonds (distance) C4'-P energy: -12.544
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -11.424
flat angles P-C4'-P energy: -5.443
tors. eta vs tors. theta energy: -12.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -145.990324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.990324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.990324 (E_RNA)
where:
Base-Base interactions energy: -89.967
where: short stacking energy: -40.874
Base-Backbone interact. energy: -0.687
local terms energy: -55.336816
where:
bonds (distance) C4'-P energy: -8.536
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -9.328
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -15.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -150.045054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.045054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.045054 (E_RNA)
where:
Base-Base interactions energy: -98.891
where: short stacking energy: -34.587
Base-Backbone interact. energy: -0.062
local terms energy: -51.092412
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -7.794
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: 4, replica: 6
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -127.194150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.194150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.194150 (E_RNA)
where:
Base-Base interactions energy: -78.092
where: short stacking energy: -27.156
Base-Backbone interact. energy: -0.091
local terms energy: -49.011683
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -8.062
flat angles C4'-P-C4' energy: -11.753
flat angles P-C4'-P energy: -7.095
tors. eta vs tors. theta energy: -9.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -135.725556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.725556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.725556 (E_RNA)
where:
Base-Base interactions energy: -95.002
where: short stacking energy: -31.156
Base-Backbone interact. energy: -0.049
local terms energy: -40.674799
where:
bonds (distance) C4'-P energy: -7.750
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -4.255
flat angles P-C4'-P energy: -7.122
tors. eta vs tors. theta energy: -9.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -124.338353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.338353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.338353 (E_RNA)
where:
Base-Base interactions energy: -76.987
where: short stacking energy: -37.614
Base-Backbone interact. energy: 0.772
local terms energy: -48.123169
where:
bonds (distance) C4'-P energy: -9.958
bonds (distance) P-C4' energy: -9.929
flat angles C4'-P-C4' energy: -11.056
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -9.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -64.538177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.538177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.538177 (E_RNA)
where:
Base-Base interactions energy: -19.678
where: short stacking energy: -19.678
Base-Backbone interact. energy: -0.209
local terms energy: -44.650745
where:
bonds (distance) C4'-P energy: -9.982
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -10.224
flat angles P-C4'-P energy: -6.350
tors. eta vs tors. theta energy: -4.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -73.458913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.458913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.458913 (E_RNA)
where:
Base-Base interactions energy: -27.882
where: short stacking energy: -15.363
Base-Backbone interact. energy: -0.496
local terms energy: -45.080898
where:
bonds (distance) C4'-P energy: -7.592
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -10.995
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -1.824
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: 2
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -70.029446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.029446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.029446 (E_RNA)
where:
Base-Base interactions energy: -28.925
where: short stacking energy: -14.259
Base-Backbone interact. energy: -0.028
local terms energy: -41.076003
where:
bonds (distance) C4'-P energy: -12.151
bonds (distance) P-C4' energy: -8.675
flat angles C4'-P-C4' energy: -10.688
flat angles P-C4'-P energy: -6.960
tors. eta vs tors. theta energy: -2.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -56.691440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.691440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.691440 (E_RNA)
where:
Base-Base interactions energy: -22.096
where: short stacking energy: -10.251
Base-Backbone interact. energy: 0.027
local terms energy: -34.622801
where:
bonds (distance) C4'-P energy: -8.114
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -11.964
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: 4.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -144.165041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.165041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.165041 (E_RNA)
where:
Base-Base interactions energy: -91.575
where: short stacking energy: -37.954
Base-Backbone interact. energy: -0.085
local terms energy: -52.505277
where:
bonds (distance) C4'-P energy: -9.860
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -10.651
flat angles P-C4'-P energy: -7.345
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: 2, replica: 10
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -144.207654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.207654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.207654 (E_RNA)
where:
Base-Base interactions energy: -89.020
where: short stacking energy: -37.819
Base-Backbone interact. energy: -0.004
local terms energy: -55.183054
where:
bonds (distance) C4'-P energy: -11.480
bonds (distance) P-C4' energy: -12.122
flat angles C4'-P-C4' energy: -11.494
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -10.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -147.866569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.866569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.866569 (E_RNA)
where:
Base-Base interactions energy: -94.158
where: short stacking energy: -36.707
Base-Backbone interact. energy: -0.003
local terms energy: -53.705647
where:
bonds (distance) C4'-P energy: -11.318
bonds (distance) P-C4' energy: -10.899
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -6.219
tors. eta vs tors. theta energy: -12.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -142.124825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.124825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.124825 (E_RNA)
where:
Base-Base interactions energy: -86.441
where: short stacking energy: -39.249
Base-Backbone interact. energy: -0.005
local terms energy: -55.678312
where:
bonds (distance) C4'-P energy: -10.026
bonds (distance) P-C4' energy: -10.421
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -14.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -140.500226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.500226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.500226 (E_RNA)
where:
Base-Base interactions energy: -90.279
where: short stacking energy: -25.443
Base-Backbone interact. energy: -1.148
local terms energy: -49.073307
where:
bonds (distance) C4'-P energy: -11.484
bonds (distance) P-C4' energy: -11.102
flat angles C4'-P-C4' energy: -10.877
flat angles P-C4'-P energy: -7.306
tors. eta vs tors. theta energy: -8.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -123.443725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.443725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.443725 (E_RNA)
where:
Base-Base interactions energy: -72.970
where: short stacking energy: -28.916
Base-Backbone interact. energy: -0.111
local terms energy: -50.362754
where:
bonds (distance) C4'-P energy: -11.786
bonds (distance) P-C4' energy: -10.262
flat angles C4'-P-C4' energy: -9.178
flat angles P-C4'-P energy: -8.452
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: 7, replica: 1
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -68.786177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.786177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.786177 (E_RNA)
where:
Base-Base interactions energy: -23.957
where: short stacking energy: -21.388
Base-Backbone interact. energy: -1.011
local terms energy: -43.819049
where:
bonds (distance) C4'-P energy: -10.299
bonds (distance) P-C4' energy: -11.831
flat angles C4'-P-C4' energy: -9.436
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -2.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -63.129054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.129054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.129054 (E_RNA)
where:
Base-Base interactions energy: -23.876
where: short stacking energy: -23.876
Base-Backbone interact. energy: -0.000
local terms energy: -39.252536
where:
bonds (distance) C4'-P energy: -11.390
bonds (distance) P-C4' energy: -9.794
flat angles C4'-P-C4' energy: -8.985
flat angles P-C4'-P energy: -1.517
tors. eta vs tors. theta energy: -7.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -94.613529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.613529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.613529 (E_RNA)
where:
Base-Base interactions energy: -63.904
where: short stacking energy: -16.407
Base-Backbone interact. energy: -0.120
local terms energy: -30.589986
where:
bonds (distance) C4'-P energy: -6.855
bonds (distance) P-C4' energy: -10.371
flat angles C4'-P-C4' energy: -10.350
flat angles P-C4'-P energy: -0.069
tors. eta vs tors. theta energy: -2.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -60.313116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.313116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.313116 (E_RNA)
where:
Base-Base interactions energy: -23.076
where: short stacking energy: -11.322
Base-Backbone interact. energy: -0.059
local terms energy: -37.178751
where:
bonds (distance) C4'-P energy: -10.420
bonds (distance) P-C4' energy: -10.157
flat angles C4'-P-C4' energy: -10.211
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: 2.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -160.449014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.449014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.449014 (E_RNA)
where:
Base-Base interactions energy: -102.887
where: short stacking energy: -46.991
Base-Backbone interact. energy: -0.196
local terms energy: -57.366105
where:
bonds (distance) C4'-P energy: -11.808
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -4.406
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: 2, replica: 10
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -146.349011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.349011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.349011 (E_RNA)
where:
Base-Base interactions energy: -91.668
where: short stacking energy: -39.673
Base-Backbone interact. energy: -0.154
local terms energy: -54.527711
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -7.075
tors. eta vs tors. theta energy: -9.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -152.481149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.481149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.481149 (E_RNA)
where:
Base-Base interactions energy: -101.632
where: short stacking energy: -35.850
Base-Backbone interact. energy: -0.169
local terms energy: -50.680605
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -9.925
flat angles C4'-P-C4' energy: -8.790
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -9.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -137.433807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.433807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.433807 (E_RNA)
where:
Base-Base interactions energy: -87.820
where: short stacking energy: -37.169
Base-Backbone interact. energy: -0.048
local terms energy: -49.565976
where:
bonds (distance) C4'-P energy: -8.838
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -12.101
flat angles P-C4'-P energy: -5.402
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: 5, replica: 6
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -142.000795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.000795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.000795 (E_RNA)
where:
Base-Base interactions energy: -93.986
where: short stacking energy: -25.624
Base-Backbone interact. energy: 0.013
local terms energy: -48.027940
where:
bonds (distance) C4'-P energy: -11.622
bonds (distance) P-C4' energy: -9.577
flat angles C4'-P-C4' energy: -11.385
flat angles P-C4'-P energy: -5.640
tors. eta vs tors. theta energy: -9.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -126.461661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.461661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.461661 (E_RNA)
where:
Base-Base interactions energy: -82.085
where: short stacking energy: -29.221
Base-Backbone interact. energy: 2.575
local terms energy: -46.951399
where:
bonds (distance) C4'-P energy: -12.449
bonds (distance) P-C4' energy: -13.090
flat angles C4'-P-C4' energy: -10.683
flat angles P-C4'-P energy: -3.944
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: 7, replica: 2
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -68.709088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.709088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.709088 (E_RNA)
where:
Base-Base interactions energy: -27.268
where: short stacking energy: -25.339
Base-Backbone interact. energy: -0.034
local terms energy: -41.407254
where:
bonds (distance) C4'-P energy: -10.006
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -2.639
tors. eta vs tors. theta energy: -2.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -60.386233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.386233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.386233 (E_RNA)
where:
Base-Base interactions energy: -20.768
where: short stacking energy: -20.300
Base-Backbone interact. energy: -0.285
local terms energy: -39.332750
where:
bonds (distance) C4'-P energy: -11.178
bonds (distance) P-C4' energy: -7.896
flat angles C4'-P-C4' energy: -11.622
flat angles P-C4'-P energy: -6.213
tors. eta vs tors. theta energy: -2.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -121.911933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.911933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.911933 (E_RNA)
where:
Base-Base interactions energy: -77.622
where: short stacking energy: -36.319
Base-Backbone interact. energy: 0.022
local terms energy: -44.312083
where:
bonds (distance) C4'-P energy: -5.547
bonds (distance) P-C4' energy: -11.512
flat angles C4'-P-C4' energy: -8.989
flat angles P-C4'-P energy: -4.373
tors. eta vs tors. theta energy: -13.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -55.907594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.907594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.907594 (E_RNA)
where:
Base-Base interactions energy: -13.660
where: short stacking energy: -13.660
Base-Backbone interact. energy: -0.802
local terms energy: -41.445290
where:
bonds (distance) C4'-P energy: -9.248
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -4.665
tors. eta vs tors. theta energy: -2.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -150.905180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.905180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.905180 (E_RNA)
where:
Base-Base interactions energy: -92.213
where: short stacking energy: -38.776
Base-Backbone interact. energy: -0.089
local terms energy: -58.602705
where:
bonds (distance) C4'-P energy: -11.046
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -4.118
tors. eta vs tors. theta energy: -16.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -145.768024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.768024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.768024 (E_RNA)
where:
Base-Base interactions energy: -90.606
where: short stacking energy: -36.940
Base-Backbone interact. energy: -0.014
local terms energy: -55.147450
where:
bonds (distance) C4'-P energy: -11.878
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -9.434
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: 3, replica: 10
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -137.459870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.459870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.459870 (E_RNA)
where:
Base-Base interactions energy: -89.843
where: short stacking energy: -31.388
Base-Backbone interact. energy: -0.002
local terms energy: -47.614658
where:
bonds (distance) C4'-P energy: -10.442
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -8.794
flat angles P-C4'-P energy: -6.465
tors. eta vs tors. theta energy: -9.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -144.312573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.312573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.312573 (E_RNA)
where:
Base-Base interactions energy: -95.884
where: short stacking energy: -32.081
Base-Backbone interact. energy: -0.068
local terms energy: -48.360214
where:
bonds (distance) C4'-P energy: -12.312
bonds (distance) P-C4' energy: -8.259
flat angles C4'-P-C4' energy: -10.445
flat angles P-C4'-P energy: -5.096
tors. eta vs tors. theta energy: -12.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -129.529216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.529216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.529216 (E_RNA)
where:
Base-Base interactions energy: -83.342
where: short stacking energy: -30.754
Base-Backbone interact. energy: -0.063
local terms energy: -46.124383
where:
bonds (distance) C4'-P energy: -10.639
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -9.500
flat angles P-C4'-P energy: -5.757
tors. eta vs tors. theta energy: -7.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -73.381052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.381052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.381052 (E_RNA)
where:
Base-Base interactions energy: -33.104
where: short stacking energy: -22.341
Base-Backbone interact. energy: 0.130
local terms energy: -40.407522
where:
bonds (distance) C4'-P energy: -7.680
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -11.437
flat angles P-C4'-P energy: -7.036
tors. eta vs tors. theta energy: -1.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -128.548225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.548225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.548225 (E_RNA)
where:
Base-Base interactions energy: -75.726
where: short stacking energy: -32.101
Base-Backbone interact. energy: -0.020
local terms energy: -52.802084
where:
bonds (distance) C4'-P energy: -12.714
bonds (distance) P-C4' energy: -9.552
flat angles C4'-P-C4' energy: -9.031
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -13.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -124.430493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.430493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.430493 (E_RNA)
where:
Base-Base interactions energy: -88.691
where: short stacking energy: -37.820
Base-Backbone interact. energy: -0.127
local terms energy: -35.612244
where:
bonds (distance) C4'-P energy: -4.963
bonds (distance) P-C4' energy: -10.767
flat angles C4'-P-C4' energy: -4.116
flat angles P-C4'-P energy: -3.203
tors. eta vs tors. theta energy: -12.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -66.584147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.584147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.584147 (E_RNA)
where:
Base-Base interactions energy: -29.194
where: short stacking energy: -9.925
Base-Backbone interact. energy: -0.089
local terms energy: -37.301334
where:
bonds (distance) C4'-P energy: -7.912
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -8.928
flat angles P-C4'-P energy: -3.880
tors. eta vs tors. theta energy: -4.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -52.182795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.182795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.182795 (E_RNA)
where:
Base-Base interactions energy: -15.824
where: short stacking energy: -15.824
Base-Backbone interact. energy: -0.084
local terms energy: -36.274438
where:
bonds (distance) C4'-P energy: -6.426
bonds (distance) P-C4' energy: -11.994
flat angles C4'-P-C4' energy: -10.827
flat angles P-C4'-P energy: -5.130
tors. eta vs tors. theta energy: -1.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -150.707127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.707127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.707127 (E_RNA)
where:
Base-Base interactions energy: -94.919
where: short stacking energy: -51.343
Base-Backbone interact. energy: -0.007
local terms energy: -55.780771
where:
bonds (distance) C4'-P energy: -11.418
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -12.268
flat angles P-C4'-P energy: -1.915
tors. eta vs tors. theta energy: -16.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -152.941035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.941035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.941035 (E_RNA)
where:
Base-Base interactions energy: -104.273
where: short stacking energy: -35.388
Base-Backbone interact. energy: -0.336
local terms energy: -48.331190
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -9.341
flat angles P-C4'-P energy: -6.888
tors. eta vs tors. theta energy: -7.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -138.143459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.143459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.143459 (E_RNA)
where:
Base-Base interactions energy: -89.490
where: short stacking energy: -35.560
Base-Backbone interact. energy: -0.394
local terms energy: -48.259407
where:
bonds (distance) C4'-P energy: -11.178
bonds (distance) P-C4' energy: -11.369
flat angles C4'-P-C4' energy: -11.041
flat angles P-C4'-P energy: -4.351
tors. eta vs tors. theta energy: -10.320
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: 4, replica: 10
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -139.477267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.477267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.477267 (E_RNA)
where:
Base-Base interactions energy: -87.755
where: short stacking energy: -34.943
Base-Backbone interact. energy: -0.061
local terms energy: -51.661303
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -10.856
flat angles P-C4'-P energy: -4.963
tors. eta vs tors. theta energy: -12.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -76.074784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.074784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.074784 (E_RNA)
where:
Base-Base interactions energy: -36.948
where: short stacking energy: -29.972
Base-Backbone interact. energy: -0.083
local terms energy: -39.044042
where:
bonds (distance) C4'-P energy: -10.048
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -8.353
flat angles P-C4'-P energy: -4.841
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: 6, replica: 6
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -122.810028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.810028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.810028 (E_RNA)
where:
Base-Base interactions energy: -72.136
where: short stacking energy: -29.957
Base-Backbone interact. energy: 0.548
local terms energy: -51.222079
where:
bonds (distance) C4'-P energy: -11.107
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -11.656
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -8.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -122.360306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.360306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.360306 (E_RNA)
where:
Base-Base interactions energy: -73.836
where: short stacking energy: -25.790
Base-Backbone interact. energy: -0.025
local terms energy: -48.498456
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -11.556
flat angles P-C4'-P energy: -6.710
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: 3
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -111.206683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.206683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.206683 (E_RNA)
where:
Base-Base interactions energy: -72.534
where: short stacking energy: -33.948
Base-Backbone interact. energy: -0.075
local terms energy: -38.597745
where:
bonds (distance) C4'-P energy: -10.118
bonds (distance) P-C4' energy: -8.123
flat angles C4'-P-C4' energy: -7.102
flat angles P-C4'-P energy: -1.267
tors. eta vs tors. theta energy: -11.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -61.412653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.412653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.412653 (E_RNA)
where:
Base-Base interactions energy: -20.728
where: short stacking energy: -20.614
Base-Backbone interact. energy: 0.653
local terms energy: -41.337997
where:
bonds (distance) C4'-P energy: -8.839
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -5.204
tors. eta vs tors. theta energy: -2.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -52.792393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.792393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.792393 (E_RNA)
where:
Base-Base interactions energy: -10.919
where: short stacking energy: -10.919
Base-Backbone interact. energy: -0.032
local terms energy: -41.841183
where:
bonds (distance) C4'-P energy: -9.267
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -4.588
tors. eta vs tors. theta energy: -1.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -160.208868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.208868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.208868 (E_RNA)
where:
Base-Base interactions energy: -105.240
where: short stacking energy: -41.227
Base-Backbone interact. energy: -0.005
local terms energy: -54.964602
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -11.947
flat angles P-C4'-P energy: -4.849
tors. eta vs tors. theta energy: -12.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -143.615442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.615442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.615442 (E_RNA)
where:
Base-Base interactions energy: -88.897
where: short stacking energy: -41.104
Base-Backbone interact. energy: -0.001
local terms energy: -54.717520
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -11.922
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -6.687
tors. eta vs tors. theta energy: -12.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -147.071465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.071465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.071465 (E_RNA)
where:
Base-Base interactions energy: -95.741
where: short stacking energy: -40.611
Base-Backbone interact. energy: -0.031
local terms energy: -51.300322
where:
bonds (distance) C4'-P energy: -11.861
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -12.159
flat angles P-C4'-P energy: -1.501
tors. eta vs tors. theta energy: -12.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -139.880175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.880175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.880175 (E_RNA)
where:
Base-Base interactions energy: -91.832
where: short stacking energy: -38.486
Base-Backbone interact. energy: -0.160
local terms energy: -47.888451
where:
bonds (distance) C4'-P energy: -10.366
bonds (distance) P-C4' energy: -12.743
flat angles C4'-P-C4' energy: -8.594
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -7.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -93.012987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.012987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.012987 (E_RNA)
where:
Base-Base interactions energy: -52.599
where: short stacking energy: -21.651
Base-Backbone interact. energy: 0.359
local terms energy: -40.773299
where:
bonds (distance) C4'-P energy: -9.299
bonds (distance) P-C4' energy: -9.368
flat angles C4'-P-C4' energy: -10.540
flat angles P-C4'-P energy: -9.143
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: 6, replica: 4
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -123.297997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.297997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.297997 (E_RNA)
where:
Base-Base interactions energy: -75.260
where: short stacking energy: -21.652
Base-Backbone interact. energy: -0.071
local terms energy: -47.967721
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -11.454
flat angles C4'-P-C4' energy: -9.972
flat angles P-C4'-P energy: -6.618
tors. eta vs tors. theta energy: -7.619
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: 7, replica: 6
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -119.022398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.022398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.022398 (E_RNA)
where:
Base-Base interactions energy: -73.354
where: short stacking energy: -28.615
Base-Backbone interact. energy: -0.774
local terms energy: -44.894789
where:
bonds (distance) C4'-P energy: -9.630
bonds (distance) P-C4' energy: -8.116
flat angles C4'-P-C4' energy: -12.449
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -6.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -95.518439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.518439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.518439 (E_RNA)
where:
Base-Base interactions energy: -56.979
where: short stacking energy: -30.446
Base-Backbone interact. energy: -0.214
local terms energy: -38.325742
where:
bonds (distance) C4'-P energy: -7.981
bonds (distance) P-C4' energy: -7.981
flat angles C4'-P-C4' energy: -10.789
flat angles P-C4'-P energy: -3.087
tors. eta vs tors. theta energy: -8.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -77.320832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.320832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.320832 (E_RNA)
where:
Base-Base interactions energy: -36.122
where: short stacking energy: -26.630
Base-Backbone interact. energy: -0.170
local terms energy: -41.029312
where:
bonds (distance) C4'-P energy: -5.702
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -9.519
flat angles P-C4'-P energy: -4.713
tors. eta vs tors. theta energy: -7.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -55.461525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.461525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.461525 (E_RNA)
where:
Base-Base interactions energy: -15.408
where: short stacking energy: -12.195
Base-Backbone interact. energy: 0.061
local terms energy: -40.115013
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -10.856
flat angles C4'-P-C4' energy: -9.641
flat angles P-C4'-P energy: -5.655
tors. eta vs tors. theta energy: -1.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -148.079169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.079169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.079169 (E_RNA)
where:
Base-Base interactions energy: -93.429
where: short stacking energy: -38.436
Base-Backbone interact. energy: -0.096
local terms energy: -54.554065
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -9.848
flat angles P-C4'-P energy: -6.590
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: 2, replica: 7
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -155.033555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.033555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.033555 (E_RNA)
where:
Base-Base interactions energy: -102.541
where: short stacking energy: -38.757
Base-Backbone interact. energy: -0.009
local terms energy: -52.483128
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -10.356
flat angles C4'-P-C4' energy: -11.747
flat angles P-C4'-P energy: -6.007
tors. eta vs tors. theta energy: -11.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -140.925662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.925662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.925662 (E_RNA)
where:
Base-Base interactions energy: -88.002
where: short stacking energy: -34.029
Base-Backbone interact. energy: -0.187
local terms energy: -52.736419
where:
bonds (distance) C4'-P energy: -9.807
bonds (distance) P-C4' energy: -13.406
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -6.158
tors. eta vs tors. theta energy: -10.707
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: 10
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -155.406305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.406305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.406305 (E_RNA)
where:
Base-Base interactions energy: -106.099
where: short stacking energy: -42.732
Base-Backbone interact. energy: -0.002
local terms energy: -49.304824
where:
bonds (distance) C4'-P energy: -9.737
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -11.126
flat angles P-C4'-P energy: -3.752
tors. eta vs tors. theta energy: -11.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -125.950780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.950780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.950780 (E_RNA)
where:
Base-Base interactions energy: -75.014
where: short stacking energy: -24.998
Base-Backbone interact. energy: -0.070
local terms energy: -50.867415
where:
bonds (distance) C4'-P energy: -11.241
bonds (distance) P-C4' energy: -11.610
flat angles C4'-P-C4' energy: -9.985
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -8.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -96.710022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.710022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.710022 (E_RNA)
where:
Base-Base interactions energy: -54.672
where: short stacking energy: -27.289
Base-Backbone interact. energy: -0.050
local terms energy: -41.988402
where:
bonds (distance) C4'-P energy: -4.111
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -11.371
flat angles P-C4'-P energy: -4.519
tors. eta vs tors. theta energy: -9.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -107.157901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.157901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.157901 (E_RNA)
where:
Base-Base interactions energy: -70.353
where: short stacking energy: -27.201
Base-Backbone interact. energy: -0.035
local terms energy: -36.770004
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -7.967
flat angles C4'-P-C4' energy: -9.296
flat angles P-C4'-P energy: 1.816
tors. eta vs tors. theta energy: -7.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -59.824275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.824275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.824275 (E_RNA)
where:
Base-Base interactions energy: -21.656
where: short stacking energy: -8.638
Base-Backbone interact. energy: -0.103
local terms energy: -38.064814
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -8.632
flat angles C4'-P-C4' energy: -11.070
flat angles P-C4'-P energy: -5.366
tors. eta vs tors. theta energy: 0.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -65.514707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.514707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.514707 (E_RNA)
where:
Base-Base interactions energy: -20.637
where: short stacking energy: -20.637
Base-Backbone interact. energy: 0.063
local terms energy: -44.941138
where:
bonds (distance) C4'-P energy: -9.137
bonds (distance) P-C4' energy: -9.915
flat angles C4'-P-C4' energy: -11.494
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: -6.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -56.997355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.997355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.997355 (E_RNA)
where:
Base-Base interactions energy: -19.858
where: short stacking energy: -19.858
Base-Backbone interact. energy: -0.031
local terms energy: -37.108501
where:
bonds (distance) C4'-P energy: -11.195
bonds (distance) P-C4' energy: -7.853
flat angles C4'-P-C4' energy: -12.307
flat angles P-C4'-P energy: -5.353
tors. eta vs tors. theta energy: -0.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -156.656738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.656738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.656738 (E_RNA)
where:
Base-Base interactions energy: -102.054
where: short stacking energy: -42.546
Base-Backbone interact. energy: -1.036
local terms energy: -53.566049
where:
bonds (distance) C4'-P energy: -12.375
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -10.244
flat angles P-C4'-P energy: -5.345
tors. eta vs tors. theta energy: -14.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -148.348797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.348797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.348797 (E_RNA)
where:
Base-Base interactions energy: -99.527
where: short stacking energy: -37.687
Base-Backbone interact. energy: -0.089
local terms energy: -48.732544
where:
bonds (distance) C4'-P energy: -13.637
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -2.465
tors. eta vs tors. theta energy: -8.002
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: 7
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -146.050169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.050169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.050169 (E_RNA)
where:
Base-Base interactions energy: -95.337
where: short stacking energy: -32.208
Base-Backbone interact. energy: -0.072
local terms energy: -50.641145
where:
bonds (distance) C4'-P energy: -10.535
bonds (distance) P-C4' energy: -10.185
flat angles C4'-P-C4' energy: -11.635
flat angles P-C4'-P energy: -6.063
tors. eta vs tors. theta energy: -12.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -143.025054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.025054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.025054 (E_RNA)
where:
Base-Base interactions energy: -87.708
where: short stacking energy: -37.080
Base-Backbone interact. energy: -0.101
local terms energy: -55.215598
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -10.175
flat angles P-C4'-P energy: -6.395
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: 5, replica: 4
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -129.200693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.200693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.200693 (E_RNA)
where:
Base-Base interactions energy: -79.509
where: short stacking energy: -35.679
Base-Backbone interact. energy: -0.064
local terms energy: -49.626988
where:
bonds (distance) C4'-P energy: -10.871
bonds (distance) P-C4' energy: -11.585
flat angles C4'-P-C4' energy: -10.375
flat angles P-C4'-P energy: -5.947
tors. eta vs tors. theta energy: -10.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -93.663778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.663778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.663778 (E_RNA)
where:
Base-Base interactions energy: -51.552
where: short stacking energy: -20.721
Base-Backbone interact. energy: -0.036
local terms energy: -42.076392
where:
bonds (distance) C4'-P energy: -10.595
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -9.150
flat angles P-C4'-P energy: -7.637
tors. eta vs tors. theta energy: -0.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -69.529409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.529409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.529409 (E_RNA)
where:
Base-Base interactions energy: -34.056
where: short stacking energy: -21.792
Base-Backbone interact. energy: -0.139
local terms energy: -35.334286
where:
bonds (distance) C4'-P energy: -9.195
bonds (distance) P-C4' energy: -8.637
flat angles C4'-P-C4' energy: -10.762
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: 1.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -65.446694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.446694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.446694 (E_RNA)
where:
Base-Base interactions energy: -28.772
where: short stacking energy: -13.041
Base-Backbone interact. energy: -0.037
local terms energy: -36.638315
where:
bonds (distance) C4'-P energy: -8.851
bonds (distance) P-C4' energy: -6.791
flat angles C4'-P-C4' energy: -10.306
flat angles P-C4'-P energy: -6.751
tors. eta vs tors. theta energy: -3.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -52.652615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.652615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.652615 (E_RNA)
where:
Base-Base interactions energy: -14.754
where: short stacking energy: -13.907
Base-Backbone interact. energy: -0.102
local terms energy: -37.797159
where:
bonds (distance) C4'-P energy: -12.009
bonds (distance) P-C4' energy: -11.556
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -2.600
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: 10, replica: 8
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -65.908717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.908717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.908717 (E_RNA)
where:
Base-Base interactions energy: -28.508
where: short stacking energy: -18.952
Base-Backbone interact. energy: -0.183
local terms energy: -37.218161
where:
bonds (distance) C4'-P energy: -11.604
bonds (distance) P-C4' energy: -7.986
flat angles C4'-P-C4' energy: -10.507
flat angles P-C4'-P energy: -6.606
tors. eta vs tors. theta energy: -0.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -152.795753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.795753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.795753 (E_RNA)
where:
Base-Base interactions energy: -95.832
where: short stacking energy: -40.424
Base-Backbone interact. energy: 0.162
local terms energy: -57.126044
where:
bonds (distance) C4'-P energy: -10.971
bonds (distance) P-C4' energy: -12.865
flat angles C4'-P-C4' energy: -11.370
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -13.914
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: 9
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -144.499975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.499975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.499975 (E_RNA)
where:
Base-Base interactions energy: -98.154
where: short stacking energy: -27.778
Base-Backbone interact. energy: -0.053
local terms energy: -46.293259
where:
bonds (distance) C4'-P energy: -11.207
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -12.111
flat angles P-C4'-P energy: -5.467
tors. eta vs tors. theta energy: -5.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -154.554170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.554170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.554170 (E_RNA)
where:
Base-Base interactions energy: -97.889
where: short stacking energy: -36.106
Base-Backbone interact. energy: -0.089
local terms energy: -56.575973
where:
bonds (distance) C4'-P energy: -10.652
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -12.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -147.826930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.826930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.826930 (E_RNA)
where:
Base-Base interactions energy: -94.473
where: short stacking energy: -40.624
Base-Backbone interact. energy: -0.374
local terms energy: -52.980502
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -10.670
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -5.459
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: 5, replica: 4
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -141.667704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.667704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.667704 (E_RNA)
where:
Base-Base interactions energy: -97.292
where: short stacking energy: -35.055
Base-Backbone interact. energy: -0.077
local terms energy: -44.298757
where:
bonds (distance) C4'-P energy: -8.938
bonds (distance) P-C4' energy: -8.448
flat angles C4'-P-C4' energy: -10.920
flat angles P-C4'-P energy: -6.375
tors. eta vs tors. theta energy: -9.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -79.879792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.879792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.879792 (E_RNA)
where:
Base-Base interactions energy: -40.795
where: short stacking energy: -17.903
Base-Backbone interact. energy: -0.190
local terms energy: -38.894751
where:
bonds (distance) C4'-P energy: -5.010
bonds (distance) P-C4' energy: -12.038
flat angles C4'-P-C4' energy: -10.643
flat angles P-C4'-P energy: -6.579
tors. eta vs tors. theta energy: -4.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -73.013363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.013363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.013363 (E_RNA)
where:
Base-Base interactions energy: -34.202
where: short stacking energy: -19.335
Base-Backbone interact. energy: -0.096
local terms energy: -38.715625
where:
bonds (distance) C4'-P energy: -11.063
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -9.967
flat angles P-C4'-P energy: -3.661
tors. eta vs tors. theta energy: -1.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -63.067880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.067880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.067880 (E_RNA)
where:
Base-Base interactions energy: -27.270
where: short stacking energy: -27.270
Base-Backbone interact. energy: -0.030
local terms energy: -35.767965
where:
bonds (distance) C4'-P energy: -8.140
bonds (distance) P-C4' energy: -9.393
flat angles C4'-P-C4' energy: -8.325
flat angles P-C4'-P energy: -4.935
tors. eta vs tors. theta energy: -4.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -62.965830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.965830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.965830 (E_RNA)
where:
Base-Base interactions energy: -24.563
where: short stacking energy: -7.920
Base-Backbone interact. energy: -1.447
local terms energy: -36.956248
where:
bonds (distance) C4'-P energy: -10.077
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -5.909
tors. eta vs tors. theta energy: 1.983
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: 408
Temperature: 1.350000
Total energy: -53.094147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.094147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.094147 (E_RNA)
where:
Base-Base interactions energy: -18.444
where: short stacking energy: -15.879
Base-Backbone interact. energy: -0.757
local terms energy: -33.893921
where:
bonds (distance) C4'-P energy: -9.383
bonds (distance) P-C4' energy: -8.777
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -5.878
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: 1, replica: 5
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -149.487013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.487013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.487013 (E_RNA)
where:
Base-Base interactions energy: -93.691
where: short stacking energy: -31.521
Base-Backbone interact. energy: -0.188
local terms energy: -55.607678
where:
bonds (distance) C4'-P energy: -11.211
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -11.248
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: -11.211
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: 9
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -148.642979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.642979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.642979 (E_RNA)
where:
Base-Base interactions energy: -100.802
where: short stacking energy: -36.716
Base-Backbone interact. energy: -0.074
local terms energy: -47.766885
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -8.577
flat angles C4'-P-C4' energy: -10.120
flat angles P-C4'-P energy: -7.667
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: 3, replica: 10
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -144.903364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.903364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.903364 (E_RNA)
where:
Base-Base interactions energy: -90.534
where: short stacking energy: -35.943
Base-Backbone interact. energy: -0.128
local terms energy: -54.240957
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -11.650
flat angles C4'-P-C4' energy: -12.178
flat angles P-C4'-P energy: -6.793
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: 4, replica: 4
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -144.777615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.777615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.777615 (E_RNA)
where:
Base-Base interactions energy: -97.750
where: short stacking energy: -36.055
Base-Backbone interact. energy: -0.042
local terms energy: -46.986430
where:
bonds (distance) C4'-P energy: -10.607
bonds (distance) P-C4' energy: -10.521
flat angles C4'-P-C4' energy: -11.109
flat angles P-C4'-P energy: -6.209
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: 5, replica: 7
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -137.139061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.139061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.139061 (E_RNA)
where:
Base-Base interactions energy: -87.875
where: short stacking energy: -37.034
Base-Backbone interact. energy: -0.462
local terms energy: -48.801682
where:
bonds (distance) C4'-P energy: -8.124
bonds (distance) P-C4' energy: -9.042
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -5.587
tors. eta vs tors. theta energy: -12.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -73.447260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.447260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.447260 (E_RNA)
where:
Base-Base interactions energy: -46.082
where: short stacking energy: -15.485
Base-Backbone interact. energy: -0.026
local terms energy: -27.339720
where:
bonds (distance) C4'-P energy: -5.539
bonds (distance) P-C4' energy: -11.183
flat angles C4'-P-C4' energy: -1.840
flat angles P-C4'-P energy: -6.213
tors. eta vs tors. theta energy: -2.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -80.424120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.424120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.424120 (E_RNA)
where:
Base-Base interactions energy: -44.922
where: short stacking energy: -21.447
Base-Backbone interact. energy: -0.205
local terms energy: -35.297365
where:
bonds (distance) C4'-P energy: -9.950
bonds (distance) P-C4' energy: -9.464
flat angles C4'-P-C4' energy: -10.090
flat angles P-C4'-P energy: -4.751
tors. eta vs tors. theta energy: -1.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -62.065194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.065194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.065194 (E_RNA)
where:
Base-Base interactions energy: -17.058
where: short stacking energy: -17.058
Base-Backbone interact. energy: -0.064
local terms energy: -44.943044
where:
bonds (distance) C4'-P energy: -10.838
bonds (distance) P-C4' energy: -14.926
flat angles C4'-P-C4' energy: -5.139
flat angles P-C4'-P energy: -6.491
tors. eta vs tors. theta energy: -7.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -57.633127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.633127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.633127 (E_RNA)
where:
Base-Base interactions energy: -16.806
where: short stacking energy: -15.324
Base-Backbone interact. energy: -0.590
local terms energy: -40.236561
where:
bonds (distance) C4'-P energy: -8.147
bonds (distance) P-C4' energy: -10.451
flat angles C4'-P-C4' energy: -8.051
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -4.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -57.209875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.209875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.209875 (E_RNA)
where:
Base-Base interactions energy: -16.214
where: short stacking energy: -12.973
Base-Backbone interact. energy: -1.836
local terms energy: -39.160019
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -5.697
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -5.540
tors. eta vs tors. theta energy: -2.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -162.270128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.270128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.270128 (E_RNA)
where:
Base-Base interactions energy: -107.178
where: short stacking energy: -32.898
Base-Backbone interact. energy: -0.060
local terms energy: -55.031185
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -10.070
flat angles P-C4'-P energy: -4.949
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: 2, replica: 5
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -152.212004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.212004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.212004 (E_RNA)
where:
Base-Base interactions energy: -100.331
where: short stacking energy: -41.789
Base-Backbone interact. energy: -0.076
local terms energy: -51.805294
where:
bonds (distance) C4'-P energy: -11.112
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -11.768
flat angles P-C4'-P energy: -5.384
tors. eta vs tors. theta energy: -10.306
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: 4
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -148.277866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.277866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.277866 (E_RNA)
where:
Base-Base interactions energy: -97.952
where: short stacking energy: -35.852
Base-Backbone interact. energy: -0.106
local terms energy: -50.219095
where:
bonds (distance) C4'-P energy: -11.613
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -5.834
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: 4, replica: 10
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -131.055476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.055476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.055476 (E_RNA)
where:
Base-Base interactions energy: -75.812
where: short stacking energy: -24.809
Base-Backbone interact. energy: -0.039
local terms energy: -55.204693
where:
bonds (distance) C4'-P energy: -11.228
bonds (distance) P-C4' energy: -10.166
flat angles C4'-P-C4' energy: -11.786
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -11.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -142.678237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.678237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.678237 (E_RNA)
where:
Base-Base interactions energy: -94.965
where: short stacking energy: -37.849
Base-Backbone interact. energy: 0.196
local terms energy: -47.909370
where:
bonds (distance) C4'-P energy: -10.465
bonds (distance) P-C4' energy: -9.067
flat angles C4'-P-C4' energy: -10.434
flat angles P-C4'-P energy: -5.323
tors. eta vs tors. theta energy: -12.620
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: 1
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -68.933631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.933631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.933631 (E_RNA)
where:
Base-Base interactions energy: -22.542
where: short stacking energy: -17.844
Base-Backbone interact. energy: 0.503
local terms energy: -46.894391
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -12.483
flat angles P-C4'-P energy: -5.778
tors. eta vs tors. theta energy: -1.824
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: 8
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -72.811722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.811722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.811722 (E_RNA)
where:
Base-Base interactions energy: -38.243
where: short stacking energy: -8.396
Base-Backbone interact. energy: -0.399
local terms energy: -34.169744
where:
bonds (distance) C4'-P energy: -8.764
bonds (distance) P-C4' energy: -9.510
flat angles C4'-P-C4' energy: -10.676
flat angles P-C4'-P energy: -4.095
tors. eta vs tors. theta energy: -1.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -63.775655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.775655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.775655 (E_RNA)
where:
Base-Base interactions energy: -25.580
where: short stacking energy: -14.457
Base-Backbone interact. energy: -0.124
local terms energy: -38.071292
where:
bonds (distance) C4'-P energy: -11.220
bonds (distance) P-C4' energy: -11.404
flat angles C4'-P-C4' energy: -8.869
flat angles P-C4'-P energy: -5.890
tors. eta vs tors. theta energy: -0.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -64.551333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.551333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.551333 (E_RNA)
where:
Base-Base interactions energy: -22.493
where: short stacking energy: -22.493
Base-Backbone interact. energy: -0.001
local terms energy: -42.057974
where:
bonds (distance) C4'-P energy: -11.526
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -6.803
flat angles P-C4'-P energy: -6.898
tors. eta vs tors. theta energy: -4.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -54.746566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.746566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.746566 (E_RNA)
where:
Base-Base interactions energy: -22.372
where: short stacking energy: -17.346
Base-Backbone interact. energy: -0.318
local terms energy: -32.056891
where:
bonds (distance) C4'-P energy: -5.577
bonds (distance) P-C4' energy: -7.666
flat angles C4'-P-C4' energy: -12.562
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: 1.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -140.449814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.449814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.449814 (E_RNA)
where:
Base-Base interactions energy: -85.053
where: short stacking energy: -42.240
Base-Backbone interact. energy: -1.183
local terms energy: -54.213232
where:
bonds (distance) C4'-P energy: -10.519
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: -10.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -155.428550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.428550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.428550 (E_RNA)
where:
Base-Base interactions energy: -103.002
where: short stacking energy: -33.934
Base-Backbone interact. energy: -0.005
local terms energy: -52.420860
where:
bonds (distance) C4'-P energy: -9.447
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -7.392
tors. eta vs tors. theta energy: -8.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -143.985571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.985571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.985571 (E_RNA)
where:
Base-Base interactions energy: -94.433
where: short stacking energy: -36.467
Base-Backbone interact. energy: -0.108
local terms energy: -49.444512
where:
bonds (distance) C4'-P energy: -11.141
bonds (distance) P-C4' energy: -12.677
flat angles C4'-P-C4' energy: -10.985
flat angles P-C4'-P energy: -5.151
tors. eta vs tors. theta energy: -9.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -138.038790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.038790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.038790 (E_RNA)
where:
Base-Base interactions energy: -96.277
where: short stacking energy: -31.372
Base-Backbone interact. energy: 1.482
local terms energy: -43.243625
where:
bonds (distance) C4'-P energy: -6.331
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -10.536
flat angles P-C4'-P energy: -7.241
tors. eta vs tors. theta energy: -6.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -131.934290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.934290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.934290 (E_RNA)
where:
Base-Base interactions energy: -83.425
where: short stacking energy: -37.964
Base-Backbone interact. energy: -0.093
local terms energy: -48.416735
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -11.000
flat angles C4'-P-C4' energy: -8.082
flat angles P-C4'-P energy: -6.367
tors. eta vs tors. theta energy: -11.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -55.401675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.401675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.401675 (E_RNA)
where:
Base-Base interactions energy: -17.276
where: short stacking energy: -17.276
Base-Backbone interact. energy: -0.234
local terms energy: -37.891450
where:
bonds (distance) C4'-P energy: -8.513
bonds (distance) P-C4' energy: -12.543
flat angles C4'-P-C4' energy: -8.009
flat angles P-C4'-P energy: -6.368
tors. eta vs tors. theta energy: -2.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -88.195341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.195341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.195341 (E_RNA)
where:
Base-Base interactions energy: -44.917
where: short stacking energy: -22.450
Base-Backbone interact. energy: -0.074
local terms energy: -43.204228
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -8.720
flat angles P-C4'-P energy: -3.650
tors. eta vs tors. theta energy: -5.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -62.598499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.598499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.598499 (E_RNA)
where:
Base-Base interactions energy: -13.283
where: short stacking energy: -13.283
Base-Backbone interact. energy: -0.015
local terms energy: -49.300592
where:
bonds (distance) C4'-P energy: -7.004
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -9.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -61.904964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.904964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.904964 (E_RNA)
where:
Base-Base interactions energy: -23.078
where: short stacking energy: -10.761
Base-Backbone interact. energy: -0.124
local terms energy: -38.703183
where:
bonds (distance) C4'-P energy: -7.783
bonds (distance) P-C4' energy: -11.218
flat angles C4'-P-C4' energy: -8.639
flat angles P-C4'-P energy: -7.241
tors. eta vs tors. theta energy: -3.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -56.093689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.093689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.093689 (E_RNA)
where:
Base-Base interactions energy: -16.878
where: short stacking energy: -9.679
Base-Backbone interact. energy: 2.147
local terms energy: -41.362676
where:
bonds (distance) C4'-P energy: -12.126
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -12.012
flat angles P-C4'-P energy: -4.573
tors. eta vs tors. theta energy: 2.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -152.252318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.252318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.252318 (E_RNA)
where:
Base-Base interactions energy: -98.511
where: short stacking energy: -32.290
Base-Backbone interact. energy: -0.034
local terms energy: -53.707069
where:
bonds (distance) C4'-P energy: -9.758
bonds (distance) P-C4' energy: -12.304
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: -11.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -147.350315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.350315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.350315 (E_RNA)
where:
Base-Base interactions energy: -93.629
where: short stacking energy: -33.405
Base-Backbone interact. energy: -0.259
local terms energy: -53.461841
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -10.735
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -6.528
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: 10
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -139.867461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.867461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.867461 (E_RNA)
where:
Base-Base interactions energy: -91.109
where: short stacking energy: -26.349
Base-Backbone interact. energy: -0.138
local terms energy: -48.620108
where:
bonds (distance) C4'-P energy: -11.878
bonds (distance) P-C4' energy: -10.364
flat angles C4'-P-C4' energy: -11.838
flat angles P-C4'-P energy: -6.658
tors. eta vs tors. theta energy: -7.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -137.811612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.811612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.811612 (E_RNA)
where:
Base-Base interactions energy: -91.889
where: short stacking energy: -34.242
Base-Backbone interact. energy: 0.098
local terms energy: -46.021175
where:
bonds (distance) C4'-P energy: -10.474
bonds (distance) P-C4' energy: -10.354
flat angles C4'-P-C4' energy: -9.545
flat angles P-C4'-P energy: -3.211
tors. eta vs tors. theta energy: -12.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -134.748317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.748317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.748317 (E_RNA)
where:
Base-Base interactions energy: -83.608
where: short stacking energy: -36.114
Base-Backbone interact. energy: -0.011
local terms energy: -51.128939
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -12.119
flat angles C4'-P-C4' energy: -10.387
flat angles P-C4'-P energy: -6.554
tors. eta vs tors. theta energy: -9.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -73.946060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.946060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.946060 (E_RNA)
where:
Base-Base interactions energy: -25.017
where: short stacking energy: -23.984
Base-Backbone interact. energy: -0.008
local terms energy: -48.920846
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -11.072
flat angles C4'-P-C4' energy: -9.922
flat angles P-C4'-P energy: -9.756
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: 7, replica: 3
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -61.950818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.950818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.950818 (E_RNA)
where:
Base-Base interactions energy: -20.085
where: short stacking energy: -14.975
Base-Backbone interact. energy: -0.026
local terms energy: -41.839976
where:
bonds (distance) C4'-P energy: -9.816
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -11.693
flat angles P-C4'-P energy: -7.275
tors. eta vs tors. theta energy: -0.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -58.243305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.243305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.243305 (E_RNA)
where:
Base-Base interactions energy: -30.000
where: short stacking energy: -17.773
Base-Backbone interact. energy: -0.112
local terms energy: -28.131621
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -4.611
flat angles C4'-P-C4' energy: -8.369
flat angles P-C4'-P energy: -4.033
tors. eta vs tors. theta energy: 1.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -74.404548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.404548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.404548 (E_RNA)
where:
Base-Base interactions energy: -24.410
where: short stacking energy: -24.410
Base-Backbone interact. energy: -0.001
local terms energy: -49.994406
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -10.013
flat angles C4'-P-C4' energy: -11.000
flat angles P-C4'-P energy: -5.951
tors. eta vs tors. theta energy: -8.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -48.426234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.426234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.426234 (E_RNA)
where:
Base-Base interactions energy: -19.154
where: short stacking energy: -19.154
Base-Backbone interact. energy: -0.217
local terms energy: -29.055678
where:
bonds (distance) C4'-P energy: -12.329
bonds (distance) P-C4' energy: -10.715
flat angles C4'-P-C4' energy: -2.601
flat angles P-C4'-P energy: -5.741
tors. eta vs tors. theta energy: 2.330
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: 1, replica: 4
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -152.745244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.745244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.745244 (E_RNA)
where:
Base-Base interactions energy: -101.490
where: short stacking energy: -36.571
Base-Backbone interact. energy: -0.014
local terms energy: -51.241246
where:
bonds (distance) C4'-P energy: -8.938
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -10.301
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -9.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -136.737307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.737307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.737307 (E_RNA)
where:
Base-Base interactions energy: -82.341
where: short stacking energy: -34.114
Base-Backbone interact. energy: -0.450
local terms energy: -53.945553
where:
bonds (distance) C4'-P energy: -10.014
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -11.025
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -10.027
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: 3, replica: 9
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -151.883160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.883160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.883160 (E_RNA)
where:
Base-Base interactions energy: -103.367
where: short stacking energy: -37.176
Base-Backbone interact. energy: -0.107
local terms energy: -48.409015
where:
bonds (distance) C4'-P energy: -10.226
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -11.254
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -6.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -140.437259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.437259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.437259 (E_RNA)
where:
Base-Base interactions energy: -93.500
where: short stacking energy: -35.754
Base-Backbone interact. energy: 0.154
local terms energy: -47.091399
where:
bonds (distance) C4'-P energy: -8.338
bonds (distance) P-C4' energy: -9.154
flat angles C4'-P-C4' energy: -11.418
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: -9.390
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: 7
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -130.738757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.738757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.738757 (E_RNA)
where:
Base-Base interactions energy: -80.293
where: short stacking energy: -41.027
Base-Backbone interact. energy: -0.036
local terms energy: -50.409839
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -10.597
flat angles C4'-P-C4' energy: -9.781
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: -7.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -75.940167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.940167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.940167 (E_RNA)
where:
Base-Base interactions energy: -27.844
where: short stacking energy: -27.844
Base-Backbone interact. energy: -0.050
local terms energy: -48.046330
where:
bonds (distance) C4'-P energy: -11.513
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -10.392
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -4.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -57.511341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.511341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.511341 (E_RNA)
where:
Base-Base interactions energy: -19.883
where: short stacking energy: -11.067
Base-Backbone interact. energy: -0.244
local terms energy: -37.384309
where:
bonds (distance) C4'-P energy: -11.728
bonds (distance) P-C4' energy: -11.078
flat angles C4'-P-C4' energy: -11.773
flat angles P-C4'-P energy: -3.028
tors. eta vs tors. theta energy: 0.222
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: 8, replica: 2
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -72.884765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.884765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.884765 (E_RNA)
where:
Base-Base interactions energy: -34.373
where: short stacking energy: -12.216
Base-Backbone interact. energy: -0.504
local terms energy: -38.007609
where:
bonds (distance) C4'-P energy: -9.890
bonds (distance) P-C4' energy: -9.064
flat angles C4'-P-C4' energy: -12.261
flat angles P-C4'-P energy: -7.855
tors. eta vs tors. theta energy: 1.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -64.904576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.904576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.904576 (E_RNA)
where:
Base-Base interactions energy: -25.388
where: short stacking energy: -18.904
Base-Backbone interact. energy: -0.073
local terms energy: -39.444231
where:
bonds (distance) C4'-P energy: -6.462
bonds (distance) P-C4' energy: -12.072
flat angles C4'-P-C4' energy: -10.856
flat angles P-C4'-P energy: -5.674
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: 10, replica: 6
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -57.655111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.655111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.655111 (E_RNA)
where:
Base-Base interactions energy: -22.411
where: short stacking energy: -13.456
Base-Backbone interact. energy: -0.134
local terms energy: -35.109693
where:
bonds (distance) C4'-P energy: -9.667
bonds (distance) P-C4' energy: -11.347
flat angles C4'-P-C4' energy: -10.289
flat angles P-C4'-P energy: -0.924
tors. eta vs tors. theta energy: -2.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -150.798614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.798614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.798614 (E_RNA)
where:
Base-Base interactions energy: -94.675
where: short stacking energy: -46.355
Base-Backbone interact. energy: -0.022
local terms energy: -56.101407
where:
bonds (distance) C4'-P energy: -10.838
bonds (distance) P-C4' energy: -10.555
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -13.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -143.377706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.377706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.377706 (E_RNA)
where:
Base-Base interactions energy: -86.437
where: short stacking energy: -35.282
Base-Backbone interact. energy: 0.822
local terms energy: -57.762389
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -7.036
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: 3, replica: 5
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -157.706855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.706855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.706855 (E_RNA)
where:
Base-Base interactions energy: -104.806
where: short stacking energy: -43.243
Base-Backbone interact. energy: -0.335
local terms energy: -52.565787
where:
bonds (distance) C4'-P energy: -10.222
bonds (distance) P-C4' energy: -10.666
flat angles C4'-P-C4' energy: -10.829
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -11.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -145.911767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.911767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.911767 (E_RNA)
where:
Base-Base interactions energy: -90.553
where: short stacking energy: -41.859
Base-Backbone interact. energy: -0.122
local terms energy: -55.236606
where:
bonds (distance) C4'-P energy: -11.203
bonds (distance) P-C4' energy: -12.934
flat angles C4'-P-C4' energy: -10.832
flat angles P-C4'-P energy: -6.440
tors. eta vs tors. theta energy: -13.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -124.842382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.842382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.842382 (E_RNA)
where:
Base-Base interactions energy: -84.238
where: short stacking energy: -32.832
Base-Backbone interact. energy: 0.111
local terms energy: -40.715656
where:
bonds (distance) C4'-P energy: -10.346
bonds (distance) P-C4' energy: -10.718
flat angles C4'-P-C4' energy: -8.193
flat angles P-C4'-P energy: -8.612
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: 6, replica: 3
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -63.775347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.775347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.775347 (E_RNA)
where:
Base-Base interactions energy: -17.329
where: short stacking energy: -17.329
Base-Backbone interact. energy: -0.002
local terms energy: -46.444558
where:
bonds (distance) C4'-P energy: -9.308
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -5.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -67.270396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.270396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.270396 (E_RNA)
where:
Base-Base interactions energy: -36.753
where: short stacking energy: -9.099
Base-Backbone interact. energy: -0.149
local terms energy: -30.367677
where:
bonds (distance) C4'-P energy: -10.441
bonds (distance) P-C4' energy: -9.051
flat angles C4'-P-C4' energy: -7.201
flat angles P-C4'-P energy: -3.732
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: 8, replica: 1
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -84.721026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.721026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.721026 (E_RNA)
where:
Base-Base interactions energy: -45.459
where: short stacking energy: -22.782
Base-Backbone interact. energy: -0.538
local terms energy: -38.724002
where:
bonds (distance) C4'-P energy: -8.239
bonds (distance) P-C4' energy: -11.014
flat angles C4'-P-C4' energy: -8.659
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -2.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -53.995869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.995869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.995869 (E_RNA)
where:
Base-Base interactions energy: -18.257
where: short stacking energy: -8.284
Base-Backbone interact. energy: -1.056
local terms energy: -34.682875
where:
bonds (distance) C4'-P energy: -9.667
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -8.930
flat angles P-C4'-P energy: -3.506
tors. eta vs tors. theta energy: 1.201
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: 8
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -55.717184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.717184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.717184 (E_RNA)
where:
Base-Base interactions energy: -12.930
where: short stacking energy: -10.005
Base-Backbone interact. energy: -0.301
local terms energy: -42.486117
where:
bonds (distance) C4'-P energy: -8.405
bonds (distance) P-C4' energy: -10.641
flat angles C4'-P-C4' energy: -11.238
flat angles P-C4'-P energy: -6.793
tors. eta vs tors. theta energy: -5.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -149.767180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.767180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.767180 (E_RNA)
where:
Base-Base interactions energy: -96.262
where: short stacking energy: -38.717
Base-Backbone interact. energy: -0.254
local terms energy: -53.251492
where:
bonds (distance) C4'-P energy: -6.664
bonds (distance) P-C4' energy: -8.820
flat angles C4'-P-C4' energy: -11.385
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -16.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -150.574837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.574837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.574837 (E_RNA)
where:
Base-Base interactions energy: -99.697
where: short stacking energy: -30.019
Base-Backbone interact. energy: -0.011
local terms energy: -50.867263
where:
bonds (distance) C4'-P energy: -12.295
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -10.065
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -8.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -142.123673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.123673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.123673 (E_RNA)
where:
Base-Base interactions energy: -93.060
where: short stacking energy: -43.163
Base-Backbone interact. energy: -0.019
local terms energy: -49.045485
where:
bonds (distance) C4'-P energy: -10.581
bonds (distance) P-C4' energy: -7.166
flat angles C4'-P-C4' energy: -11.710
flat angles P-C4'-P energy: -5.744
tors. eta vs tors. theta energy: -13.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -138.399846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.399846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.399846 (E_RNA)
where:
Base-Base interactions energy: -87.840
where: short stacking energy: -34.287
Base-Backbone interact. energy: 0.186
local terms energy: -50.745804
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -10.190
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: -7.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -128.674609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.674609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.674609 (E_RNA)
where:
Base-Base interactions energy: -82.589
where: short stacking energy: -32.299
Base-Backbone interact. energy: -0.843
local terms energy: -45.242510
where:
bonds (distance) C4'-P energy: -11.335
bonds (distance) P-C4' energy: -7.695
flat angles C4'-P-C4' energy: -9.657
flat angles P-C4'-P energy: -6.961
tors. eta vs tors. theta energy: -9.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -96.695000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.695000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.695000 (E_RNA)
where:
Base-Base interactions energy: -57.806
where: short stacking energy: -15.990
Base-Backbone interact. energy: 0.743
local terms energy: -39.631378
where:
bonds (distance) C4'-P energy: -8.901
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -9.593
flat angles P-C4'-P energy: -4.926
tors. eta vs tors. theta energy: -1.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -64.136805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.136805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.136805 (E_RNA)
where:
Base-Base interactions energy: -23.654
where: short stacking energy: -23.654
Base-Backbone interact. energy: -0.023
local terms energy: -40.459536
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -7.699
flat angles C4'-P-C4' energy: -9.754
flat angles P-C4'-P energy: -4.104
tors. eta vs tors. theta energy: -5.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -60.055515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.055515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.055515 (E_RNA)
where:
Base-Base interactions energy: -23.324
where: short stacking energy: -9.713
Base-Backbone interact. energy: -0.163
local terms energy: -36.569342
where:
bonds (distance) C4'-P energy: -11.612
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -9.529
flat angles P-C4'-P energy: -4.815
tors. eta vs tors. theta energy: 3.138
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: 415
Temperature: 1.300000
Total energy: -75.118031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.118031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.118031 (E_RNA)
where:
Base-Base interactions energy: -34.540
where: short stacking energy: -13.657
Base-Backbone interact. energy: -0.096
local terms energy: -40.482264
where:
bonds (distance) C4'-P energy: -10.030
bonds (distance) P-C4' energy: -12.112
flat angles C4'-P-C4' energy: -11.119
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: 0.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -63.173280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.173280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.173280 (E_RNA)
where:
Base-Base interactions energy: -23.000
where: short stacking energy: -20.523
Base-Backbone interact. energy: -0.035
local terms energy: -40.138415
where:
bonds (distance) C4'-P energy: -9.017
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -9.333
flat angles P-C4'-P energy: -3.391
tors. eta vs tors. theta energy: -5.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -150.504729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.504729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.504729 (E_RNA)
where:
Base-Base interactions energy: -92.063
where: short stacking energy: -36.071
Base-Backbone interact. energy: -0.002
local terms energy: -58.439696
where:
bonds (distance) C4'-P energy: -10.628
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -12.131
flat angles P-C4'-P energy: -7.884
tors. eta vs tors. theta energy: -14.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -154.524481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.524481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.524481 (E_RNA)
where:
Base-Base interactions energy: -101.786
where: short stacking energy: -31.792
Base-Backbone interact. energy: -0.148
local terms energy: -52.590018
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -9.876
flat angles C4'-P-C4' energy: -11.014
flat angles P-C4'-P energy: -7.172
tors. eta vs tors. theta energy: -10.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -141.845108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.845108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.845108 (E_RNA)
where:
Base-Base interactions energy: -87.967
where: short stacking energy: -34.597
Base-Backbone interact. energy: 0.204
local terms energy: -54.082428
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -9.288
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -11.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -146.780528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.780528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.780528 (E_RNA)
where:
Base-Base interactions energy: -92.062
where: short stacking energy: -37.366
Base-Backbone interact. energy: -0.003
local terms energy: -54.715643
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -10.256
flat angles P-C4'-P energy: -6.916
tors. eta vs tors. theta energy: -11.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -139.024645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.024645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.024645 (E_RNA)
where:
Base-Base interactions energy: -86.604
where: short stacking energy: -40.837
Base-Backbone interact. energy: -0.015
local terms energy: -52.405461
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -12.535
flat angles C4'-P-C4' energy: -11.817
flat angles P-C4'-P energy: -3.427
tors. eta vs tors. theta energy: -12.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -125.726267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.726267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.726267 (E_RNA)
where:
Base-Base interactions energy: -74.322
where: short stacking energy: -26.492
Base-Backbone interact. energy: -0.044
local terms energy: -51.360219
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -11.612
flat angles C4'-P-C4' energy: -9.558
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -8.881
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: 6
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -84.700352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.700352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.700352 (E_RNA)
where:
Base-Base interactions energy: -41.759
where: short stacking energy: -14.396
Base-Backbone interact. energy: -0.007
local terms energy: -42.933787
where:
bonds (distance) C4'-P energy: -12.830
bonds (distance) P-C4' energy: -8.570
flat angles C4'-P-C4' energy: -11.831
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -1.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -80.974007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.974007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.974007 (E_RNA)
where:
Base-Base interactions energy: -40.876
where: short stacking energy: -24.921
Base-Backbone interact. energy: 0.056
local terms energy: -40.154110
where:
bonds (distance) C4'-P energy: -9.556
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -7.968
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -2.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -74.076531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.076531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.076531 (E_RNA)
where:
Base-Base interactions energy: -33.544
where: short stacking energy: -22.549
Base-Backbone interact. energy: -0.257
local terms energy: -40.275885
where:
bonds (distance) C4'-P energy: -9.150
bonds (distance) P-C4' energy: -11.259
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -6.282
tors. eta vs tors. theta energy: -0.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -62.813311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.813311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.813311 (E_RNA)
where:
Base-Base interactions energy: -25.962
where: short stacking energy: -13.782
Base-Backbone interact. energy: 0.166
local terms energy: -37.017614
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -10.442
flat angles C4'-P-C4' energy: -8.725
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: 1.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -152.406068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.406068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.406068 (E_RNA)
where:
Base-Base interactions energy: -96.897
where: short stacking energy: -40.763
Base-Backbone interact. energy: -0.020
local terms energy: -55.489047
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -10.011
flat angles P-C4'-P energy: -7.140
tors. eta vs tors. theta energy: -12.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -152.993406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.993406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.993406 (E_RNA)
where:
Base-Base interactions energy: -100.335
where: short stacking energy: -40.889
Base-Backbone interact. energy: -0.093
local terms energy: -52.565776
where:
bonds (distance) C4'-P energy: -10.164
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -9.155
flat angles P-C4'-P energy: -6.834
tors. eta vs tors. theta energy: -13.219
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: 3, replica: 9
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -140.163429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.163429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.163429 (E_RNA)
where:
Base-Base interactions energy: -86.158
where: short stacking energy: -37.128
Base-Backbone interact. energy: -0.001
local terms energy: -54.004911
where:
bonds (distance) C4'-P energy: -11.203
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -2.542
tors. eta vs tors. theta energy: -16.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -132.108419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.108419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.108419 (E_RNA)
where:
Base-Base interactions energy: -84.318
where: short stacking energy: -34.381
Base-Backbone interact. energy: -0.057
local terms energy: -47.732647
where:
bonds (distance) C4'-P energy: -9.332
bonds (distance) P-C4' energy: -8.893
flat angles C4'-P-C4' energy: -11.912
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -9.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -140.543160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.543160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.543160 (E_RNA)
where:
Base-Base interactions energy: -96.855
where: short stacking energy: -35.739
Base-Backbone interact. energy: -0.022
local terms energy: -43.665806
where:
bonds (distance) C4'-P energy: -9.986
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -9.986
flat angles P-C4'-P energy: -3.615
tors. eta vs tors. theta energy: -8.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -120.313541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.313541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.313541 (E_RNA)
where:
Base-Base interactions energy: -80.118
where: short stacking energy: -30.954
Base-Backbone interact. energy: -0.908
local terms energy: -39.287619
where:
bonds (distance) C4'-P energy: -6.545
bonds (distance) P-C4' energy: -6.710
flat angles C4'-P-C4' energy: -9.139
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: -8.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -62.124011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.124011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.124011 (E_RNA)
where:
Base-Base interactions energy: -26.836
where: short stacking energy: -14.502
Base-Backbone interact. energy: -0.028
local terms energy: -35.260611
where:
bonds (distance) C4'-P energy: -11.381
bonds (distance) P-C4' energy: -11.807
flat angles C4'-P-C4' energy: -9.396
flat angles P-C4'-P energy: -6.094
tors. eta vs tors. theta energy: 3.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -75.447608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.447608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.447608 (E_RNA)
where:
Base-Base interactions energy: -38.844
where: short stacking energy: -18.079
Base-Backbone interact. energy: -0.557
local terms energy: -36.046677
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -10.669
flat angles P-C4'-P energy: -3.365
tors. eta vs tors. theta energy: 4.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -71.945439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.945439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.945439 (E_RNA)
where:
Base-Base interactions energy: -35.267
where: short stacking energy: -13.378
Base-Backbone interact. energy: -0.053
local terms energy: -36.626224
where:
bonds (distance) C4'-P energy: -10.479
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -6.812
flat angles P-C4'-P energy: -6.388
tors. eta vs tors. theta energy: -0.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -54.366734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.366734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.366734 (E_RNA)
where:
Base-Base interactions energy: -26.558
where: short stacking energy: -10.857
Base-Backbone interact. energy: -0.508
local terms energy: -27.300210
where:
bonds (distance) C4'-P energy: -11.071
bonds (distance) P-C4' energy: -10.019
flat angles C4'-P-C4' energy: -4.845
flat angles P-C4'-P energy: -0.266
tors. eta vs tors. theta energy: -1.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -159.968660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.968660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.968660 (E_RNA)
where:
Base-Base interactions energy: -105.773
where: short stacking energy: -40.377
Base-Backbone interact. energy: -0.004
local terms energy: -54.190941
where:
bonds (distance) C4'-P energy: -11.770
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -10.838
flat angles P-C4'-P energy: -7.661
tors. eta vs tors. theta energy: -10.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -161.160722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.160722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.160722 (E_RNA)
where:
Base-Base interactions energy: -104.287
where: short stacking energy: -39.900
Base-Backbone interact. energy: -0.214
local terms energy: -56.659981
where:
bonds (distance) C4'-P energy: -13.334
bonds (distance) P-C4' energy: -10.607
flat angles C4'-P-C4' energy: -10.557
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -13.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -142.542886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.542886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.542886 (E_RNA)
where:
Base-Base interactions energy: -93.967
where: short stacking energy: -32.916
Base-Backbone interact. energy: -0.099
local terms energy: -48.477281
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -11.019
flat angles C4'-P-C4' energy: -11.023
flat angles P-C4'-P energy: -4.247
tors. eta vs tors. theta energy: -10.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -132.074633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.074633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.074633 (E_RNA)
where:
Base-Base interactions energy: -81.572
where: short stacking energy: -31.039
Base-Backbone interact. energy: -0.147
local terms energy: -50.355688
where:
bonds (distance) C4'-P energy: -12.101
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -3.480
tors. eta vs tors. theta energy: -10.070
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: 2
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -126.845828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.845828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.845828 (E_RNA)
where:
Base-Base interactions energy: -79.557
where: short stacking energy: -34.963
Base-Backbone interact. energy: -0.008
local terms energy: -47.280875
where:
bonds (distance) C4'-P energy: -10.333
bonds (distance) P-C4' energy: -9.231
flat angles C4'-P-C4' energy: -11.323
flat angles P-C4'-P energy: -7.195
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: 6, replica: 7
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -124.547457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.547457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.547457 (E_RNA)
where:
Base-Base interactions energy: -72.170
where: short stacking energy: -29.684
Base-Backbone interact. energy: -0.215
local terms energy: -52.162545
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -12.229
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -9.416
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: 7, replica: 8
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -98.004369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.004369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.004369 (E_RNA)
where:
Base-Base interactions energy: -64.899
where: short stacking energy: -21.592
Base-Backbone interact. energy: -0.218
local terms energy: -32.887496
where:
bonds (distance) C4'-P energy: -6.400
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -7.325
flat angles P-C4'-P energy: -3.273
tors. eta vs tors. theta energy: -1.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -67.055343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.055343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.055343 (E_RNA)
where:
Base-Base interactions energy: -20.325
where: short stacking energy: -20.325
Base-Backbone interact. energy: -0.030
local terms energy: -46.699457
where:
bonds (distance) C4'-P energy: -9.454
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -11.836
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -3.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -71.313275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.313275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.313275 (E_RNA)
where:
Base-Base interactions energy: -36.230
where: short stacking energy: -16.527
Base-Backbone interact. energy: 0.195
local terms energy: -35.277987
where:
bonds (distance) C4'-P energy: -9.870
bonds (distance) P-C4' energy: -12.089
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -2.514
tors. eta vs tors. theta energy: 1.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -65.923458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.923458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.923458 (E_RNA)
where:
Base-Base interactions energy: -29.960
where: short stacking energy: -21.766
Base-Backbone interact. energy: -0.021
local terms energy: -35.942908
where:
bonds (distance) C4'-P energy: -6.788
bonds (distance) P-C4' energy: -9.774
flat angles C4'-P-C4' energy: -11.949
flat angles P-C4'-P energy: -6.237
tors. eta vs tors. theta energy: -1.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -159.625879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.625879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.625879 (E_RNA)
where:
Base-Base interactions energy: -98.307
where: short stacking energy: -38.661
Base-Backbone interact. energy: -1.420
local terms energy: -59.898300
where:
bonds (distance) C4'-P energy: -13.430
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -11.820
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -11.020
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: 5
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -152.038467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.038467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.038467 (E_RNA)
where:
Base-Base interactions energy: -97.699
where: short stacking energy: -37.786
Base-Backbone interact. energy: -0.014
local terms energy: -54.325651
where:
bonds (distance) C4'-P energy: -11.008
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -11.343
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -9.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -131.341270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.341270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.341270 (E_RNA)
where:
Base-Base interactions energy: -85.745
where: short stacking energy: -31.541
Base-Backbone interact. energy: 1.215
local terms energy: -46.811378
where:
bonds (distance) C4'-P energy: -10.279
bonds (distance) P-C4' energy: -9.274
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -7.126
tors. eta vs tors. theta energy: -6.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -133.840855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.840855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.840855 (E_RNA)
where:
Base-Base interactions energy: -84.743
where: short stacking energy: -26.160
Base-Backbone interact. energy: -0.028
local terms energy: -49.070218
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -10.494
flat angles P-C4'-P energy: -5.704
tors. eta vs tors. theta energy: -5.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -149.301678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.301678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.301678 (E_RNA)
where:
Base-Base interactions energy: -100.217
where: short stacking energy: -35.383
Base-Backbone interact. energy: -0.014
local terms energy: -49.070459
where:
bonds (distance) C4'-P energy: -12.002
bonds (distance) P-C4' energy: -10.461
flat angles C4'-P-C4' energy: -10.550
flat angles P-C4'-P energy: -6.608
tors. eta vs tors. theta energy: -9.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -125.982023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.982023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.982023 (E_RNA)
where:
Base-Base interactions energy: -76.211
where: short stacking energy: -33.222
Base-Backbone interact. energy: 0.298
local terms energy: -50.069264
where:
bonds (distance) C4'-P energy: -9.241
bonds (distance) P-C4' energy: -11.242
flat angles C4'-P-C4' energy: -9.023
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -11.138
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: 8
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -72.872903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.872903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.872903 (E_RNA)
where:
Base-Base interactions energy: -28.078
where: short stacking energy: -25.184
Base-Backbone interact. energy: -0.000
local terms energy: -44.794703
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -9.816
flat angles C4'-P-C4' energy: -8.208
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -4.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -62.824504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.824504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.824504 (E_RNA)
where:
Base-Base interactions energy: -23.482
where: short stacking energy: -19.605
Base-Backbone interact. energy: -0.027
local terms energy: -39.315273
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -11.007
flat angles C4'-P-C4' energy: -7.270
flat angles P-C4'-P energy: -6.357
tors. eta vs tors. theta energy: -1.979
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: 419
Temperature: 1.300000
Total energy: -63.332814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.332814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.332814 (E_RNA)
where:
Base-Base interactions energy: -27.908
where: short stacking energy: -10.188
Base-Backbone interact. energy: -0.289
local terms energy: -35.135551
where:
bonds (distance) C4'-P energy: -10.317
bonds (distance) P-C4' energy: -11.729
flat angles C4'-P-C4' energy: -9.054
flat angles P-C4'-P energy: -6.378
tors. eta vs tors. theta energy: 2.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -65.248640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.248640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.248640 (E_RNA)
where:
Base-Base interactions energy: -22.072
where: short stacking energy: -20.288
Base-Backbone interact. energy: -0.308
local terms energy: -42.868161
where:
bonds (distance) C4'-P energy: -10.301
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -9.590
flat angles P-C4'-P energy: -5.905
tors. eta vs tors. theta energy: -3.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -152.854727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.854727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.854727 (E_RNA)
where:
Base-Base interactions energy: -92.936
where: short stacking energy: -42.716
Base-Backbone interact. energy: -0.155
local terms energy: -59.764178
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -11.543
flat angles P-C4'-P energy: -10.457
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: 2, replica: 10
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -145.841570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.841570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.841570 (E_RNA)
where:
Base-Base interactions energy: -97.576
where: short stacking energy: -38.159
Base-Backbone interact. energy: -0.012
local terms energy: -48.253570
where:
bonds (distance) C4'-P energy: -9.252
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -9.152
flat angles P-C4'-P energy: -6.649
tors. eta vs tors. theta energy: -9.777
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: 2
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -138.298043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.298043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.298043 (E_RNA)
where:
Base-Base interactions energy: -88.796
where: short stacking energy: -28.976
Base-Backbone interact. energy: -0.249
local terms energy: -49.252348
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -7.580
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -6.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -137.423946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.423946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.423946 (E_RNA)
where:
Base-Base interactions energy: -82.492
where: short stacking energy: -36.874
Base-Backbone interact. energy: -0.899
local terms energy: -54.032552
where:
bonds (distance) C4'-P energy: -11.294
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -10.221
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -10.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -116.473448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.473448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.473448 (E_RNA)
where:
Base-Base interactions energy: -69.185
where: short stacking energy: -27.907
Base-Backbone interact. energy: -0.136
local terms energy: -47.152281
where:
bonds (distance) C4'-P energy: -12.180
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -9.312
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: -5.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -131.229067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.229067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.229067 (E_RNA)
where:
Base-Base interactions energy: -82.233
where: short stacking energy: -30.460
Base-Backbone interact. energy: -0.167
local terms energy: -48.828861
where:
bonds (distance) C4'-P energy: -9.124
bonds (distance) P-C4' energy: -10.477
flat angles C4'-P-C4' energy: -7.807
flat angles P-C4'-P energy: -9.070
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: 7, replica: 6
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -84.439418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.439418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.439418 (E_RNA)
where:
Base-Base interactions energy: -41.594
where: short stacking energy: -13.367
Base-Backbone interact. energy: -0.208
local terms energy: -42.637782
where:
bonds (distance) C4'-P energy: -10.859
bonds (distance) P-C4' energy: -8.680
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -5.676
tors. eta vs tors. theta energy: -3.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -64.419501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.419501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.419501 (E_RNA)
where:
Base-Base interactions energy: -30.093
where: short stacking energy: -21.471
Base-Backbone interact. energy: 2.775
local terms energy: -37.102121
where:
bonds (distance) C4'-P energy: -9.729
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -8.076
flat angles P-C4'-P energy: -6.955
tors. eta vs tors. theta energy: 0.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -66.327885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.327885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.327885 (E_RNA)
where:
Base-Base interactions energy: -18.541
where: short stacking energy: -18.541
Base-Backbone interact. energy: -0.037
local terms energy: -47.749711
where:
bonds (distance) C4'-P energy: -10.156
bonds (distance) P-C4' energy: -12.635
flat angles C4'-P-C4' energy: -11.725
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -3.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -56.205607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.205607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.205607 (E_RNA)
where:
Base-Base interactions energy: -25.110
where: short stacking energy: -13.905
Base-Backbone interact. energy: -1.063
local terms energy: -30.032724
where:
bonds (distance) C4'-P energy: -9.977
bonds (distance) P-C4' energy: -5.693
flat angles C4'-P-C4' energy: -5.825
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: 0.802
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: 5
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -150.235571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.235571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.235571 (E_RNA)
where:
Base-Base interactions energy: -92.475
where: short stacking energy: -37.177
Base-Backbone interact. energy: -0.132
local terms energy: -57.628245
where:
bonds (distance) C4'-P energy: -10.802
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -11.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -143.150266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.150266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.150266 (E_RNA)
where:
Base-Base interactions energy: -90.135
where: short stacking energy: -35.989
Base-Backbone interact. energy: -0.047
local terms energy: -52.967739
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -12.153
flat angles P-C4'-P energy: -4.996
tors. eta vs tors. theta energy: -11.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -138.080834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.080834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.080834 (E_RNA)
where:
Base-Base interactions energy: -87.539
where: short stacking energy: -33.321
Base-Backbone interact. energy: -0.144
local terms energy: -50.397219
where:
bonds (distance) C4'-P energy: -10.884
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -4.680
tors. eta vs tors. theta energy: -7.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -121.946985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.946985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.946985 (E_RNA)
where:
Base-Base interactions energy: -72.180
where: short stacking energy: -30.843
Base-Backbone interact. energy: -0.108
local terms energy: -49.659714
where:
bonds (distance) C4'-P energy: -10.351
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -8.961
flat angles P-C4'-P energy: -7.239
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: 5, replica: 4
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -139.884695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.884695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.884695 (E_RNA)
where:
Base-Base interactions energy: -88.658
where: short stacking energy: -37.526
Base-Backbone interact. energy: -0.007
local terms energy: -51.220088
where:
bonds (distance) C4'-P energy: -6.748
bonds (distance) P-C4' energy: -10.264
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -12.290
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: 9
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -115.106497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.106497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.106497 (E_RNA)
where:
Base-Base interactions energy: -66.106
where: short stacking energy: -32.735
Base-Backbone interact. energy: -0.102
local terms energy: -48.899159
where:
bonds (distance) C4'-P energy: -8.521
bonds (distance) P-C4' energy: -9.912
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -6.659
tors. eta vs tors. theta energy: -8.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -77.908883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.908883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.908883 (E_RNA)
where:
Base-Base interactions energy: -29.108
where: short stacking energy: -29.108
Base-Backbone interact. energy: -0.012
local terms energy: -48.788685
where:
bonds (distance) C4'-P energy: -11.017
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -8.547
flat angles P-C4'-P energy: -5.296
tors. eta vs tors. theta energy: -11.016
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: 3
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -63.786609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.786609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.786609 (E_RNA)
where:
Base-Base interactions energy: -17.577
where: short stacking energy: -17.577
Base-Backbone interact. energy: -0.058
local terms energy: -46.150807
where:
bonds (distance) C4'-P energy: -9.513
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -11.315
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: -2.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -59.833870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.833870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.833870 (E_RNA)
where:
Base-Base interactions energy: -24.875
where: short stacking energy: -17.646
Base-Backbone interact. energy: -0.711
local terms energy: -34.247707
where:
bonds (distance) C4'-P energy: -11.452
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -8.113
flat angles P-C4'-P energy: -3.829
tors. eta vs tors. theta energy: 1.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -61.577244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.577244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.577244 (E_RNA)
where:
Base-Base interactions energy: -22.347
where: short stacking energy: -18.296
Base-Backbone interact. energy: -0.400
local terms energy: -38.829975
where:
bonds (distance) C4'-P energy: -8.896
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -10.219
flat angles P-C4'-P energy: -5.195
tors. eta vs tors. theta energy: -3.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -157.084000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.084000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.084000 (E_RNA)
where:
Base-Base interactions energy: -105.169
where: short stacking energy: -33.922
Base-Backbone interact. energy: -0.105
local terms energy: -51.810301
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -12.556
flat angles C4'-P-C4' energy: -10.616
flat angles P-C4'-P energy: -4.607
tors. eta vs tors. theta energy: -11.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -150.751808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.751808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.751808 (E_RNA)
where:
Base-Base interactions energy: -93.063
where: short stacking energy: -30.351
Base-Backbone interact. energy: -1.143
local terms energy: -56.545689
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -5.579
tors. eta vs tors. theta energy: -12.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -142.849473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.849473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.849473 (E_RNA)
where:
Base-Base interactions energy: -89.311
where: short stacking energy: -35.172
Base-Backbone interact. energy: 0.488
local terms energy: -54.026064
where:
bonds (distance) C4'-P energy: -11.738
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -10.487
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: -8.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -130.755794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.755794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.755794 (E_RNA)
where:
Base-Base interactions energy: -81.044
where: short stacking energy: -42.500
Base-Backbone interact. energy: -0.063
local terms energy: -49.648119
where:
bonds (distance) C4'-P energy: -9.539
bonds (distance) P-C4' energy: -10.161
flat angles C4'-P-C4' energy: -8.264
flat angles P-C4'-P energy: -5.737
tors. eta vs tors. theta energy: -15.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -142.166087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.166087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.166087 (E_RNA)
where:
Base-Base interactions energy: -94.939
where: short stacking energy: -36.974
Base-Backbone interact. energy: -0.003
local terms energy: -47.223781
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -9.588
flat angles C4'-P-C4' energy: -10.309
flat angles P-C4'-P energy: -4.788
tors. eta vs tors. theta energy: -10.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -123.759765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.759765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.759765 (E_RNA)
where:
Base-Base interactions energy: -76.890
where: short stacking energy: -25.410
Base-Backbone interact. energy: -0.957
local terms energy: -45.912757
where:
bonds (distance) C4'-P energy: -8.905
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -3.305
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: 7, replica: 3
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -83.631111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.631111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.631111 (E_RNA)
where:
Base-Base interactions energy: -45.875
where: short stacking energy: -23.858
Base-Backbone interact. energy: -0.620
local terms energy: -37.136658
where:
bonds (distance) C4'-P energy: -8.719
bonds (distance) P-C4' energy: -9.129
flat angles C4'-P-C4' energy: -7.117
flat angles P-C4'-P energy: -4.741
tors. eta vs tors. theta energy: -7.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -63.432049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.432049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.432049 (E_RNA)
where:
Base-Base interactions energy: -23.418
where: short stacking energy: -23.193
Base-Backbone interact. energy: -0.017
local terms energy: -39.997018
where:
bonds (distance) C4'-P energy: -7.063
bonds (distance) P-C4' energy: -11.119
flat angles C4'-P-C4' energy: -11.206
flat angles P-C4'-P energy: -4.894
tors. eta vs tors. theta energy: -5.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -63.425381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.425381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.425381 (E_RNA)
where:
Base-Base interactions energy: -28.608
where: short stacking energy: -15.371
Base-Backbone interact. energy: -0.100
local terms energy: -34.716814
where:
bonds (distance) C4'-P energy: -9.487
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -9.185
flat angles P-C4'-P energy: -6.080
tors. eta vs tors. theta energy: 3.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -65.590890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.590890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.590890 (E_RNA)
where:
Base-Base interactions energy: -32.695
where: short stacking energy: -21.914
Base-Backbone interact. energy: -0.085
local terms energy: -32.811177
where:
bonds (distance) C4'-P energy: -9.100
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -5.452
flat angles P-C4'-P energy: -4.510
tors. eta vs tors. theta energy: -1.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -146.903203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.903203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.903203 (E_RNA)
where:
Base-Base interactions energy: -95.107
where: short stacking energy: -36.070
Base-Backbone interact. energy: -0.076
local terms energy: -51.720093
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -10.358
flat angles C4'-P-C4' energy: -11.884
flat angles P-C4'-P energy: -6.826
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: 2, replica: 10
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -140.659638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.659638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.659638 (E_RNA)
where:
Base-Base interactions energy: -87.116
where: short stacking energy: -32.518
Base-Backbone interact. energy: -0.146
local terms energy: -53.398493
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -10.936
flat angles C4'-P-C4' energy: -11.413
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -10.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -146.049294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.049294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.049294 (E_RNA)
where:
Base-Base interactions energy: -88.830
where: short stacking energy: -40.316
Base-Backbone interact. energy: -0.003
local terms energy: -57.216716
where:
bonds (distance) C4'-P energy: -10.645
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -11.446
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -11.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -137.325407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.325407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.325407 (E_RNA)
where:
Base-Base interactions energy: -86.578
where: short stacking energy: -32.885
Base-Backbone interact. energy: 0.041
local terms energy: -50.788194
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -11.387
flat angles C4'-P-C4' energy: -10.525
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -8.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -136.062242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.062242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.062242 (E_RNA)
where:
Base-Base interactions energy: -83.156
where: short stacking energy: -33.564
Base-Backbone interact. energy: -0.034
local terms energy: -52.872305
where:
bonds (distance) C4'-P energy: -11.248
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -11.364
flat angles P-C4'-P energy: -6.197
tors. eta vs tors. theta energy: -10.105
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: 9
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -116.773185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.773185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.773185 (E_RNA)
where:
Base-Base interactions energy: -71.103
where: short stacking energy: -21.612
Base-Backbone interact. energy: -0.088
local terms energy: -45.582265
where:
bonds (distance) C4'-P energy: -12.809
bonds (distance) P-C4' energy: -10.851
flat angles C4'-P-C4' energy: -8.993
flat angles P-C4'-P energy: -7.804
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: 7, replica: 3
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -74.939981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.939981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.939981 (E_RNA)
where:
Base-Base interactions energy: -29.252
where: short stacking energy: -24.422
Base-Backbone interact. energy: -0.042
local terms energy: -45.645941
where:
bonds (distance) C4'-P energy: -12.192
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -9.321
flat angles P-C4'-P energy: -2.461
tors. eta vs tors. theta energy: -11.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -57.474968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.474968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.474968 (E_RNA)
where:
Base-Base interactions energy: -16.239
where: short stacking energy: -16.239
Base-Backbone interact. energy: -0.079
local terms energy: -41.156211
where:
bonds (distance) C4'-P energy: -6.794
bonds (distance) P-C4' energy: -11.080
flat angles C4'-P-C4' energy: -11.024
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -4.763
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: 9, replica: 6
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -56.662392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.662392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.662392 (E_RNA)
where:
Base-Base interactions energy: -19.928
where: short stacking energy: -9.263
Base-Backbone interact. energy: -0.301
local terms energy: -36.433982
where:
bonds (distance) C4'-P energy: -9.692
bonds (distance) P-C4' energy: -10.147
flat angles C4'-P-C4' energy: -10.686
flat angles P-C4'-P energy: -5.713
tors. eta vs tors. theta energy: -0.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -55.430423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.430423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.430423 (E_RNA)
where:
Base-Base interactions energy: -15.753
where: short stacking energy: -15.753
Base-Backbone interact. energy: -1.057
local terms energy: -38.620324
where:
bonds (distance) C4'-P energy: -9.852
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -6.416
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -1.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -153.722966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.722966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.722966 (E_RNA)
where:
Base-Base interactions energy: -97.316
where: short stacking energy: -38.500
Base-Backbone interact. energy: -0.003
local terms energy: -56.404490
where:
bonds (distance) C4'-P energy: -12.180
bonds (distance) P-C4' energy: -12.517
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: -11.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -147.595067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.595067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.595067 (E_RNA)
where:
Base-Base interactions energy: -89.329
where: short stacking energy: -41.546
Base-Backbone interact. energy: -0.143
local terms energy: -58.123321
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -11.088
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -15.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -140.436623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.436623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.436623 (E_RNA)
where:
Base-Base interactions energy: -94.632
where: short stacking energy: -33.691
Base-Backbone interact. energy: -0.298
local terms energy: -45.506241
where:
bonds (distance) C4'-P energy: -9.638
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -10.459
flat angles P-C4'-P energy: -4.218
tors. eta vs tors. theta energy: -8.324
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: 424
Temperature: 1.050000
Total energy: -138.514305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.514305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.514305 (E_RNA)
where:
Base-Base interactions energy: -85.209
where: short stacking energy: -35.648
Base-Backbone interact. energy: -0.011
local terms energy: -53.293566
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -9.976
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -8.957
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: 5, replica: 4
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -134.181177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.181177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.181177 (E_RNA)
where:
Base-Base interactions energy: -82.499
where: short stacking energy: -29.103
Base-Backbone interact. energy: -0.199
local terms energy: -51.483399
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -13.178
flat angles C4'-P-C4' energy: -10.998
flat angles P-C4'-P energy: -6.790
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: 6, replica: 9
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -105.340494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.340494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.340494 (E_RNA)
where:
Base-Base interactions energy: -55.538
where: short stacking energy: -34.844
Base-Backbone interact. energy: -0.014
local terms energy: -49.788940
where:
bonds (distance) C4'-P energy: -10.901
bonds (distance) P-C4' energy: -5.601
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -5.074
tors. eta vs tors. theta energy: -13.757
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: 3
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -79.911033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.911033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.911033 (E_RNA)
where:
Base-Base interactions energy: -40.340
where: short stacking energy: -10.865
Base-Backbone interact. energy: -0.039
local terms energy: -39.532407
where:
bonds (distance) C4'-P energy: -6.893
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -9.296
flat angles P-C4'-P energy: -7.022
tors. eta vs tors. theta energy: -2.308
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: 8, replica: 1
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -56.833497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.833497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.833497 (E_RNA)
where:
Base-Base interactions energy: -16.590
where: short stacking energy: -12.578
Base-Backbone interact. energy: -0.814
local terms energy: -39.429512
where:
bonds (distance) C4'-P energy: -9.091
bonds (distance) P-C4' energy: -11.617
flat angles C4'-P-C4' energy: -11.910
flat angles P-C4'-P energy: -4.325
tors. eta vs tors. theta energy: -2.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -59.177480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.177480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.177480 (E_RNA)
where:
Base-Base interactions energy: -15.652
where: short stacking energy: -15.652
Base-Backbone interact. energy: -0.130
local terms energy: -43.395100
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -8.367
flat angles P-C4'-P energy: -5.761
tors. eta vs tors. theta energy: -3.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -58.412067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.412067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.412067 (E_RNA)
where:
Base-Base interactions energy: -19.266
where: short stacking energy: -9.057
Base-Backbone interact. energy: 0.215
local terms energy: -39.361334
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -8.897
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -7.168
tors. eta vs tors. theta energy: 0.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -157.773226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.773226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.773226 (E_RNA)
where:
Base-Base interactions energy: -104.797
where: short stacking energy: -37.046
Base-Backbone interact. energy: -0.092
local terms energy: -52.883499
where:
bonds (distance) C4'-P energy: -11.070
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -12.617
flat angles P-C4'-P energy: -2.471
tors. eta vs tors. theta energy: -12.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -138.746465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.746465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.746465 (E_RNA)
where:
Base-Base interactions energy: -83.805
where: short stacking energy: -36.992
Base-Backbone interact. energy: -0.097
local terms energy: -54.843957
where:
bonds (distance) C4'-P energy: -11.576
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -10.884
flat angles P-C4'-P energy: -8.945
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: 3, replica: 2
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -127.347300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.347300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.347300 (E_RNA)
where:
Base-Base interactions energy: -73.205
where: short stacking energy: -34.982
Base-Backbone interact. energy: -0.000
local terms energy: -54.141409
where:
bonds (distance) C4'-P energy: -9.741
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -12.222
flat angles P-C4'-P energy: -7.410
tors. eta vs tors. theta energy: -10.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -142.313077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.313077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.313077 (E_RNA)
where:
Base-Base interactions energy: -92.436
where: short stacking energy: -33.928
Base-Backbone interact. energy: -0.384
local terms energy: -49.492960
where:
bonds (distance) C4'-P energy: -11.372
bonds (distance) P-C4' energy: -11.153
flat angles C4'-P-C4' energy: -11.022
flat angles P-C4'-P energy: -6.025
tors. eta vs tors. theta energy: -9.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -132.804961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.804961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.804961 (E_RNA)
where:
Base-Base interactions energy: -86.677
where: short stacking energy: -35.470
Base-Backbone interact. energy: 0.131
local terms energy: -46.259199
where:
bonds (distance) C4'-P energy: -10.351
bonds (distance) P-C4' energy: -11.661
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -7.203
tors. eta vs tors. theta energy: -4.702
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: 3
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -72.327715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.327715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.327715 (E_RNA)
where:
Base-Base interactions energy: -20.481
where: short stacking energy: -17.308
Base-Backbone interact. energy: -0.002
local terms energy: -51.844309
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -10.436
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -4.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -65.532213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.532213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.532213 (E_RNA)
where:
Base-Base interactions energy: -23.688
where: short stacking energy: -23.688
Base-Backbone interact. energy: -0.094
local terms energy: -41.749372
where:
bonds (distance) C4'-P energy: -9.952
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -6.113
flat angles P-C4'-P energy: -5.873
tors. eta vs tors. theta energy: -6.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -64.041522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.041522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.041522 (E_RNA)
where:
Base-Base interactions energy: -29.095
where: short stacking energy: -16.768
Base-Backbone interact. energy: -0.311
local terms energy: -34.635793
where:
bonds (distance) C4'-P energy: -7.022
bonds (distance) P-C4' energy: -7.874
flat angles C4'-P-C4' energy: -9.484
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -0.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -67.087800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.087800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.087800 (E_RNA)
where:
Base-Base interactions energy: -23.523
where: short stacking energy: -17.517
Base-Backbone interact. energy: -0.106
local terms energy: -43.458437
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -11.123
flat angles C4'-P-C4' energy: -10.145
flat angles P-C4'-P energy: -6.062
tors. eta vs tors. theta energy: -3.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -57.105673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.105673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.105673 (E_RNA)
where:
Base-Base interactions energy: -16.842
where: short stacking energy: -16.842
Base-Backbone interact. energy: -0.077
local terms energy: -40.186475
where:
bonds (distance) C4'-P energy: -13.558
bonds (distance) P-C4' energy: -10.690
flat angles C4'-P-C4' energy: -6.107
flat angles P-C4'-P energy: -5.715
tors. eta vs tors. theta energy: -4.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -157.677948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.677948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.677948 (E_RNA)
where:
Base-Base interactions energy: -107.836
where: short stacking energy: -37.582
Base-Backbone interact. energy: -0.093
local terms energy: -49.749491
where:
bonds (distance) C4'-P energy: -8.069
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -12.073
flat angles P-C4'-P energy: -2.691
tors. eta vs tors. theta energy: -13.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -145.011820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.011820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.011820 (E_RNA)
where:
Base-Base interactions energy: -88.213
where: short stacking energy: -42.719
Base-Backbone interact. energy: -0.000
local terms energy: -56.798251
where:
bonds (distance) C4'-P energy: -12.854
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -12.361
flat angles P-C4'-P energy: -6.227
tors. eta vs tors. theta energy: -11.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -131.652056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.652056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.652056 (E_RNA)
where:
Base-Base interactions energy: -80.496
where: short stacking energy: -37.980
Base-Backbone interact. energy: -0.069
local terms energy: -51.087383
where:
bonds (distance) C4'-P energy: -13.070
bonds (distance) P-C4' energy: -10.666
flat angles C4'-P-C4' energy: -8.646
flat angles P-C4'-P energy: -7.053
tors. eta vs tors. theta energy: -11.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -123.528717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.528717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.528717 (E_RNA)
where:
Base-Base interactions energy: -78.818
where: short stacking energy: -36.854
Base-Backbone interact. energy: -0.190
local terms energy: -44.520083
where:
bonds (distance) C4'-P energy: -11.198
bonds (distance) P-C4' energy: -8.538
flat angles C4'-P-C4' energy: -7.604
flat angles P-C4'-P energy: -6.798
tors. eta vs tors. theta energy: -10.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -134.110245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.110245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.110245 (E_RNA)
where:
Base-Base interactions energy: -86.168
where: short stacking energy: -32.277
Base-Backbone interact. energy: -0.013
local terms energy: -47.929248
where:
bonds (distance) C4'-P energy: -8.231
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -8.007
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -9.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -68.194898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.194898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.194898 (E_RNA)
where:
Base-Base interactions energy: -24.702
where: short stacking energy: -23.373
Base-Backbone interact. energy: -0.002
local terms energy: -43.491571
where:
bonds (distance) C4'-P energy: -9.626
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -10.879
flat angles P-C4'-P energy: -5.662
tors. eta vs tors. theta energy: -3.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -68.325969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.325969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.325969 (E_RNA)
where:
Base-Base interactions energy: -25.852
where: short stacking energy: -16.188
Base-Backbone interact. energy: -0.002
local terms energy: -42.471989
where:
bonds (distance) C4'-P energy: -9.673
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -10.544
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: -0.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -72.351016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.351016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.351016 (E_RNA)
where:
Base-Base interactions energy: -31.334
where: short stacking energy: -22.408
Base-Backbone interact. energy: -0.077
local terms energy: -40.939486
where:
bonds (distance) C4'-P energy: -7.349
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -6.830
flat angles P-C4'-P energy: -8.192
tors. eta vs tors. theta energy: -6.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -59.890951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.890951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.890951 (E_RNA)
where:
Base-Base interactions energy: -16.941
where: short stacking energy: -16.941
Base-Backbone interact. energy: -0.087
local terms energy: -42.862796
where:
bonds (distance) C4'-P energy: -10.893
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -10.384
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -1.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -61.466470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.466470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.466470 (E_RNA)
where:
Base-Base interactions energy: -20.790
where: short stacking energy: -20.790
Base-Backbone interact. energy: -0.005
local terms energy: -40.670946
where:
bonds (distance) C4'-P energy: -10.610
bonds (distance) P-C4' energy: -9.548
flat angles C4'-P-C4' energy: -8.969
flat angles P-C4'-P energy: -5.890
tors. eta vs tors. theta energy: -5.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -144.970246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.970246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.970246 (E_RNA)
where:
Base-Base interactions energy: -94.986
where: short stacking energy: -39.715
Base-Backbone interact. energy: -0.006
local terms energy: -49.978576
where:
bonds (distance) C4'-P energy: -9.319
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -7.343
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: 7
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -140.984886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.984886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.984886 (E_RNA)
where:
Base-Base interactions energy: -86.143
where: short stacking energy: -38.084
Base-Backbone interact. energy: -0.276
local terms energy: -54.566155
where:
bonds (distance) C4'-P energy: -10.496
bonds (distance) P-C4' energy: -12.208
flat angles C4'-P-C4' energy: -11.344
flat angles P-C4'-P energy: -5.759
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: 3, replica: 4
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -137.753797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.753797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.753797 (E_RNA)
where:
Base-Base interactions energy: -84.899
where: short stacking energy: -34.437
Base-Backbone interact. energy: -0.129
local terms energy: -52.725897
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -9.064
flat angles P-C4'-P energy: -6.626
tors. eta vs tors. theta energy: -10.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -141.641377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.641377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.641377 (E_RNA)
where:
Base-Base interactions energy: -94.111
where: short stacking energy: -29.735
Base-Backbone interact. energy: -0.003
local terms energy: -47.527404
where:
bonds (distance) C4'-P energy: -10.092
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -9.648
flat angles P-C4'-P energy: -3.200
tors. eta vs tors. theta energy: -11.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -129.175766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.175766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.175766 (E_RNA)
where:
Base-Base interactions energy: -73.740
where: short stacking energy: -27.889
Base-Backbone interact. energy: -0.134
local terms energy: -55.301808
where:
bonds (distance) C4'-P energy: -12.473
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -10.853
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -9.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -72.170537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.170537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.170537 (E_RNA)
where:
Base-Base interactions energy: -23.927
where: short stacking energy: -21.631
Base-Backbone interact. energy: -0.450
local terms energy: -47.793496
where:
bonds (distance) C4'-P energy: -12.395
bonds (distance) P-C4' energy: -10.195
flat angles C4'-P-C4' energy: -10.735
flat angles P-C4'-P energy: -6.482
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: 7, replica: 3
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -61.765976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.765976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.765976 (E_RNA)
where:
Base-Base interactions energy: -25.123
where: short stacking energy: -24.945
Base-Backbone interact. energy: -0.054
local terms energy: -36.589530
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -9.688
flat angles C4'-P-C4' energy: -7.717
flat angles P-C4'-P energy: -3.728
tors. eta vs tors. theta energy: -3.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -61.926482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.926482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.926482 (E_RNA)
where:
Base-Base interactions energy: -21.620
where: short stacking energy: -21.620
Base-Backbone interact. energy: -0.043
local terms energy: -40.264035
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -5.278
flat angles P-C4'-P energy: -4.633
tors. eta vs tors. theta energy: -3.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -64.734850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.734850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.734850 (E_RNA)
where:
Base-Base interactions energy: -28.635
where: short stacking energy: -18.859
Base-Backbone interact. energy: -0.045
local terms energy: -36.054845
where:
bonds (distance) C4'-P energy: -11.442
bonds (distance) P-C4' energy: -10.339
flat angles C4'-P-C4' energy: -9.385
flat angles P-C4'-P energy: -2.345
tors. eta vs tors. theta energy: -2.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -57.478994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.478994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.478994 (E_RNA)
where:
Base-Base interactions energy: -22.072
where: short stacking energy: -21.619
Base-Backbone interact. energy: -0.097
local terms energy: -35.310297
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -10.105
flat angles C4'-P-C4' energy: -4.009
flat angles P-C4'-P energy: -4.856
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: 1, replica: 7
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -153.610479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.610479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.610479 (E_RNA)
where:
Base-Base interactions energy: -95.949
where: short stacking energy: -38.532
Base-Backbone interact. energy: -0.409
local terms energy: -57.251790
where:
bonds (distance) C4'-P energy: -10.078
bonds (distance) P-C4' energy: -11.520
flat angles C4'-P-C4' energy: -11.976
flat angles P-C4'-P energy: -8.037
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: 2, replica: 10
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -141.556466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.556466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.556466 (E_RNA)
where:
Base-Base interactions energy: -91.272
where: short stacking energy: -39.733
Base-Backbone interact. energy: -0.001
local terms energy: -50.283816
where:
bonds (distance) C4'-P energy: -13.086
bonds (distance) P-C4' energy: -10.436
flat angles C4'-P-C4' energy: -8.438
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -9.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -127.011673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.011673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.011673 (E_RNA)
where:
Base-Base interactions energy: -74.377
where: short stacking energy: -31.314
Base-Backbone interact. energy: -0.352
local terms energy: -52.282793
where:
bonds (distance) C4'-P energy: -11.898
bonds (distance) P-C4' energy: -9.979
flat angles C4'-P-C4' energy: -13.028
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: -9.424
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: 4, replica: 4
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -139.436331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.436331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.436331 (E_RNA)
where:
Base-Base interactions energy: -90.037
where: short stacking energy: -32.025
Base-Backbone interact. energy: -0.137
local terms energy: -49.261940
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -10.712
flat angles C4'-P-C4' energy: -12.152
flat angles P-C4'-P energy: -5.015
tors. eta vs tors. theta energy: -9.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -128.558070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.558070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.558070 (E_RNA)
where:
Base-Base interactions energy: -78.380
where: short stacking energy: -28.382
Base-Backbone interact. energy: -0.015
local terms energy: -50.163500
where:
bonds (distance) C4'-P energy: -11.248
bonds (distance) P-C4' energy: -12.038
flat angles C4'-P-C4' energy: -9.078
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -7.396
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: 8
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -82.987206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.987206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.987206 (E_RNA)
where:
Base-Base interactions energy: -38.398
where: short stacking energy: -16.092
Base-Backbone interact. energy: -0.162
local terms energy: -44.427712
where:
bonds (distance) C4'-P energy: -11.480
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -9.153
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -4.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -65.108837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.108837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.108837 (E_RNA)
where:
Base-Base interactions energy: -19.276
where: short stacking energy: -19.276
Base-Backbone interact. energy: 0.201
local terms energy: -46.033583
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -13.153
flat angles C4'-P-C4' energy: -9.428
flat angles P-C4'-P energy: -5.902
tors. eta vs tors. theta energy: -4.883
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: 6
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -69.594722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.594722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.594722 (E_RNA)
where:
Base-Base interactions energy: -23.580
where: short stacking energy: -19.310
Base-Backbone interact. energy: -0.010
local terms energy: -46.004510
where:
bonds (distance) C4'-P energy: -9.704
bonds (distance) P-C4' energy: -14.693
flat angles C4'-P-C4' energy: -10.607
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: -2.669
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: 1
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -55.613583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.613583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.613583 (E_RNA)
where:
Base-Base interactions energy: -13.084
where: short stacking energy: -13.084
Base-Backbone interact. energy: -0.174
local terms energy: -42.356131
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -10.918
flat angles C4'-P-C4' energy: -9.822
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: -2.899
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: 10, replica: 9
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -51.168262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.168262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.168262 (E_RNA)
where:
Base-Base interactions energy: -15.290
where: short stacking energy: -14.131
Base-Backbone interact. energy: -0.249
local terms energy: -35.629134
where:
bonds (distance) C4'-P energy: -11.141
bonds (distance) P-C4' energy: -9.900
flat angles C4'-P-C4' energy: -9.221
flat angles P-C4'-P energy: -6.533
tors. eta vs tors. theta energy: 1.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -154.160498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.160498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.160498 (E_RNA)
where:
Base-Base interactions energy: -100.004
where: short stacking energy: -36.356
Base-Backbone interact. energy: -0.002
local terms energy: -54.154427
where:
bonds (distance) C4'-P energy: -10.536
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -5.469
tors. eta vs tors. theta energy: -12.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -139.280736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.280736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.280736 (E_RNA)
where:
Base-Base interactions energy: -87.489
where: short stacking energy: -34.936
Base-Backbone interact. energy: -0.106
local terms energy: -51.686091
where:
bonds (distance) C4'-P energy: -10.458
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -10.958
flat angles P-C4'-P energy: -6.642
tors. eta vs tors. theta energy: -10.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -129.187416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.187416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.187416 (E_RNA)
where:
Base-Base interactions energy: -76.743
where: short stacking energy: -28.470
Base-Backbone interact. energy: -0.244
local terms energy: -52.200478
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -12.261
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -6.931
tors. eta vs tors. theta energy: -6.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -147.303494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.303494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.303494 (E_RNA)
where:
Base-Base interactions energy: -95.109
where: short stacking energy: -43.375
Base-Backbone interact. energy: -0.112
local terms energy: -52.082473
where:
bonds (distance) C4'-P energy: -8.297
bonds (distance) P-C4' energy: -11.775
flat angles C4'-P-C4' energy: -11.109
flat angles P-C4'-P energy: -7.699
tors. eta vs tors. theta energy: -13.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -132.993441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.993441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.993441 (E_RNA)
where:
Base-Base interactions energy: -88.112
where: short stacking energy: -31.893
Base-Backbone interact. energy: 0.515
local terms energy: -45.396502
where:
bonds (distance) C4'-P energy: -7.647
bonds (distance) P-C4' energy: -11.514
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -6.277
tors. eta vs tors. theta energy: -7.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -96.269159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.269159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.269159 (E_RNA)
where:
Base-Base interactions energy: -58.477
where: short stacking energy: -14.303
Base-Backbone interact. energy: 0.112
local terms energy: -37.904953
where:
bonds (distance) C4'-P energy: -9.907
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -3.326
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -2.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -71.207331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.207331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.207331 (E_RNA)
where:
Base-Base interactions energy: -25.159
where: short stacking energy: -25.159
Base-Backbone interact. energy: -0.001
local terms energy: -46.047393
where:
bonds (distance) C4'-P energy: -8.793
bonds (distance) P-C4' energy: -9.734
flat angles C4'-P-C4' energy: -11.598
flat angles P-C4'-P energy: -5.579
tors. eta vs tors. theta energy: -10.343
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: 8, replica: 1
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -65.983201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.983201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.983201 (E_RNA)
where:
Base-Base interactions energy: -28.826
where: short stacking energy: -15.412
Base-Backbone interact. energy: -0.166
local terms energy: -36.991156
where:
bonds (distance) C4'-P energy: -8.884
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -8.339
flat angles P-C4'-P energy: -6.707
tors. eta vs tors. theta energy: -0.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -59.963369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.963369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.963369 (E_RNA)
where:
Base-Base interactions energy: -22.919
where: short stacking energy: -20.702
Base-Backbone interact. energy: -0.024
local terms energy: -37.020605
where:
bonds (distance) C4'-P energy: -9.068
bonds (distance) P-C4' energy: -10.676
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: 1.158
tors. eta vs tors. theta energy: -6.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -62.563004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.563004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.563004 (E_RNA)
where:
Base-Base interactions energy: -30.945
where: short stacking energy: -20.851
Base-Backbone interact. energy: -0.039
local terms energy: -31.578689
where:
bonds (distance) C4'-P energy: -4.194
bonds (distance) P-C4' energy: -12.556
flat angles C4'-P-C4' energy: -9.198
flat angles P-C4'-P energy: -3.912
tors. eta vs tors. theta energy: -1.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -152.318460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.318460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.318460 (E_RNA)
where:
Base-Base interactions energy: -98.545
where: short stacking energy: -39.640
Base-Backbone interact. energy: -0.012
local terms energy: -53.761396
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -10.637
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -8.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -141.297342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.297342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.297342 (E_RNA)
where:
Base-Base interactions energy: -91.212
where: short stacking energy: -25.729
Base-Backbone interact. energy: -0.035
local terms energy: -50.051079
where:
bonds (distance) C4'-P energy: -10.974
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -10.360
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -9.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -152.036223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.036223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.036223 (E_RNA)
where:
Base-Base interactions energy: -104.353
where: short stacking energy: -36.835
Base-Backbone interact. energy: -0.101
local terms energy: -47.582670
where:
bonds (distance) C4'-P energy: -11.442
bonds (distance) P-C4' energy: -8.840
flat angles C4'-P-C4' energy: -8.730
flat angles P-C4'-P energy: -7.635
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: 4, replica: 10
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -134.683743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.683743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.683743 (E_RNA)
where:
Base-Base interactions energy: -90.744
where: short stacking energy: -32.322
Base-Backbone interact. energy: -0.228
local terms energy: -43.712393
where:
bonds (distance) C4'-P energy: -9.717
bonds (distance) P-C4' energy: -9.760
flat angles C4'-P-C4' energy: -11.281
flat angles P-C4'-P energy: -3.049
tors. eta vs tors. theta energy: -9.906
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: 430
Temperature: 1.100000
Total energy: -130.145448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.145448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.145448 (E_RNA)
where:
Base-Base interactions energy: -84.288
where: short stacking energy: -28.405
Base-Backbone interact. energy: -0.333
local terms energy: -45.524356
where:
bonds (distance) C4'-P energy: -9.667
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -5.051
tors. eta vs tors. theta energy: -5.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -72.769618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.769618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.769618 (E_RNA)
where:
Base-Base interactions energy: -31.410
where: short stacking energy: -19.009
Base-Backbone interact. energy: -0.241
local terms energy: -41.118832
where:
bonds (distance) C4'-P energy: -11.004
bonds (distance) P-C4' energy: -11.373
flat angles C4'-P-C4' energy: -10.738
flat angles P-C4'-P energy: -6.369
tors. eta vs tors. theta energy: -1.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -69.159726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.159726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.159726 (E_RNA)
where:
Base-Base interactions energy: -34.190
where: short stacking energy: -14.511
Base-Backbone interact. energy: -0.070
local terms energy: -34.900482
where:
bonds (distance) C4'-P energy: -12.383
bonds (distance) P-C4' energy: -10.454
flat angles C4'-P-C4' energy: -5.058
flat angles P-C4'-P energy: -5.290
tors. eta vs tors. theta energy: -1.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -65.181246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.181246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.181246 (E_RNA)
where:
Base-Base interactions energy: -21.349
where: short stacking energy: -21.349
Base-Backbone interact. energy: -0.092
local terms energy: -43.740170
where:
bonds (distance) C4'-P energy: -10.241
bonds (distance) P-C4' energy: -8.979
flat angles C4'-P-C4' energy: -9.161
flat angles P-C4'-P energy: -7.535
tors. eta vs tors. theta energy: -7.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -68.600133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.600133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.600133 (E_RNA)
where:
Base-Base interactions energy: -26.530
where: short stacking energy: -16.296
Base-Backbone interact. energy: -0.010
local terms energy: -42.059933
where:
bonds (distance) C4'-P energy: -10.515
bonds (distance) P-C4' energy: -9.862
flat angles C4'-P-C4' energy: -12.330
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -1.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -54.571197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.571197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.571197 (E_RNA)
where:
Base-Base interactions energy: -16.232
where: short stacking energy: -12.398
Base-Backbone interact. energy: -0.113
local terms energy: -38.225860
where:
bonds (distance) C4'-P energy: -10.581
bonds (distance) P-C4' energy: -12.284
flat angles C4'-P-C4' energy: -10.770
flat angles P-C4'-P energy: -6.238
tors. eta vs tors. theta energy: 1.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -144.624507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.624507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.624507 (E_RNA)
where:
Base-Base interactions energy: -89.895
where: short stacking energy: -38.194
Base-Backbone interact. energy: -0.082
local terms energy: -54.647815
where:
bonds (distance) C4'-P energy: -11.406
bonds (distance) P-C4' energy: -13.350
flat angles C4'-P-C4' energy: -12.681
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -7.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -155.937151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.937151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.937151 (E_RNA)
where:
Base-Base interactions energy: -105.976
where: short stacking energy: -34.748
Base-Backbone interact. energy: -0.029
local terms energy: -49.932238
where:
bonds (distance) C4'-P energy: -9.997
bonds (distance) P-C4' energy: -10.722
flat angles C4'-P-C4' energy: -10.680
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -10.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -140.833426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.833426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.833426 (E_RNA)
where:
Base-Base interactions energy: -91.481
where: short stacking energy: -36.516
Base-Backbone interact. energy: -0.154
local terms energy: -49.198590
where:
bonds (distance) C4'-P energy: -10.210
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -7.553
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -10.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -133.725568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.725568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.725568 (E_RNA)
where:
Base-Base interactions energy: -75.756
where: short stacking energy: -31.546
Base-Backbone interact. energy: -0.004
local terms energy: -57.966267
where:
bonds (distance) C4'-P energy: -11.960
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -10.517
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -12.378
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: 4
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -123.465137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.465137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.465137 (E_RNA)
where:
Base-Base interactions energy: -71.644
where: short stacking energy: -30.670
Base-Backbone interact. energy: -0.047
local terms energy: -51.774666
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -10.629
flat angles C4'-P-C4' energy: -7.969
flat angles P-C4'-P energy: -7.562
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: 8
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -103.257849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.257849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.257849 (E_RNA)
where:
Base-Base interactions energy: -63.716
where: short stacking energy: -25.053
Base-Backbone interact. energy: -0.033
local terms energy: -39.508734
where:
bonds (distance) C4'-P energy: -9.943
bonds (distance) P-C4' energy: -10.187
flat angles C4'-P-C4' energy: -4.664
flat angles P-C4'-P energy: -7.261
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: 7, replica: 1
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -61.184274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.184274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.184274 (E_RNA)
where:
Base-Base interactions energy: -22.968
where: short stacking energy: -18.762
Base-Backbone interact. energy: -0.151
local terms energy: -38.064987
where:
bonds (distance) C4'-P energy: -9.253
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -7.004
flat angles P-C4'-P energy: -6.267
tors. eta vs tors. theta energy: -3.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -60.659797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.659797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.659797 (E_RNA)
where:
Base-Base interactions energy: -19.253
where: short stacking energy: -11.217
Base-Backbone interact. energy: -0.100
local terms energy: -41.306326
where:
bonds (distance) C4'-P energy: -9.964
bonds (distance) P-C4' energy: -10.921
flat angles C4'-P-C4' energy: -11.750
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -0.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -63.645997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.645997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.645997 (E_RNA)
where:
Base-Base interactions energy: -19.767
where: short stacking energy: -16.474
Base-Backbone interact. energy: -0.238
local terms energy: -43.640680
where:
bonds (distance) C4'-P energy: -8.143
bonds (distance) P-C4' energy: -10.703
flat angles C4'-P-C4' energy: -9.921
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -5.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -57.380450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.380450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.380450 (E_RNA)
where:
Base-Base interactions energy: -19.623
where: short stacking energy: -19.623
Base-Backbone interact. energy: -0.304
local terms energy: -37.453555
where:
bonds (distance) C4'-P energy: -8.366
bonds (distance) P-C4' energy: -12.299
flat angles C4'-P-C4' energy: -3.595
flat angles P-C4'-P energy: -9.537
tors. eta vs tors. theta energy: -3.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -148.092114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.092114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.092114 (E_RNA)
where:
Base-Base interactions energy: -89.633
where: short stacking energy: -37.232
Base-Backbone interact. energy: -0.055
local terms energy: -58.404493
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -12.019
flat angles C4'-P-C4' energy: -11.878
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -12.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -150.927280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.927280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.927280 (E_RNA)
where:
Base-Base interactions energy: -97.235
where: short stacking energy: -37.290
Base-Backbone interact. energy: -0.066
local terms energy: -53.626008
where:
bonds (distance) C4'-P energy: -10.922
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -11.049
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -10.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -140.879853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.879853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.879853 (E_RNA)
where:
Base-Base interactions energy: -85.421
where: short stacking energy: -44.073
Base-Backbone interact. energy: -1.057
local terms energy: -54.401733
where:
bonds (distance) C4'-P energy: -10.284
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -10.867
flat angles P-C4'-P energy: -7.198
tors. eta vs tors. theta energy: -11.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -132.671469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.671469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.671469 (E_RNA)
where:
Base-Base interactions energy: -85.788
where: short stacking energy: -26.575
Base-Backbone interact. energy: -0.433
local terms energy: -46.449978
where:
bonds (distance) C4'-P energy: -10.954
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -10.270
flat angles P-C4'-P energy: -5.942
tors. eta vs tors. theta energy: -6.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -122.542123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.542123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.542123 (E_RNA)
where:
Base-Base interactions energy: -69.160
where: short stacking energy: -30.474
Base-Backbone interact. energy: -0.004
local terms energy: -53.378738
where:
bonds (distance) C4'-P energy: -7.936
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -10.470
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: 8
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -117.124716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.124716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.124716 (E_RNA)
where:
Base-Base interactions energy: -67.462
where: short stacking energy: -34.807
Base-Backbone interact. energy: -0.001
local terms energy: -49.661849
where:
bonds (distance) C4'-P energy: -6.782
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -11.529
flat angles P-C4'-P energy: -5.944
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: 7, replica: 6
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -65.166840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.166840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.166840 (E_RNA)
where:
Base-Base interactions energy: -16.393
where: short stacking energy: -16.393
Base-Backbone interact. energy: -0.058
local terms energy: -48.715563
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -12.699
flat angles C4'-P-C4' energy: -10.423
flat angles P-C4'-P energy: -11.020
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: 8, replica: 1
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -61.649458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.649458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.649458 (E_RNA)
where:
Base-Base interactions energy: -21.886
where: short stacking energy: -17.699
Base-Backbone interact. energy: 1.481
local terms energy: -41.243927
where:
bonds (distance) C4'-P energy: -10.023
bonds (distance) P-C4' energy: -9.366
flat angles C4'-P-C4' energy: -11.456
flat angles P-C4'-P energy: -4.945
tors. eta vs tors. theta energy: -5.454
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: 9, replica: 9
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -68.072387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.072387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.072387 (E_RNA)
where:
Base-Base interactions energy: -29.300
where: short stacking energy: -14.354
Base-Backbone interact. energy: -0.911
local terms energy: -37.860985
where:
bonds (distance) C4'-P energy: -8.256
bonds (distance) P-C4' energy: -12.384
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -5.157
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: 10, replica: 3
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -57.075623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.075623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.075623 (E_RNA)
where:
Base-Base interactions energy: -17.999
where: short stacking energy: -17.999
Base-Backbone interact. energy: -0.152
local terms energy: -38.924885
where:
bonds (distance) C4'-P energy: -8.805
bonds (distance) P-C4' energy: -9.847
flat angles C4'-P-C4' energy: -10.167
flat angles P-C4'-P energy: -7.001
tors. eta vs tors. theta energy: -3.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -148.078530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.078530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.078530 (E_RNA)
where:
Base-Base interactions energy: -88.102
where: short stacking energy: -38.764
Base-Backbone interact. energy: -0.634
local terms energy: -59.341933
where:
bonds (distance) C4'-P energy: -11.787
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: -14.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -143.246029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.246029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.246029 (E_RNA)
where:
Base-Base interactions energy: -91.872
where: short stacking energy: -40.483
Base-Backbone interact. energy: -0.159
local terms energy: -51.214872
where:
bonds (distance) C4'-P energy: -10.868
bonds (distance) P-C4' energy: -11.152
flat angles C4'-P-C4' energy: -9.948
flat angles P-C4'-P energy: -7.303
tors. eta vs tors. theta energy: -11.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -153.617032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.617032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.617032 (E_RNA)
where:
Base-Base interactions energy: -106.040
where: short stacking energy: -42.805
Base-Backbone interact. energy: -0.110
local terms energy: -47.467196
where:
bonds (distance) C4'-P energy: -9.151
bonds (distance) P-C4' energy: -10.589
flat angles C4'-P-C4' energy: -11.405
flat angles P-C4'-P energy: -7.519
tors. eta vs tors. theta energy: -8.802
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: 4
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -138.745475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.745475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.745475 (E_RNA)
where:
Base-Base interactions energy: -92.628
where: short stacking energy: -35.173
Base-Backbone interact. energy: -0.682
local terms energy: -45.435488
where:
bonds (distance) C4'-P energy: -11.335
bonds (distance) P-C4' energy: -7.682
flat angles C4'-P-C4' energy: -10.818
flat angles P-C4'-P energy: -4.568
tors. eta vs tors. theta energy: -11.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -115.073553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.073553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.073553 (E_RNA)
where:
Base-Base interactions energy: -59.974
where: short stacking energy: -25.184
Base-Backbone interact. energy: -2.060
local terms energy: -53.039348
where:
bonds (distance) C4'-P energy: -10.164
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -12.373
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: -8.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -83.113396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.113396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.113396 (E_RNA)
where:
Base-Base interactions energy: -39.103
where: short stacking energy: -22.444
Base-Backbone interact. energy: -0.037
local terms energy: -43.973183
where:
bonds (distance) C4'-P energy: -11.017
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -9.272
flat angles P-C4'-P energy: -2.478
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: 7, replica: 8
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -74.490360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.490360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.490360 (E_RNA)
where:
Base-Base interactions energy: -26.460
where: short stacking energy: -24.197
Base-Backbone interact. energy: -0.742
local terms energy: -47.288234
where:
bonds (distance) C4'-P energy: -12.055
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -10.135
flat angles P-C4'-P energy: -6.359
tors. eta vs tors. theta energy: -6.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -61.214619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.214619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.214619 (E_RNA)
where:
Base-Base interactions energy: -18.685
where: short stacking energy: -18.685
Base-Backbone interact. energy: -0.163
local terms energy: -42.365757
where:
bonds (distance) C4'-P energy: -11.142
bonds (distance) P-C4' energy: -8.347
flat angles C4'-P-C4' energy: -11.598
flat angles P-C4'-P energy: -8.725
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: 9, replica: 1
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -58.764388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.764388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.764388 (E_RNA)
where:
Base-Base interactions energy: -17.584
where: short stacking energy: -14.128
Base-Backbone interact. energy: 0.195
local terms energy: -41.374630
where:
bonds (distance) C4'-P energy: -11.045
bonds (distance) P-C4' energy: -10.681
flat angles C4'-P-C4' energy: -11.547
flat angles P-C4'-P energy: -8.752
tors. eta vs tors. theta energy: 0.650
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: 3
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -55.997463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.997463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.997463 (E_RNA)
where:
Base-Base interactions energy: -19.659
where: short stacking energy: -10.437
Base-Backbone interact. energy: 1.090
local terms energy: -37.428701
where:
bonds (distance) C4'-P energy: -9.981
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -6.178
flat angles P-C4'-P energy: -8.337
tors. eta vs tors. theta energy: -0.115
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: 1, replica: 10
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -144.896001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.896001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.896001 (E_RNA)
where:
Base-Base interactions energy: -94.688
where: short stacking energy: -32.564
Base-Backbone interact. energy: -0.043
local terms energy: -50.165339
where:
bonds (distance) C4'-P energy: -10.661
bonds (distance) P-C4' energy: -12.488
flat angles C4'-P-C4' energy: -7.245
flat angles P-C4'-P energy: -7.460
tors. eta vs tors. theta energy: -12.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -152.743857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.743857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.743857 (E_RNA)
where:
Base-Base interactions energy: -92.116
where: short stacking energy: -45.407
Base-Backbone interact. energy: -0.087
local terms energy: -60.540473
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -10.440
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -15.263
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: 4
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -139.456292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.456292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.456292 (E_RNA)
where:
Base-Base interactions energy: -89.776
where: short stacking energy: -26.257
Base-Backbone interact. energy: -0.068
local terms energy: -49.612108
where:
bonds (distance) C4'-P energy: -11.576
bonds (distance) P-C4' energy: -11.410
flat angles C4'-P-C4' energy: -10.994
flat angles P-C4'-P energy: -4.458
tors. eta vs tors. theta energy: -11.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -155.678152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.678152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.678152 (E_RNA)
where:
Base-Base interactions energy: -103.693
where: short stacking energy: -33.400
Base-Backbone interact. energy: -0.035
local terms energy: -51.950541
where:
bonds (distance) C4'-P energy: -13.165
bonds (distance) P-C4' energy: -8.911
flat angles C4'-P-C4' energy: -11.007
flat angles P-C4'-P energy: -7.036
tors. eta vs tors. theta energy: -11.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -117.323808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.323808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.323808 (E_RNA)
where:
Base-Base interactions energy: -81.658
where: short stacking energy: -30.437
Base-Backbone interact. energy: -0.012
local terms energy: -35.653870
where:
bonds (distance) C4'-P energy: -3.556
bonds (distance) P-C4' energy: -6.958
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -5.767
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: 6, replica: 6
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -80.601405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.601405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.601405 (E_RNA)
where:
Base-Base interactions energy: -45.133
where: short stacking energy: -24.168
Base-Backbone interact. energy: -0.022
local terms energy: -35.446934
where:
bonds (distance) C4'-P energy: -10.478
bonds (distance) P-C4' energy: -9.682
flat angles C4'-P-C4' energy: -8.969
flat angles P-C4'-P energy: -4.236
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: 7, replica: 9
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -70.660532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.660532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.660532 (E_RNA)
where:
Base-Base interactions energy: -38.280
where: short stacking energy: -23.652
Base-Backbone interact. energy: 2.327
local terms energy: -34.707994
where:
bonds (distance) C4'-P energy: -12.192
bonds (distance) P-C4' energy: -7.732
flat angles C4'-P-C4' energy: -6.339
flat angles P-C4'-P energy: -6.345
tors. eta vs tors. theta energy: -2.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -70.290705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.290705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.290705 (E_RNA)
where:
Base-Base interactions energy: -32.062
where: short stacking energy: -23.055
Base-Backbone interact. energy: -0.059
local terms energy: -38.168931
where:
bonds (distance) C4'-P energy: -10.384
bonds (distance) P-C4' energy: -11.731
flat angles C4'-P-C4' energy: -9.460
flat angles P-C4'-P energy: -5.605
tors. eta vs tors. theta energy: -0.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -58.191035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.191035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.191035 (E_RNA)
where:
Base-Base interactions energy: -23.878
where: short stacking energy: -16.678
Base-Backbone interact. energy: 0.421
local terms energy: -34.733968
where:
bonds (distance) C4'-P energy: -6.671
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -3.029
tors. eta vs tors. theta energy: -1.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -53.593426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.593426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.593426 (E_RNA)
where:
Base-Base interactions energy: -20.725
where: short stacking energy: -13.915
Base-Backbone interact. energy: -0.211
local terms energy: -32.656972
where:
bonds (distance) C4'-P energy: -5.381
bonds (distance) P-C4' energy: -10.321
flat angles C4'-P-C4' energy: -7.540
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -1.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -147.259088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.259088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.259088 (E_RNA)
where:
Base-Base interactions energy: -94.407
where: short stacking energy: -35.169
Base-Backbone interact. energy: -0.006
local terms energy: -52.846999
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -9.502
flat angles P-C4'-P energy: -7.566
tors. eta vs tors. theta energy: -11.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -145.501752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.501752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.501752 (E_RNA)
where:
Base-Base interactions energy: -97.910
where: short stacking energy: -39.763
Base-Backbone interact. energy: -0.258
local terms energy: -47.333639
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -8.869
flat angles C4'-P-C4' energy: -11.622
flat angles P-C4'-P energy: -7.481
tors. eta vs tors. theta energy: -7.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -150.827220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.827220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.827220 (E_RNA)
where:
Base-Base interactions energy: -98.108
where: short stacking energy: -39.304
Base-Backbone interact. energy: -1.042
local terms energy: -51.677579
where:
bonds (distance) C4'-P energy: -11.000
bonds (distance) P-C4' energy: -9.616
flat angles C4'-P-C4' energy: -11.159
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -12.305
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: 7
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -142.977759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.977759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.977759 (E_RNA)
where:
Base-Base interactions energy: -86.127
where: short stacking energy: -38.382
Base-Backbone interact. energy: -0.072
local terms energy: -56.778737
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -5.793
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: 5, replica: 5
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -126.830174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.830174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.830174 (E_RNA)
where:
Base-Base interactions energy: -85.059
where: short stacking energy: -27.648
Base-Backbone interact. energy: 0.732
local terms energy: -42.503618
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -10.932
flat angles C4'-P-C4' energy: -8.777
flat angles P-C4'-P energy: -6.144
tors. eta vs tors. theta energy: -4.839
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: 9
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -81.845439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.845439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.845439 (E_RNA)
where:
Base-Base interactions energy: -34.449
where: short stacking energy: -21.327
Base-Backbone interact. energy: -0.028
local terms energy: -47.368826
where:
bonds (distance) C4'-P energy: -10.031
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -11.071
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -6.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -59.424925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.424925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.424925 (E_RNA)
where:
Base-Base interactions energy: -16.213
where: short stacking energy: -13.451
Base-Backbone interact. energy: -0.321
local terms energy: -42.891622
where:
bonds (distance) C4'-P energy: -11.550
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -10.903
flat angles P-C4'-P energy: -5.969
tors. eta vs tors. theta energy: -1.426
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: 3
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -73.002376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.002376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.002376 (E_RNA)
where:
Base-Base interactions energy: -42.027
where: short stacking energy: -19.107
Base-Backbone interact. energy: -0.180
local terms energy: -30.794713
where:
bonds (distance) C4'-P energy: -7.509
bonds (distance) P-C4' energy: -12.963
flat angles C4'-P-C4' energy: -6.869
flat angles P-C4'-P energy: -2.148
tors. eta vs tors. theta energy: -1.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -63.811589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.811589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.811589 (E_RNA)
where:
Base-Base interactions energy: -27.935
where: short stacking energy: -18.042
Base-Backbone interact. energy: -0.844
local terms energy: -35.031875
where:
bonds (distance) C4'-P energy: -10.689
bonds (distance) P-C4' energy: -10.815
flat angles C4'-P-C4' energy: -8.499
flat angles P-C4'-P energy: -3.473
tors. eta vs tors. theta energy: -1.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -61.638135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.638135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.638135 (E_RNA)
where:
Base-Base interactions energy: -19.132
where: short stacking energy: -17.589
Base-Backbone interact. energy: -0.111
local terms energy: -42.395037
where:
bonds (distance) C4'-P energy: -10.146
bonds (distance) P-C4' energy: -6.059
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -5.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -155.159110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.159110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.159110 (E_RNA)
where:
Base-Base interactions energy: -97.482
where: short stacking energy: -38.805
Base-Backbone interact. energy: 0.260
local terms energy: -57.936457
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -10.797
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -12.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -145.636123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.636123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.636123 (E_RNA)
where:
Base-Base interactions energy: -99.772
where: short stacking energy: -29.573
Base-Backbone interact. energy: -0.108
local terms energy: -45.756411
where:
bonds (distance) C4'-P energy: -11.123
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -9.244
flat angles P-C4'-P energy: -7.163
tors. eta vs tors. theta energy: -7.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -150.313839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.313839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.313839 (E_RNA)
where:
Base-Base interactions energy: -100.511
where: short stacking energy: -42.462
Base-Backbone interact. energy: -0.057
local terms energy: -49.745140
where:
bonds (distance) C4'-P energy: -10.051
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -1.670
tors. eta vs tors. theta energy: -11.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -137.952630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.952630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.952630 (E_RNA)
where:
Base-Base interactions energy: -89.856
where: short stacking energy: -34.997
Base-Backbone interact. energy: -0.026
local terms energy: -48.070689
where:
bonds (distance) C4'-P energy: -12.234
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -10.094
flat angles P-C4'-P energy: -1.703
tors. eta vs tors. theta energy: -10.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -133.691193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.691193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.691193 (E_RNA)
where:
Base-Base interactions energy: -88.403
where: short stacking energy: -31.899
Base-Backbone interact. energy: -0.106
local terms energy: -45.182054
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -7.936
flat angles C4'-P-C4' energy: -7.590
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -7.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -68.752912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.752912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.752912 (E_RNA)
where:
Base-Base interactions energy: -30.615
where: short stacking energy: -19.032
Base-Backbone interact. energy: 0.482
local terms energy: -38.620791
where:
bonds (distance) C4'-P energy: -11.344
bonds (distance) P-C4' energy: -6.914
flat angles C4'-P-C4' energy: -9.905
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -1.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -58.054452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.054452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.054452 (E_RNA)
where:
Base-Base interactions energy: -22.446
where: short stacking energy: -22.446
Base-Backbone interact. energy: -0.013
local terms energy: -35.596152
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -8.515
flat angles C4'-P-C4' energy: -9.078
flat angles P-C4'-P energy: -2.152
tors. eta vs tors. theta energy: -3.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -71.446960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.446960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.446960 (E_RNA)
where:
Base-Base interactions energy: -29.154
where: short stacking energy: -12.770
Base-Backbone interact. energy: -0.132
local terms energy: -42.160947
where:
bonds (distance) C4'-P energy: -9.103
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -9.725
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -3.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -58.611046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.611046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.611046 (E_RNA)
where:
Base-Base interactions energy: -14.631
where: short stacking energy: -14.631
Base-Backbone interact. energy: -0.231
local terms energy: -43.748912
where:
bonds (distance) C4'-P energy: -9.746
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -8.527
flat angles P-C4'-P energy: -8.872
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: 10, replica: 8
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -63.186156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.186156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.186156 (E_RNA)
where:
Base-Base interactions energy: -27.674
where: short stacking energy: -4.415
Base-Backbone interact. energy: -0.199
local terms energy: -35.313075
where:
bonds (distance) C4'-P energy: -9.860
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -8.466
flat angles P-C4'-P energy: -4.780
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: 437
Temperature: 0.900000
Total energy: -156.921384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.921384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.921384 (E_RNA)
where:
Base-Base interactions energy: -108.734
where: short stacking energy: -33.365
Base-Backbone interact. energy: -0.089
local terms energy: -48.098449
where:
bonds (distance) C4'-P energy: -8.797
bonds (distance) P-C4' energy: -9.910
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -5.314
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: 2, replica: 4
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -139.492820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.492820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.492820 (E_RNA)
where:
Base-Base interactions energy: -91.045
where: short stacking energy: -39.486
Base-Backbone interact. energy: -0.003
local terms energy: -48.444521
where:
bonds (distance) C4'-P energy: -10.839
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -11.150
flat angles P-C4'-P energy: -5.667
tors. eta vs tors. theta energy: -9.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -138.769371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.769371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.769371 (E_RNA)
where:
Base-Base interactions energy: -88.459
where: short stacking energy: -30.926
Base-Backbone interact. energy: -0.016
local terms energy: -50.294592
where:
bonds (distance) C4'-P energy: -11.989
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -12.864
flat angles P-C4'-P energy: -7.691
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: 4, replica: 5
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -135.116841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.116841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.116841 (E_RNA)
where:
Base-Base interactions energy: -86.689
where: short stacking energy: -35.150
Base-Backbone interact. energy: 0.530
local terms energy: -48.958189
where:
bonds (distance) C4'-P energy: -9.136
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -10.677
flat angles P-C4'-P energy: -7.243
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: 5, replica: 7
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -127.437407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.437407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.437407 (E_RNA)
where:
Base-Base interactions energy: -73.657
where: short stacking energy: -33.226
Base-Backbone interact. energy: -0.496
local terms energy: -53.284328
where:
bonds (distance) C4'-P energy: -10.879
bonds (distance) P-C4' energy: -11.866
flat angles C4'-P-C4' energy: -10.096
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: -12.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -65.109985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.109985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.109985 (E_RNA)
where:
Base-Base interactions energy: -27.642
where: short stacking energy: -11.700
Base-Backbone interact. energy: -0.886
local terms energy: -36.582035
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -9.355
flat angles C4'-P-C4' energy: -8.119
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: 0.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -65.365311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.365311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.365311 (E_RNA)
where:
Base-Base interactions energy: -22.299
where: short stacking energy: -22.299
Base-Backbone interact. energy: -0.255
local terms energy: -42.811355
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -10.896
flat angles P-C4'-P energy: -6.532
tors. eta vs tors. theta energy: -1.386
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: 8, replica: 1
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -59.787389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.787389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.787389 (E_RNA)
where:
Base-Base interactions energy: -23.076
where: short stacking energy: -22.323
Base-Backbone interact. energy: -0.001
local terms energy: -36.710834
where:
bonds (distance) C4'-P energy: -8.077
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -5.932
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: -1.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -67.895523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.895523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.895523 (E_RNA)
where:
Base-Base interactions energy: -24.604
where: short stacking energy: -23.640
Base-Backbone interact. energy: -0.094
local terms energy: -43.197424
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -8.215
flat angles P-C4'-P energy: -3.961
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: 8
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -55.658417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.658417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.658417 (E_RNA)
where:
Base-Base interactions energy: -16.808
where: short stacking energy: -16.808
Base-Backbone interact. energy: -0.114
local terms energy: -38.737323
where:
bonds (distance) C4'-P energy: -9.519
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -4.855
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: 1, replica: 10
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -159.651723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.651723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.651723 (E_RNA)
where:
Base-Base interactions energy: -103.064
where: short stacking energy: -39.213
Base-Backbone interact. energy: -0.017
local terms energy: -56.570383
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -5.648
tors. eta vs tors. theta energy: -12.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -144.005637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.005637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.005637 (E_RNA)
where:
Base-Base interactions energy: -90.870
where: short stacking energy: -31.684
Base-Backbone interact. energy: -0.320
local terms energy: -52.815711
where:
bonds (distance) C4'-P energy: -12.482
bonds (distance) P-C4' energy: -11.612
flat angles C4'-P-C4' energy: -11.140
flat angles P-C4'-P energy: -6.122
tors. eta vs tors. theta energy: -11.460
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: 3, replica: 2
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -144.188712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.188712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.188712 (E_RNA)
where:
Base-Base interactions energy: -94.620
where: short stacking energy: -34.655
Base-Backbone interact. energy: -0.200
local terms energy: -49.368778
where:
bonds (distance) C4'-P energy: -12.052
bonds (distance) P-C4' energy: -9.734
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -7.349
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: 4, replica: 5
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -134.643220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.643220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.643220 (E_RNA)
where:
Base-Base interactions energy: -86.121
where: short stacking energy: -31.099
Base-Backbone interact. energy: -0.041
local terms energy: -48.481890
where:
bonds (distance) C4'-P energy: -5.953
bonds (distance) P-C4' energy: -11.730
flat angles C4'-P-C4' energy: -10.056
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -11.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -121.980423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.980423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.980423 (E_RNA)
where:
Base-Base interactions energy: -73.857
where: short stacking energy: -31.305
Base-Backbone interact. energy: 0.152
local terms energy: -48.275455
where:
bonds (distance) C4'-P energy: -11.327
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -9.876
flat angles P-C4'-P energy: -4.711
tors. eta vs tors. theta energy: -10.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -68.733650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.733650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.733650 (E_RNA)
where:
Base-Base interactions energy: -38.141
where: short stacking energy: -14.658
Base-Backbone interact. energy: -0.265
local terms energy: -30.328057
where:
bonds (distance) C4'-P energy: -6.232
bonds (distance) P-C4' energy: -9.583
flat angles C4'-P-C4' energy: -11.331
flat angles P-C4'-P energy: -5.757
tors. eta vs tors. theta energy: 2.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -66.168958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.168958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.168958 (E_RNA)
where:
Base-Base interactions energy: -26.230
where: short stacking energy: -16.835
Base-Backbone interact. energy: 0.072
local terms energy: -40.010949
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -10.893
flat angles C4'-P-C4' energy: -9.519
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: 0.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -74.388529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.388529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.388529 (E_RNA)
where:
Base-Base interactions energy: -35.068
where: short stacking energy: -12.234
Base-Backbone interact. energy: -0.282
local terms energy: -39.039036
where:
bonds (distance) C4'-P energy: -13.397
bonds (distance) P-C4' energy: -9.970
flat angles C4'-P-C4' energy: -6.080
flat angles P-C4'-P energy: -6.351
tors. eta vs tors. theta energy: -3.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -56.540352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.540352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.540352 (E_RNA)
where:
Base-Base interactions energy: -21.266
where: short stacking energy: -6.257
Base-Backbone interact. energy: -0.112
local terms energy: -35.162915
where:
bonds (distance) C4'-P energy: -12.209
bonds (distance) P-C4' energy: -11.246
flat angles C4'-P-C4' energy: -5.205
flat angles P-C4'-P energy: -7.831
tors. eta vs tors. theta energy: 1.328
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: 10, replica: 3
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -59.608699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.608699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.608699 (E_RNA)
where:
Base-Base interactions energy: -21.903
where: short stacking energy: -16.919
Base-Backbone interact. energy: -0.118
local terms energy: -37.587632
where:
bonds (distance) C4'-P energy: -10.350
bonds (distance) P-C4' energy: -10.590
flat angles C4'-P-C4' energy: -8.418
flat angles P-C4'-P energy: -6.574
tors. eta vs tors. theta energy: -1.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -159.046699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.046699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.046699 (E_RNA)
where:
Base-Base interactions energy: -110.096
where: short stacking energy: -43.938
Base-Backbone interact. energy: -0.001
local terms energy: -48.949624
where:
bonds (distance) C4'-P energy: -9.245
bonds (distance) P-C4' energy: -10.869
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -6.144
tors. eta vs tors. theta energy: -10.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -160.454574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.454574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.454574 (E_RNA)
where:
Base-Base interactions energy: -110.233
where: short stacking energy: -34.600
Base-Backbone interact. energy: 0.105
local terms energy: -50.325727
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -10.955
flat angles P-C4'-P energy: -6.404
tors. eta vs tors. theta energy: -9.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -138.295280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.295280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.295280 (E_RNA)
where:
Base-Base interactions energy: -85.031
where: short stacking energy: -38.491
Base-Backbone interact. energy: -0.002
local terms energy: -53.262977
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -7.662
flat angles C4'-P-C4' energy: -11.332
flat angles P-C4'-P energy: -6.985
tors. eta vs tors. theta energy: -14.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -128.542834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.542834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.542834 (E_RNA)
where:
Base-Base interactions energy: -78.245
where: short stacking energy: -24.173
Base-Backbone interact. energy: -0.034
local terms energy: -50.264105
where:
bonds (distance) C4'-P energy: -11.166
bonds (distance) P-C4' energy: -11.390
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -6.542
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: 5, replica: 7
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -113.183009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.183009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.183009 (E_RNA)
where:
Base-Base interactions energy: -68.291
where: short stacking energy: -23.518
Base-Backbone interact. energy: 1.318
local terms energy: -46.210366
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -14.235
flat angles C4'-P-C4' energy: -9.221
flat angles P-C4'-P energy: -8.231
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: 6, replica: 9
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -93.203562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.203562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.203562 (E_RNA)
where:
Base-Base interactions energy: -58.201
where: short stacking energy: -21.874
Base-Backbone interact. energy: -0.031
local terms energy: -34.971744
where:
bonds (distance) C4'-P energy: -10.788
bonds (distance) P-C4' energy: -10.240
flat angles C4'-P-C4' energy: -5.837
flat angles P-C4'-P energy: -4.264
tors. eta vs tors. theta energy: -3.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -64.440477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.440477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.440477 (E_RNA)
where:
Base-Base interactions energy: -24.801
where: short stacking energy: -24.801
Base-Backbone interact. energy: -0.015
local terms energy: -39.624518
where:
bonds (distance) C4'-P energy: -9.753
bonds (distance) P-C4' energy: -9.231
flat angles C4'-P-C4' energy: -11.105
flat angles P-C4'-P energy: -7.455
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: 8, replica: 8
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -63.439881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.439881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.439881 (E_RNA)
where:
Base-Base interactions energy: -17.478
where: short stacking energy: -17.136
Base-Backbone interact. energy: -0.047
local terms energy: -45.915380
where:
bonds (distance) C4'-P energy: -10.643
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -9.421
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -2.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -58.734591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.734591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.734591 (E_RNA)
where:
Base-Base interactions energy: -18.274
where: short stacking energy: -18.274
Base-Backbone interact. energy: -0.359
local terms energy: -40.101858
where:
bonds (distance) C4'-P energy: -9.322
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -5.209
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: 10, replica: 3
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -52.003000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.003000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.003000 (E_RNA)
where:
Base-Base interactions energy: -16.070
where: short stacking energy: -6.260
Base-Backbone interact. energy: -0.068
local terms energy: -35.865393
where:
bonds (distance) C4'-P energy: -11.281
bonds (distance) P-C4' energy: -11.592
flat angles C4'-P-C4' energy: -9.859
flat angles P-C4'-P energy: -2.756
tors. eta vs tors. theta energy: -0.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -159.025054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.025054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.025054 (E_RNA)
where:
Base-Base interactions energy: -107.902
where: short stacking energy: -40.847
Base-Backbone interact. energy: -0.064
local terms energy: -51.059368
where:
bonds (distance) C4'-P energy: -11.692
bonds (distance) P-C4' energy: -10.508
flat angles C4'-P-C4' energy: -10.138
flat angles P-C4'-P energy: -6.312
tors. eta vs tors. theta energy: -12.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -147.222285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.222285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.222285 (E_RNA)
where:
Base-Base interactions energy: -96.109
where: short stacking energy: -35.732
Base-Backbone interact. energy: 1.139
local terms energy: -52.252801
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -10.320
flat angles C4'-P-C4' energy: -11.877
flat angles P-C4'-P energy: -4.958
tors. eta vs tors. theta energy: -11.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -140.690750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.690750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.690750 (E_RNA)
where:
Base-Base interactions energy: -98.605
where: short stacking energy: -28.883
Base-Backbone interact. energy: -0.106
local terms energy: -41.979703
where:
bonds (distance) C4'-P energy: -8.048
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -8.617
flat angles P-C4'-P energy: -3.763
tors. eta vs tors. theta energy: -8.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -133.696271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.696271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.696271 (E_RNA)
where:
Base-Base interactions energy: -82.314
where: short stacking energy: -36.810
Base-Backbone interact. energy: -0.095
local terms energy: -51.286691
where:
bonds (distance) C4'-P energy: -11.016
bonds (distance) P-C4' energy: -11.023
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -4.804
tors. eta vs tors. theta energy: -10.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -110.966635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.966635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.966635 (E_RNA)
where:
Base-Base interactions energy: -69.059
where: short stacking energy: -22.341
Base-Backbone interact. energy: -0.061
local terms energy: -41.846496
where:
bonds (distance) C4'-P energy: -10.056
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -10.154
flat angles P-C4'-P energy: -7.160
tors. eta vs tors. theta energy: -0.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -73.999427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.999427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.999427 (E_RNA)
where:
Base-Base interactions energy: -40.976
where: short stacking energy: -15.914
Base-Backbone interact. energy: -0.101
local terms energy: -32.923173
where:
bonds (distance) C4'-P energy: -10.032
bonds (distance) P-C4' energy: -8.474
flat angles C4'-P-C4' energy: -9.536
flat angles P-C4'-P energy: -3.876
tors. eta vs tors. theta energy: -1.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -72.932379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.932379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.932379 (E_RNA)
where:
Base-Base interactions energy: -34.819
where: short stacking energy: -20.310
Base-Backbone interact. energy: -0.052
local terms energy: -38.060769
where:
bonds (distance) C4'-P energy: -10.263
bonds (distance) P-C4' energy: -12.122
flat angles C4'-P-C4' energy: -10.546
flat angles P-C4'-P energy: -6.851
tors. eta vs tors. theta energy: 1.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -65.667175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.667175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.667175 (E_RNA)
where:
Base-Base interactions energy: -21.880
where: short stacking energy: -22.930
Base-Backbone interact. energy: -0.150
local terms energy: -43.637124
where:
bonds (distance) C4'-P energy: -9.402
bonds (distance) P-C4' energy: -10.498
flat angles C4'-P-C4' energy: -10.681
flat angles P-C4'-P energy: -6.148
tors. eta vs tors. theta energy: -6.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -53.778046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.778046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.778046 (E_RNA)
where:
Base-Base interactions energy: -15.659
where: short stacking energy: -14.938
Base-Backbone interact. energy: -0.129
local terms energy: -37.989826
where:
bonds (distance) C4'-P energy: -10.040
bonds (distance) P-C4' energy: -11.356
flat angles C4'-P-C4' energy: -11.026
flat angles P-C4'-P energy: -5.336
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: 10, replica: 6
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -59.640924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.640924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.640924 (E_RNA)
where:
Base-Base interactions energy: -29.961
where: short stacking energy: -18.925
Base-Backbone interact. energy: 0.044
local terms energy: -29.724384
where:
bonds (distance) C4'-P energy: -7.464
bonds (distance) P-C4' energy: -8.539
flat angles C4'-P-C4' energy: -9.002
flat angles P-C4'-P energy: -3.793
tors. eta vs tors. theta energy: -0.926
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: 10
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -155.355966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.355966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.355966 (E_RNA)
where:
Base-Base interactions energy: -102.004
where: short stacking energy: -43.173
Base-Backbone interact. energy: -0.767
local terms energy: -52.585230
where:
bonds (distance) C4'-P energy: -11.398
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -10.655
flat angles P-C4'-P energy: -6.752
tors. eta vs tors. theta energy: -10.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -155.285712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.285712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.285712 (E_RNA)
where:
Base-Base interactions energy: -100.317
where: short stacking energy: -43.947
Base-Backbone interact. energy: -0.162
local terms energy: -54.806979
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -11.387
flat angles C4'-P-C4' energy: -10.045
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -11.841
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: 3, replica: 2
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -141.034670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.034670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.034670 (E_RNA)
where:
Base-Base interactions energy: -79.820
where: short stacking energy: -34.603
Base-Backbone interact. energy: -0.073
local terms energy: -61.141846
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -11.350
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: -12.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -136.956247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.956247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.956247 (E_RNA)
where:
Base-Base interactions energy: -80.348
where: short stacking energy: -27.747
Base-Backbone interact. energy: -0.011
local terms energy: -56.597250
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -10.993
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -10.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -92.157850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.157850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.157850 (E_RNA)
where:
Base-Base interactions energy: -45.674
where: short stacking energy: -25.865
Base-Backbone interact. energy: -0.932
local terms energy: -45.551765
where:
bonds (distance) C4'-P energy: -10.139
bonds (distance) P-C4' energy: -8.678
flat angles C4'-P-C4' energy: -9.717
flat angles P-C4'-P energy: -8.264
tors. eta vs tors. theta energy: -8.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -90.290343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.290343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.290343 (E_RNA)
where:
Base-Base interactions energy: -48.345
where: short stacking energy: -24.228
Base-Backbone interact. energy: -0.109
local terms energy: -41.835472
where:
bonds (distance) C4'-P energy: -8.157
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -8.218
flat angles P-C4'-P energy: -6.415
tors. eta vs tors. theta energy: -6.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -74.421182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.421182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.421182 (E_RNA)
where:
Base-Base interactions energy: -30.420
where: short stacking energy: -30.420
Base-Backbone interact. energy: -0.085
local terms energy: -43.915711
where:
bonds (distance) C4'-P energy: -9.480
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -7.377
flat angles P-C4'-P energy: -6.298
tors. eta vs tors. theta energy: -8.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -68.904121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.904121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.904121 (E_RNA)
where:
Base-Base interactions energy: -27.355
where: short stacking energy: -17.351
Base-Backbone interact. energy: -0.061
local terms energy: -41.487521
where:
bonds (distance) C4'-P energy: -10.802
bonds (distance) P-C4' energy: -10.391
flat angles C4'-P-C4' energy: -8.779
flat angles P-C4'-P energy: -6.154
tors. eta vs tors. theta energy: -5.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -64.762924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.762924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.762924 (E_RNA)
where:
Base-Base interactions energy: -17.150
where: short stacking energy: -17.150
Base-Backbone interact. energy: -0.452
local terms energy: -47.160647
where:
bonds (distance) C4'-P energy: -11.336
bonds (distance) P-C4' energy: -12.297
flat angles C4'-P-C4' energy: -10.260
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -6.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -62.510942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.510942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.510942 (E_RNA)
where:
Base-Base interactions energy: -36.662
where: short stacking energy: -15.907
Base-Backbone interact. energy: -0.290
local terms energy: -25.558624
where:
bonds (distance) C4'-P energy: -7.208
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -7.957
flat angles P-C4'-P energy: 1.349
tors. eta vs tors. theta energy: 1.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -148.355401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.355401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.355401 (E_RNA)
where:
Base-Base interactions energy: -96.042
where: short stacking energy: -39.061
Base-Backbone interact. energy: -0.023
local terms energy: -52.290346
where:
bonds (distance) C4'-P energy: -11.406
bonds (distance) P-C4' energy: -10.688
flat angles C4'-P-C4' energy: -11.800
flat angles P-C4'-P energy: -7.804
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: 2, replica: 5
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -146.075523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.075523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.075523 (E_RNA)
where:
Base-Base interactions energy: -90.974
where: short stacking energy: -38.337
Base-Backbone interact. energy: -0.090
local terms energy: -55.011539
where:
bonds (distance) C4'-P energy: -12.009
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -11.018
flat angles P-C4'-P energy: -6.438
tors. eta vs tors. theta energy: -12.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -139.732080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.732080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.732080 (E_RNA)
where:
Base-Base interactions energy: -85.957
where: short stacking energy: -41.170
Base-Backbone interact. energy: 0.084
local terms energy: -53.859101
where:
bonds (distance) C4'-P energy: -11.699
bonds (distance) P-C4' energy: -8.703
flat angles C4'-P-C4' energy: -10.075
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -13.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -150.886665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.886665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.886665 (E_RNA)
where:
Base-Base interactions energy: -97.483
where: short stacking energy: -33.631
Base-Backbone interact. energy: -0.127
local terms energy: -53.276493
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -11.444
flat angles P-C4'-P energy: -7.026
tors. eta vs tors. theta energy: -9.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -94.466147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.466147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.466147 (E_RNA)
where:
Base-Base interactions energy: -46.326
where: short stacking energy: -22.186
Base-Backbone interact. energy: -0.129
local terms energy: -48.010917
where:
bonds (distance) C4'-P energy: -9.464
bonds (distance) P-C4' energy: -12.163
flat angles C4'-P-C4' energy: -9.436
flat angles P-C4'-P energy: -9.518
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: 6, replica: 7
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -63.515747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.515747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.515747 (E_RNA)
where:
Base-Base interactions energy: -21.550
where: short stacking energy: -16.466
Base-Backbone interact. energy: -0.094
local terms energy: -41.871782
where:
bonds (distance) C4'-P energy: -11.389
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -9.113
flat angles P-C4'-P energy: -7.527
tors. eta vs tors. theta energy: -0.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -69.515016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.515016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.515016 (E_RNA)
where:
Base-Base interactions energy: -25.203
where: short stacking energy: -24.766
Base-Backbone interact. energy: -0.255
local terms energy: -44.057705
where:
bonds (distance) C4'-P energy: -10.135
bonds (distance) P-C4' energy: -10.495
flat angles C4'-P-C4' energy: -9.676
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -5.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -86.677992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.677992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.677992 (E_RNA)
where:
Base-Base interactions energy: -47.126
where: short stacking energy: -28.370
Base-Backbone interact. energy: -0.090
local terms energy: -39.462266
where:
bonds (distance) C4'-P energy: -5.522
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -11.026
flat angles P-C4'-P energy: -3.772
tors. eta vs tors. theta energy: -6.555
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: 6
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -60.403086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.403086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.403086 (E_RNA)
where:
Base-Base interactions energy: -20.749
where: short stacking energy: -16.568
Base-Backbone interact. energy: 1.513
local terms energy: -41.167111
where:
bonds (distance) C4'-P energy: -9.145
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -9.546
flat angles P-C4'-P energy: -7.546
tors. eta vs tors. theta energy: -1.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -58.680959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.680959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.680959 (E_RNA)
where:
Base-Base interactions energy: -22.846
where: short stacking energy: -22.846
Base-Backbone interact. energy: -0.166
local terms energy: -35.669217
where:
bonds (distance) C4'-P energy: -10.367
bonds (distance) P-C4' energy: -13.230
flat angles C4'-P-C4' energy: -10.093
flat angles P-C4'-P energy: -2.877
tors. eta vs tors. theta energy: 0.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -154.167394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.167394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.167394 (E_RNA)
where:
Base-Base interactions energy: -98.312
where: short stacking energy: -39.145
Base-Backbone interact. energy: 1.104
local terms energy: -56.958886
where:
bonds (distance) C4'-P energy: -8.645
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -6.232
tors. eta vs tors. theta energy: -14.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -136.301691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.301691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.301691 (E_RNA)
where:
Base-Base interactions energy: -84.921
where: short stacking energy: -32.498
Base-Backbone interact. energy: -0.060
local terms energy: -51.320379
where:
bonds (distance) C4'-P energy: -10.694
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -6.978
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: 3, replica: 4
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -140.327801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.327801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.327801 (E_RNA)
where:
Base-Base interactions energy: -90.098
where: short stacking energy: -38.369
Base-Backbone interact. energy: -0.085
local terms energy: -50.144837
where:
bonds (distance) C4'-P energy: -10.469
bonds (distance) P-C4' energy: -11.264
flat angles C4'-P-C4' energy: -11.177
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: -9.756
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: 2
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -143.267274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.267274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.267274 (E_RNA)
where:
Base-Base interactions energy: -84.812
where: short stacking energy: -34.556
Base-Backbone interact. energy: -0.021
local terms energy: -58.433705
where:
bonds (distance) C4'-P energy: -11.078
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -7.158
tors. eta vs tors. theta energy: -13.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -105.357555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.357555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.357555 (E_RNA)
where:
Base-Base interactions energy: -58.793
where: short stacking energy: -27.978
Base-Backbone interact. energy: -1.069
local terms energy: -45.495685
where:
bonds (distance) C4'-P energy: -8.156
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -5.015
tors. eta vs tors. theta energy: -6.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -74.164228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.164228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.164228 (E_RNA)
where:
Base-Base interactions energy: -29.553
where: short stacking energy: -29.553
Base-Backbone interact. energy: -0.000
local terms energy: -44.610628
where:
bonds (distance) C4'-P energy: -8.346
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -5.979
flat angles P-C4'-P energy: -7.387
tors. eta vs tors. theta energy: -9.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -62.572085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.572085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.572085 (E_RNA)
where:
Base-Base interactions energy: -21.521
where: short stacking energy: -21.521
Base-Backbone interact. energy: -0.032
local terms energy: -41.018838
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -7.264
flat angles C4'-P-C4' energy: -11.209
flat angles P-C4'-P energy: -7.248
tors. eta vs tors. theta energy: -3.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -75.712607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.712607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.712607 (E_RNA)
where:
Base-Base interactions energy: -45.396
where: short stacking energy: -10.100
Base-Backbone interact. energy: 0.952
local terms energy: -31.269321
where:
bonds (distance) C4'-P energy: -10.690
bonds (distance) P-C4' energy: -7.865
flat angles C4'-P-C4' energy: -9.272
flat angles P-C4'-P energy: -6.943
tors. eta vs tors. theta energy: 3.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -65.071667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.071667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.071667 (E_RNA)
where:
Base-Base interactions energy: -33.286
where: short stacking energy: -17.538
Base-Backbone interact. energy: -0.335
local terms energy: -31.450125
where:
bonds (distance) C4'-P energy: -9.542
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -8.858
flat angles P-C4'-P energy: -3.052
tors. eta vs tors. theta energy: 2.790
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: 443
Temperature: 1.350000
Total energy: -57.682248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.682248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.682248 (E_RNA)
where:
Base-Base interactions energy: -17.157
where: short stacking energy: -15.165
Base-Backbone interact. energy: -0.094
local terms energy: -40.430807
where:
bonds (distance) C4'-P energy: -10.375
bonds (distance) P-C4' energy: -11.003
flat angles C4'-P-C4' energy: -9.836
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -0.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -142.339987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.339987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.339987 (E_RNA)
where:
Base-Base interactions energy: -87.129
where: short stacking energy: -35.615
Base-Backbone interact. energy: 0.178
local terms energy: -55.388933
where:
bonds (distance) C4'-P energy: -10.756
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -10.806
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -10.620
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: 10
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -154.145155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.145155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.145155 (E_RNA)
where:
Base-Base interactions energy: -101.571
where: short stacking energy: -35.043
Base-Backbone interact. energy: -0.099
local terms energy: -52.474762
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -10.941
flat angles P-C4'-P energy: -3.619
tors. eta vs tors. theta energy: -12.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -145.268810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.268810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.268810 (E_RNA)
where:
Base-Base interactions energy: -98.284
where: short stacking energy: -34.243
Base-Backbone interact. energy: -0.006
local terms energy: -46.979588
where:
bonds (distance) C4'-P energy: -9.346
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -7.130
flat angles P-C4'-P energy: -6.297
tors. eta vs tors. theta energy: -10.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -135.051008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.051008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.051008 (E_RNA)
where:
Base-Base interactions energy: -83.429
where: short stacking energy: -39.099
Base-Backbone interact. energy: -0.151
local terms energy: -51.470679
where:
bonds (distance) C4'-P energy: -12.768
bonds (distance) P-C4' energy: -9.699
flat angles C4'-P-C4' energy: -10.112
flat angles P-C4'-P energy: -6.309
tors. eta vs tors. theta energy: -12.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -78.460517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.460517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.460517 (E_RNA)
where:
Base-Base interactions energy: -37.389
where: short stacking energy: -24.414
Base-Backbone interact. energy: -0.159
local terms energy: -40.911879
where:
bonds (distance) C4'-P energy: -10.367
bonds (distance) P-C4' energy: -8.930
flat angles C4'-P-C4' energy: -11.382
flat angles P-C4'-P energy: -7.354
tors. eta vs tors. theta energy: -2.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -77.462394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.462394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.462394 (E_RNA)
where:
Base-Base interactions energy: -38.430
where: short stacking energy: -18.603
Base-Backbone interact. energy: 0.989
local terms energy: -40.022066
where:
bonds (distance) C4'-P energy: -6.239
bonds (distance) P-C4' energy: -11.101
flat angles C4'-P-C4' energy: -11.603
flat angles P-C4'-P energy: -6.383
tors. eta vs tors. theta energy: -4.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -63.117093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.117093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.117093 (E_RNA)
where:
Base-Base interactions energy: -21.956
where: short stacking energy: -14.259
Base-Backbone interact. energy: 0.509
local terms energy: -41.670258
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -11.216
flat angles C4'-P-C4' energy: -8.126
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -2.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -56.380759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.380759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.380759 (E_RNA)
where:
Base-Base interactions energy: -20.469
where: short stacking energy: -14.111
Base-Backbone interact. energy: -0.216
local terms energy: -35.695069
where:
bonds (distance) C4'-P energy: -10.812
bonds (distance) P-C4' energy: -10.862
flat angles C4'-P-C4' energy: -7.454
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: 1.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -62.134883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.134883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.134883 (E_RNA)
where:
Base-Base interactions energy: -20.786
where: short stacking energy: -17.057
Base-Backbone interact. energy: -0.669
local terms energy: -40.680243
where:
bonds (distance) C4'-P energy: -11.965
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -5.796
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: -4.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -54.981129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.981129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.981129 (E_RNA)
where:
Base-Base interactions energy: -13.879
where: short stacking energy: -12.205
Base-Backbone interact. energy: -0.004
local terms energy: -41.098153
where:
bonds (distance) C4'-P energy: -11.534
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -8.392
flat angles P-C4'-P energy: -6.553
tors. eta vs tors. theta energy: -2.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -144.209921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.209921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.209921 (E_RNA)
where:
Base-Base interactions energy: -84.594
where: short stacking energy: -34.031
Base-Backbone interact. energy: 0.002
local terms energy: -59.617718
where:
bonds (distance) C4'-P energy: -10.536
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: -12.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -157.005130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.005130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.005130 (E_RNA)
where:
Base-Base interactions energy: -105.272
where: short stacking energy: -36.307
Base-Backbone interact. energy: -0.016
local terms energy: -51.717217
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -8.170
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -7.422
tors. eta vs tors. theta energy: -11.802
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: 10
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -150.306891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.306891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.306891 (E_RNA)
where:
Base-Base interactions energy: -93.621
where: short stacking energy: -39.013
Base-Backbone interact. energy: -0.001
local terms energy: -56.684985
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -8.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -131.523586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.523586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.523586 (E_RNA)
where:
Base-Base interactions energy: -82.247
where: short stacking energy: -35.753
Base-Backbone interact. energy: -0.443
local terms energy: -48.834177
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -10.975
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -2.356
tors. eta vs tors. theta energy: -8.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -92.236904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.236904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.236904 (E_RNA)
where:
Base-Base interactions energy: -53.102
where: short stacking energy: -27.753
Base-Backbone interact. energy: -0.156
local terms energy: -38.978803
where:
bonds (distance) C4'-P energy: -11.862
bonds (distance) P-C4' energy: -10.579
flat angles C4'-P-C4' energy: -7.301
flat angles P-C4'-P energy: -3.567
tors. eta vs tors. theta energy: -5.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -66.247768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.247768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.247768 (E_RNA)
where:
Base-Base interactions energy: -27.259
where: short stacking energy: -19.971
Base-Backbone interact. energy: -0.048
local terms energy: -38.940617
where:
bonds (distance) C4'-P energy: -7.082
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -10.746
flat angles P-C4'-P energy: -4.680
tors. eta vs tors. theta energy: -3.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -67.918375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.918375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.918375 (E_RNA)
where:
Base-Base interactions energy: -33.805
where: short stacking energy: -23.346
Base-Backbone interact. energy: 0.390
local terms energy: -34.504057
where:
bonds (distance) C4'-P energy: -5.791
bonds (distance) P-C4' energy: -10.763
flat angles C4'-P-C4' energy: -11.129
flat angles P-C4'-P energy: -3.932
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: 8, replica: 1
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -65.802723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.802723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.802723 (E_RNA)
where:
Base-Base interactions energy: -31.381
where: short stacking energy: -14.935
Base-Backbone interact. energy: -0.430
local terms energy: -33.992043
where:
bonds (distance) C4'-P energy: -5.950
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -3.601
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -2.815
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: 9, replica: 7
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -62.695526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.695526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.695526 (E_RNA)
where:
Base-Base interactions energy: -21.616
where: short stacking energy: -21.616
Base-Backbone interact. energy: -0.165
local terms energy: -40.914354
where:
bonds (distance) C4'-P energy: -10.598
bonds (distance) P-C4' energy: -10.366
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -4.569
tors. eta vs tors. theta energy: -3.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -58.819312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.819312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.819312 (E_RNA)
where:
Base-Base interactions energy: -23.704
where: short stacking energy: -7.833
Base-Backbone interact. energy: -0.137
local terms energy: -34.978379
where:
bonds (distance) C4'-P energy: -10.122
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -8.967
flat angles P-C4'-P energy: -7.043
tors. eta vs tors. theta energy: 2.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -160.313774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.313774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.313774 (E_RNA)
where:
Base-Base interactions energy: -101.437
where: short stacking energy: -35.590
Base-Backbone interact. energy: -0.001
local terms energy: -58.875582
where:
bonds (distance) C4'-P energy: -10.139
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -11.686
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -13.808
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: 2, replica: 5
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -148.507827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.507827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.507827 (E_RNA)
where:
Base-Base interactions energy: -91.055
where: short stacking energy: -48.605
Base-Backbone interact. energy: -0.015
local terms energy: -57.437065
where:
bonds (distance) C4'-P energy: -11.629
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -12.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -143.773103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.773103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.773103 (E_RNA)
where:
Base-Base interactions energy: -84.440
where: short stacking energy: -44.799
Base-Backbone interact. energy: -0.107
local terms energy: -59.226511
where:
bonds (distance) C4'-P energy: -13.165
bonds (distance) P-C4' energy: -9.754
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -14.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -128.922779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.922779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.922779 (E_RNA)
where:
Base-Base interactions energy: -80.479
where: short stacking energy: -28.875
Base-Backbone interact. energy: 0.011
local terms energy: -48.454870
where:
bonds (distance) C4'-P energy: -9.343
bonds (distance) P-C4' energy: -12.871
flat angles C4'-P-C4' energy: -9.323
flat angles P-C4'-P energy: -10.103
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: 5, replica: 3
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -73.536628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.536628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.536628 (E_RNA)
where:
Base-Base interactions energy: -26.366
where: short stacking energy: -26.366
Base-Backbone interact. energy: -0.210
local terms energy: -46.960420
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -12.068
flat angles C4'-P-C4' energy: -9.811
flat angles P-C4'-P energy: -4.880
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: 6, replica: 9
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -65.797616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.797616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.797616 (E_RNA)
where:
Base-Base interactions energy: -26.257
where: short stacking energy: -14.548
Base-Backbone interact. energy: 0.352
local terms energy: -39.892135
where:
bonds (distance) C4'-P energy: -10.433
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -5.624
tors. eta vs tors. theta energy: 1.821
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: 1
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -64.240979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.240979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.240979 (E_RNA)
where:
Base-Base interactions energy: -23.384
where: short stacking energy: -21.731
Base-Backbone interact. energy: -0.106
local terms energy: -40.751891
where:
bonds (distance) C4'-P energy: -11.692
bonds (distance) P-C4' energy: -8.521
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -1.136
tors. eta vs tors. theta energy: -5.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -63.065536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.065536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.065536 (E_RNA)
where:
Base-Base interactions energy: -22.707
where: short stacking energy: -15.602
Base-Backbone interact. energy: -1.113
local terms energy: -39.246174
where:
bonds (distance) C4'-P energy: -9.626
bonds (distance) P-C4' energy: -12.650
flat angles C4'-P-C4' energy: -11.080
flat angles P-C4'-P energy: -3.960
tors. eta vs tors. theta energy: -1.929
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: 6
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -79.758688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.758688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.758688 (E_RNA)
where:
Base-Base interactions energy: -36.112
where: short stacking energy: -16.183
Base-Backbone interact. energy: -0.106
local terms energy: -43.541089
where:
bonds (distance) C4'-P energy: -12.080
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -10.682
flat angles P-C4'-P energy: -8.118
tors. eta vs tors. theta energy: -1.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -55.660036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.660036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.660036 (E_RNA)
where:
Base-Base interactions energy: -19.654
where: short stacking energy: -19.654
Base-Backbone interact. energy: 1.526
local terms energy: -37.531212
where:
bonds (distance) C4'-P energy: -9.083
bonds (distance) P-C4' energy: -10.461
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -2.978
tors. eta vs tors. theta energy: -3.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -153.831462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.831462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.831462 (E_RNA)
where:
Base-Base interactions energy: -97.147
where: short stacking energy: -37.491
Base-Backbone interact. energy: -0.095
local terms energy: -56.589521
where:
bonds (distance) C4'-P energy: -9.572
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -8.118
tors. eta vs tors. theta energy: -12.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -144.058156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.058156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.058156 (E_RNA)
where:
Base-Base interactions energy: -87.548
where: short stacking energy: -35.265
Base-Backbone interact. energy: 0.002
local terms energy: -56.512021
where:
bonds (distance) C4'-P energy: -11.260
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -9.882
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: 3, replica: 5
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -147.040620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.040620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.040620 (E_RNA)
where:
Base-Base interactions energy: -97.986
where: short stacking energy: -34.714
Base-Backbone interact. energy: 0.664
local terms energy: -49.718134
where:
bonds (distance) C4'-P energy: -9.854
bonds (distance) P-C4' energy: -9.777
flat angles C4'-P-C4' energy: -9.035
flat angles P-C4'-P energy: -10.853
tors. eta vs tors. theta energy: -10.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -125.998888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.998888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.998888 (E_RNA)
where:
Base-Base interactions energy: -77.334
where: short stacking energy: -31.323
Base-Backbone interact. energy: -0.113
local terms energy: -48.552169
where:
bonds (distance) C4'-P energy: -11.981
bonds (distance) P-C4' energy: -11.596
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -6.475
tors. eta vs tors. theta energy: -5.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -68.099461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.099461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.099461 (E_RNA)
where:
Base-Base interactions energy: -25.174
where: short stacking energy: -11.756
Base-Backbone interact. energy: -0.068
local terms energy: -42.857502
where:
bonds (distance) C4'-P energy: -10.412
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -10.036
flat angles P-C4'-P energy: -1.821
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: 6, replica: 1
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -71.051184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.051184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.051184 (E_RNA)
where:
Base-Base interactions energy: -26.669
where: short stacking energy: -26.669
Base-Backbone interact. energy: -0.694
local terms energy: -43.687812
where:
bonds (distance) C4'-P energy: -11.584
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -6.809
flat angles P-C4'-P energy: -2.839
tors. eta vs tors. theta energy: -9.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -80.015168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.015168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.015168 (E_RNA)
where:
Base-Base interactions energy: -38.491
where: short stacking energy: -18.319
Base-Backbone interact. energy: -0.092
local terms energy: -41.431972
where:
bonds (distance) C4'-P energy: -10.279
bonds (distance) P-C4' energy: -10.403
flat angles C4'-P-C4' energy: -10.674
flat angles P-C4'-P energy: -4.922
tors. eta vs tors. theta energy: -5.154
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: 447
Temperature: 1.250000
Total energy: -66.141332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.141332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.141332 (E_RNA)
where:
Base-Base interactions energy: -30.616
where: short stacking energy: -13.753
Base-Backbone interact. energy: -0.023
local terms energy: -35.502973
where:
bonds (distance) C4'-P energy: -10.732
bonds (distance) P-C4' energy: -9.583
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -3.372
tors. eta vs tors. theta energy: -0.453
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: 8
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -54.954602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.954602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.954602 (E_RNA)
where:
Base-Base interactions energy: -12.283
where: short stacking energy: -12.283
Base-Backbone interact. energy: -0.501
local terms energy: -42.170442
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -8.856
flat angles P-C4'-P energy: -7.384
tors. eta vs tors. theta energy: -0.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -64.779496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.779496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.779496 (E_RNA)
where:
Base-Base interactions energy: -33.958
where: short stacking energy: -10.674
Base-Backbone interact. energy: -0.230
local terms energy: -30.591890
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -9.430
flat angles C4'-P-C4' energy: -4.232
flat angles P-C4'-P energy: -4.440
tors. eta vs tors. theta energy: -1.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -155.005632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.005632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.005632 (E_RNA)
where:
Base-Base interactions energy: -99.086
where: short stacking energy: -38.331
Base-Backbone interact. energy: 0.310
local terms energy: -56.229905
where:
bonds (distance) C4'-P energy: -11.870
bonds (distance) P-C4' energy: -11.074
flat angles C4'-P-C4' energy: -11.666
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: -10.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -140.049774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.049774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.049774 (E_RNA)
where:
Base-Base interactions energy: -85.596
where: short stacking energy: -40.058
Base-Backbone interact. energy: -0.108
local terms energy: -54.346035
where:
bonds (distance) C4'-P energy: -8.349
bonds (distance) P-C4' energy: -11.384
flat angles C4'-P-C4' energy: -12.491
flat angles P-C4'-P energy: -6.030
tors. eta vs tors. theta energy: -16.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -140.628711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.628711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.628711 (E_RNA)
where:
Base-Base interactions energy: -84.234
where: short stacking energy: -34.694
Base-Backbone interact. energy: -0.174
local terms energy: -56.221596
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -7.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -135.057320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.057320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.057320 (E_RNA)
where:
Base-Base interactions energy: -83.185
where: short stacking energy: -46.067
Base-Backbone interact. energy: -0.001
local terms energy: -51.871237
where:
bonds (distance) C4'-P energy: -9.206
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -10.159
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -12.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -101.953627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.953627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.953627 (E_RNA)
where:
Base-Base interactions energy: -53.774
where: short stacking energy: -16.613
Base-Backbone interact. energy: -0.022
local terms energy: -48.157743
where:
bonds (distance) C4'-P energy: -8.097
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -11.162
flat angles P-C4'-P energy: -5.559
tors. eta vs tors. theta energy: -8.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -76.146124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.146124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.146124 (E_RNA)
where:
Base-Base interactions energy: -27.724
where: short stacking energy: -21.590
Base-Backbone interact. energy: -0.125
local terms energy: -48.296758
where:
bonds (distance) C4'-P energy: -9.931
bonds (distance) P-C4' energy: -12.230
flat angles C4'-P-C4' energy: -9.577
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -6.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -77.565700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.565700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.565700 (E_RNA)
where:
Base-Base interactions energy: -31.917
where: short stacking energy: -12.560
Base-Backbone interact. energy: -0.995
local terms energy: -44.653620
where:
bonds (distance) C4'-P energy: -9.455
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -7.923
tors. eta vs tors. theta energy: -0.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -60.049955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.049955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.049955 (E_RNA)
where:
Base-Base interactions energy: -22.824
where: short stacking energy: -13.167
Base-Backbone interact. energy: -0.168
local terms energy: -37.057669
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -10.122
flat angles C4'-P-C4' energy: -8.203
flat angles P-C4'-P energy: -7.404
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: 9, replica: 7
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -59.764675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.764675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.764675 (E_RNA)
where:
Base-Base interactions energy: -12.788
where: short stacking energy: -12.788
Base-Backbone interact. energy: -0.126
local terms energy: -46.851334
where:
bonds (distance) C4'-P energy: -11.939
bonds (distance) P-C4' energy: -12.822
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -6.517
tors. eta vs tors. theta energy: -2.482
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: 8
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -56.366046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.366046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.366046 (E_RNA)
where:
Base-Base interactions energy: -18.360
where: short stacking energy: -11.260
Base-Backbone interact. energy: -0.076
local terms energy: -37.930844
where:
bonds (distance) C4'-P energy: -12.279
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -8.247
flat angles P-C4'-P energy: -6.054
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: 1, replica: 4
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -158.176397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.176397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.176397 (E_RNA)
where:
Base-Base interactions energy: -102.275
where: short stacking energy: -37.417
Base-Backbone interact. energy: -0.104
local terms energy: -55.797450
where:
bonds (distance) C4'-P energy: -11.613
bonds (distance) P-C4' energy: -9.656
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -8.550
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: 2, replica: 10
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -155.947247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.947247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.947247 (E_RNA)
where:
Base-Base interactions energy: -115.470
where: short stacking energy: -37.409
Base-Backbone interact. energy: -0.278
local terms energy: -40.199009
where:
bonds (distance) C4'-P energy: -11.266
bonds (distance) P-C4' energy: -8.660
flat angles C4'-P-C4' energy: -8.013
flat angles P-C4'-P energy: -3.724
tors. eta vs tors. theta energy: -8.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -139.975097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.975097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.975097 (E_RNA)
where:
Base-Base interactions energy: -83.196
where: short stacking energy: -36.651
Base-Backbone interact. energy: -0.000
local terms energy: -56.778480
where:
bonds (distance) C4'-P energy: -10.170
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -6.666
tors. eta vs tors. theta energy: -13.675
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: 449
Temperature: 1.050000
Total energy: -137.719960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.719960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.719960 (E_RNA)
where:
Base-Base interactions energy: -84.974
where: short stacking energy: -36.736
Base-Backbone interact. energy: -0.002
local terms energy: -52.743821
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -10.305
flat angles C4'-P-C4' energy: -10.728
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -9.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -106.998031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.998031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.998031 (E_RNA)
where:
Base-Base interactions energy: -59.114
where: short stacking energy: -26.299
Base-Backbone interact. energy: 0.826
local terms energy: -48.709958
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -12.883
flat angles C4'-P-C4' energy: -11.411
flat angles P-C4'-P energy: -6.664
tors. eta vs tors. theta energy: -5.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -110.778830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.778830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.778830 (E_RNA)
where:
Base-Base interactions energy: -61.731
where: short stacking energy: -23.942
Base-Backbone interact. energy: -0.918
local terms energy: -48.129892
where:
bonds (distance) C4'-P energy: -9.377
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -12.365
flat angles P-C4'-P energy: -6.339
tors. eta vs tors. theta energy: -7.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -78.225315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.225315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.225315 (E_RNA)
where:
Base-Base interactions energy: -33.177
where: short stacking energy: -27.885
Base-Backbone interact. energy: -0.111
local terms energy: -44.937765
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -7.953
flat angles C4'-P-C4' energy: -11.015
flat angles P-C4'-P energy: -7.115
tors. eta vs tors. theta energy: -6.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -66.708309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.708309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.708309 (E_RNA)
where:
Base-Base interactions energy: -30.587
where: short stacking energy: -17.460
Base-Backbone interact. energy: -0.190
local terms energy: -35.931159
where:
bonds (distance) C4'-P energy: -6.381
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -9.982
flat angles P-C4'-P energy: -3.751
tors. eta vs tors. theta energy: -2.981
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: 9
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -70.482053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.482053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.482053 (E_RNA)
where:
Base-Base interactions energy: -35.311
where: short stacking energy: -24.817
Base-Backbone interact. energy: 0.733
local terms energy: -35.903500
where:
bonds (distance) C4'-P energy: -6.550
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -5.632
flat angles P-C4'-P energy: -5.869
tors. eta vs tors. theta energy: -4.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -56.827343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.827343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.827343 (E_RNA)
where:
Base-Base interactions energy: -15.814
where: short stacking energy: -14.558
Base-Backbone interact. energy: -0.048
local terms energy: -40.965435
where:
bonds (distance) C4'-P energy: -9.319
bonds (distance) P-C4' energy: -10.190
flat angles C4'-P-C4' energy: -8.316
flat angles P-C4'-P energy: -6.295
tors. eta vs tors. theta energy: -6.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -157.322477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.322477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.322477 (E_RNA)
where:
Base-Base interactions energy: -102.294
where: short stacking energy: -40.585
Base-Backbone interact. energy: -0.006
local terms energy: -55.022360
where:
bonds (distance) C4'-P energy: -11.666
bonds (distance) P-C4' energy: -13.122
flat angles C4'-P-C4' energy: -11.062
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: -11.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -160.507676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.507676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.507676 (E_RNA)
where:
Base-Base interactions energy: -110.494
where: short stacking energy: -32.793
Base-Backbone interact. energy: -0.024
local terms energy: -49.990018
where:
bonds (distance) C4'-P energy: -11.637
bonds (distance) P-C4' energy: -11.006
flat angles C4'-P-C4' energy: -8.102
flat angles P-C4'-P energy: -8.403
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: 3, replica: 5
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -149.616199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.616199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.616199 (E_RNA)
where:
Base-Base interactions energy: -95.486
where: short stacking energy: -30.333
Base-Backbone interact. energy: -0.006
local terms energy: -54.124467
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -10.520
flat angles P-C4'-P energy: -5.023
tors. eta vs tors. theta energy: -11.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -140.925763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.925763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.925763 (E_RNA)
where:
Base-Base interactions energy: -91.001
where: short stacking energy: -35.798
Base-Backbone interact. energy: -0.028
local terms energy: -49.896695
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -12.535
flat angles C4'-P-C4' energy: -9.738
flat angles P-C4'-P energy: -3.473
tors. eta vs tors. theta energy: -13.526
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: 1
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -101.175044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.175044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.175044 (E_RNA)
where:
Base-Base interactions energy: -54.386
where: short stacking energy: -26.440
Base-Backbone interact. energy: -1.116
local terms energy: -45.672926
where:
bonds (distance) C4'-P energy: -11.265
bonds (distance) P-C4' energy: -9.558
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -8.263
tors. eta vs tors. theta energy: -3.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -96.320870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.320870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.320870 (E_RNA)
where:
Base-Base interactions energy: -61.401
where: short stacking energy: -18.588
Base-Backbone interact. energy: -0.389
local terms energy: -34.530564
where:
bonds (distance) C4'-P energy: -5.274
bonds (distance) P-C4' energy: -10.007
flat angles C4'-P-C4' energy: -6.066
flat angles P-C4'-P energy: -6.298
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: 7, replica: 7
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -72.732325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.732325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.732325 (E_RNA)
where:
Base-Base interactions energy: -39.397
where: short stacking energy: -14.306
Base-Backbone interact. energy: -0.123
local terms energy: -33.212279
where:
bonds (distance) C4'-P energy: -9.846
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -6.478
flat angles P-C4'-P energy: -4.637
tors. eta vs tors. theta energy: 0.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -70.149861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.149861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.149861 (E_RNA)
where:
Base-Base interactions energy: -36.748
where: short stacking energy: -16.438
Base-Backbone interact. energy: -0.197
local terms energy: -33.205297
where:
bonds (distance) C4'-P energy: -7.953
bonds (distance) P-C4' energy: -11.446
flat angles C4'-P-C4' energy: -9.575
flat angles P-C4'-P energy: -4.225
tors. eta vs tors. theta energy: -0.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -63.187030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.187030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.187030 (E_RNA)
where:
Base-Base interactions energy: -27.418
where: short stacking energy: -15.530
Base-Backbone interact. energy: -0.231
local terms energy: -35.537664
where:
bonds (distance) C4'-P energy: -11.559
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -8.059
flat angles P-C4'-P energy: -4.781
tors. eta vs tors. theta energy: 0.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -63.644198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.644198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.644198 (E_RNA)
where:
Base-Base interactions energy: -25.394
where: short stacking energy: -17.544
Base-Backbone interact. energy: -0.413
local terms energy: -37.837675
where:
bonds (distance) C4'-P energy: -10.238
bonds (distance) P-C4' energy: -10.178
flat angles C4'-P-C4' energy: -7.647
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -0.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -157.778073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.778073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.778073 (E_RNA)
where:
Base-Base interactions energy: -103.980
where: short stacking energy: -39.666
Base-Backbone interact. energy: -0.019
local terms energy: -53.779109
where:
bonds (distance) C4'-P energy: -10.937
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -9.300
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -11.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -151.969975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.969975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.969975 (E_RNA)
where:
Base-Base interactions energy: -95.405
where: short stacking energy: -36.439
Base-Backbone interact. energy: -0.062
local terms energy: -56.502750
where:
bonds (distance) C4'-P energy: -12.635
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -9.544
flat angles P-C4'-P energy: -7.418
tors. eta vs tors. theta energy: -12.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -147.281028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.281028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.281028 (E_RNA)
where:
Base-Base interactions energy: -99.936
where: short stacking energy: -35.267
Base-Backbone interact. energy: -0.051
local terms energy: -47.294203
where:
bonds (distance) C4'-P energy: -7.469
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -11.687
flat angles P-C4'-P energy: -4.750
tors. eta vs tors. theta energy: -9.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -131.702293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.702293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.702293 (E_RNA)
where:
Base-Base interactions energy: -82.278
where: short stacking energy: -29.948
Base-Backbone interact. energy: 0.199
local terms energy: -49.622851
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -5.748
tors. eta vs tors. theta energy: -6.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -110.447784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.447784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.447784 (E_RNA)
where:
Base-Base interactions energy: -70.052
where: short stacking energy: -22.244
Base-Backbone interact. energy: -0.384
local terms energy: -40.012573
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -6.573
flat angles C4'-P-C4' energy: -9.719
flat angles P-C4'-P energy: -6.176
tors. eta vs tors. theta energy: -5.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -69.333400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.333400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.333400 (E_RNA)
where:
Base-Base interactions energy: -31.221
where: short stacking energy: -20.049
Base-Backbone interact. energy: -0.293
local terms energy: -37.819400
where:
bonds (distance) C4'-P energy: -8.064
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -10.971
flat angles P-C4'-P energy: -6.377
tors. eta vs tors. theta energy: -0.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -66.197729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.197729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.197729 (E_RNA)
where:
Base-Base interactions energy: -26.891
where: short stacking energy: -20.037
Base-Backbone interact. energy: 0.350
local terms energy: -39.656743
where:
bonds (distance) C4'-P energy: -9.816
bonds (distance) P-C4' energy: -12.202
flat angles C4'-P-C4' energy: -10.364
flat angles P-C4'-P energy: -8.999
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: 8, replica: 8
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -55.229356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.229356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.229356 (E_RNA)
where:
Base-Base interactions energy: -17.690
where: short stacking energy: -16.052
Base-Backbone interact. energy: -0.005
local terms energy: -37.533886
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -10.234
flat angles C4'-P-C4' energy: -9.619
flat angles P-C4'-P energy: -2.930
tors. eta vs tors. theta energy: -2.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -67.021068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.021068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.021068 (E_RNA)
where:
Base-Base interactions energy: -26.151
where: short stacking energy: -14.803
Base-Backbone interact. energy: 2.306
local terms energy: -43.176190
where:
bonds (distance) C4'-P energy: -9.601
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -8.116
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -3.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -67.352912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.352912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.352912 (E_RNA)
where:
Base-Base interactions energy: -29.261
where: short stacking energy: -9.454
Base-Backbone interact. energy: 0.223
local terms energy: -38.315023
where:
bonds (distance) C4'-P energy: -8.848
bonds (distance) P-C4' energy: -12.061
flat angles C4'-P-C4' energy: -8.390
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -1.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -155.051008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.051008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.051008 (E_RNA)
where:
Base-Base interactions energy: -98.821
where: short stacking energy: -36.776
Base-Backbone interact. energy: -0.042
local terms energy: -56.187782
where:
bonds (distance) C4'-P energy: -7.886
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -10.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -149.580100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.580100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.580100 (E_RNA)
where:
Base-Base interactions energy: -90.096
where: short stacking energy: -43.742
Base-Backbone interact. energy: -0.095
local terms energy: -59.389128
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -11.847
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -12.329
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: 452
Temperature: 1.000000
Total energy: -155.578225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.578225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.578225 (E_RNA)
where:
Base-Base interactions energy: -105.689
where: short stacking energy: -28.498
Base-Backbone interact. energy: -0.236
local terms energy: -49.653184
where:
bonds (distance) C4'-P energy: -10.172
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -10.349
flat angles P-C4'-P energy: -5.259
tors. eta vs tors. theta energy: -9.671
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: 10
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -137.937705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.937705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.937705 (E_RNA)
where:
Base-Base interactions energy: -94.112
where: short stacking energy: -35.327
Base-Backbone interact. energy: -0.110
local terms energy: -43.716461
where:
bonds (distance) C4'-P energy: -12.333
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -9.052
flat angles P-C4'-P energy: -3.764
tors. eta vs tors. theta energy: -6.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -74.207244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.207244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.207244 (E_RNA)
where:
Base-Base interactions energy: -26.354
where: short stacking energy: -20.289
Base-Backbone interact. energy: -0.066
local terms energy: -47.787647
where:
bonds (distance) C4'-P energy: -7.838
bonds (distance) P-C4' energy: -11.306
flat angles C4'-P-C4' energy: -11.622
flat angles P-C4'-P energy: -9.170
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: 6, replica: 7
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -71.196635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.196635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.196635 (E_RNA)
where:
Base-Base interactions energy: -22.372
where: short stacking energy: -16.070
Base-Backbone interact. energy: -0.199
local terms energy: -48.625691
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -12.601
flat angles C4'-P-C4' energy: -11.689
flat angles P-C4'-P energy: -6.959
tors. eta vs tors. theta energy: -3.839
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: 8
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -64.032829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.032829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.032829 (E_RNA)
where:
Base-Base interactions energy: -21.901
where: short stacking energy: -19.956
Base-Backbone interact. energy: -0.057
local terms energy: -42.074932
where:
bonds (distance) C4'-P energy: -3.826
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -10.777
flat angles P-C4'-P energy: -7.114
tors. eta vs tors. theta energy: -8.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -65.661937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.661937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.661937 (E_RNA)
where:
Base-Base interactions energy: -20.194
where: short stacking energy: -19.080
Base-Backbone interact. energy: -0.100
local terms energy: -45.367887
where:
bonds (distance) C4'-P energy: -12.064
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -9.415
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -2.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -64.088822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.088822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.088822 (E_RNA)
where:
Base-Base interactions energy: -20.098
where: short stacking energy: -12.901
Base-Backbone interact. energy: -0.147
local terms energy: -43.843509
where:
bonds (distance) C4'-P energy: -13.049
bonds (distance) P-C4' energy: -12.124
flat angles C4'-P-C4' energy: -10.068
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -0.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -51.755419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.755419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.755419 (E_RNA)
where:
Base-Base interactions energy: -12.386
where: short stacking energy: -5.271
Base-Backbone interact. energy: -0.329
local terms energy: -39.040431
where:
bonds (distance) C4'-P energy: -11.480
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -11.205
flat angles P-C4'-P energy: -6.173
tors. eta vs tors. theta energy: 1.779
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: 1, replica: 5
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -158.481289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.481289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.481289 (E_RNA)
where:
Base-Base interactions energy: -106.095
where: short stacking energy: -33.330
Base-Backbone interact. energy: -0.038
local terms energy: -52.347776
where:
bonds (distance) C4'-P energy: -11.194
bonds (distance) P-C4' energy: -9.985
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -6.866
tors. eta vs tors. theta energy: -10.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -144.545611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.545611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.545611 (E_RNA)
where:
Base-Base interactions energy: -89.422
where: short stacking energy: -40.554
Base-Backbone interact. energy: -0.044
local terms energy: -55.079381
where:
bonds (distance) C4'-P energy: -8.995
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -6.762
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: 3, replica: 2
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -135.717606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.717606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.717606 (E_RNA)
where:
Base-Base interactions energy: -86.610
where: short stacking energy: -33.667
Base-Backbone interact. energy: -0.102
local terms energy: -49.005365
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -11.370
flat angles C4'-P-C4' energy: -11.150
flat angles P-C4'-P energy: -2.929
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: 4, replica: 10
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -151.111833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.111833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.111833 (E_RNA)
where:
Base-Base interactions energy: -97.340
where: short stacking energy: -34.665
Base-Backbone interact. energy: -1.150
local terms energy: -52.621724
where:
bonds (distance) C4'-P energy: -10.395
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -11.305
flat angles P-C4'-P energy: -6.381
tors. eta vs tors. theta energy: -11.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -88.506469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.506469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.506469 (E_RNA)
where:
Base-Base interactions energy: -51.051
where: short stacking energy: -21.714
Base-Backbone interact. energy: -0.211
local terms energy: -37.245016
where:
bonds (distance) C4'-P energy: -11.256
bonds (distance) P-C4' energy: -11.242
flat angles C4'-P-C4' energy: -10.430
flat angles P-C4'-P energy: -2.473
tors. eta vs tors. theta energy: -1.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -70.448661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.448661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.448661 (E_RNA)
where:
Base-Base interactions energy: -29.474
where: short stacking energy: -21.732
Base-Backbone interact. energy: -0.002
local terms energy: -40.972430
where:
bonds (distance) C4'-P energy: -10.535
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -8.372
flat angles P-C4'-P energy: -6.442
tors. eta vs tors. theta energy: -2.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -82.376192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.376192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.376192 (E_RNA)
where:
Base-Base interactions energy: -43.044
where: short stacking energy: -13.299
Base-Backbone interact. energy: -0.229
local terms energy: -39.102977
where:
bonds (distance) C4'-P energy: -11.266
bonds (distance) P-C4' energy: -9.755
flat angles C4'-P-C4' energy: -11.780
flat angles P-C4'-P energy: -5.446
tors. eta vs tors. theta energy: -0.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -68.409303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.409303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.409303 (E_RNA)
where:
Base-Base interactions energy: -28.336
where: short stacking energy: -19.100
Base-Backbone interact. energy: -0.680
local terms energy: -39.392749
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -8.691
flat angles C4'-P-C4' energy: -8.506
flat angles P-C4'-P energy: -5.908
tors. eta vs tors. theta energy: -4.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -53.862300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.862300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.862300 (E_RNA)
where:
Base-Base interactions energy: -19.333
where: short stacking energy: -7.789
Base-Backbone interact. energy: 0.154
local terms energy: -34.682774
where:
bonds (distance) C4'-P energy: -8.860
bonds (distance) P-C4' energy: -12.593
flat angles C4'-P-C4' energy: -10.144
flat angles P-C4'-P energy: -7.488
tors. eta vs tors. theta energy: 4.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -65.898257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.898257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.898257 (E_RNA)
where:
Base-Base interactions energy: -31.417
where: short stacking energy: -23.060
Base-Backbone interact. energy: -0.099
local terms energy: -34.381571
where:
bonds (distance) C4'-P energy: -10.457
bonds (distance) P-C4' energy: -11.249
flat angles C4'-P-C4' energy: -8.089
flat angles P-C4'-P energy: 0.954
tors. eta vs tors. theta energy: -5.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -152.723826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.723826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.723826 (E_RNA)
where:
Base-Base interactions energy: -99.888
where: short stacking energy: -36.697
Base-Backbone interact. energy: -0.026
local terms energy: -52.809038
where:
bonds (distance) C4'-P energy: -8.222
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -13.319
flat angles P-C4'-P energy: -8.616
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: 2, replica: 5
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -152.588131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.588131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.588131 (E_RNA)
where:
Base-Base interactions energy: -98.777
where: short stacking energy: -34.997
Base-Backbone interact. energy: 0.049
local terms energy: -53.859934
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -11.094
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -7.919
tors. eta vs tors. theta energy: -11.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -143.986039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.986039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.986039 (E_RNA)
where:
Base-Base interactions energy: -94.208
where: short stacking energy: -36.019
Base-Backbone interact. energy: -0.003
local terms energy: -49.775148
where:
bonds (distance) C4'-P energy: -11.773
bonds (distance) P-C4' energy: -9.446
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -3.099
tors. eta vs tors. theta energy: -11.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -143.361307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.361307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.361307 (E_RNA)
where:
Base-Base interactions energy: -89.788
where: short stacking energy: -33.873
Base-Backbone interact. energy: -0.075
local terms energy: -53.498780
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -10.280
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: -9.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -72.866193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.866193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.866193 (E_RNA)
where:
Base-Base interactions energy: -32.775
where: short stacking energy: -19.993
Base-Backbone interact. energy: 0.062
local terms energy: -40.152521
where:
bonds (distance) C4'-P energy: -10.652
bonds (distance) P-C4' energy: -13.466
flat angles C4'-P-C4' energy: -11.756
flat angles P-C4'-P energy: -4.753
tors. eta vs tors. theta energy: 0.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -84.152607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.152607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.152607 (E_RNA)
where:
Base-Base interactions energy: -47.145
where: short stacking energy: -16.554
Base-Backbone interact. energy: -0.001
local terms energy: -37.006266
where:
bonds (distance) C4'-P energy: -8.071
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -10.527
flat angles P-C4'-P energy: -2.231
tors. eta vs tors. theta energy: -4.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -78.552836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.552836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.552836 (E_RNA)
where:
Base-Base interactions energy: -42.790
where: short stacking energy: -18.048
Base-Backbone interact. energy: -0.264
local terms energy: -35.498726
where:
bonds (distance) C4'-P energy: -9.780
bonds (distance) P-C4' energy: -12.367
flat angles C4'-P-C4' energy: -6.014
flat angles P-C4'-P energy: -5.500
tors. eta vs tors. theta energy: -1.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -66.438961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.438961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.438961 (E_RNA)
where:
Base-Base interactions energy: -25.486
where: short stacking energy: -13.981
Base-Backbone interact. energy: -0.004
local terms energy: -40.949166
where:
bonds (distance) C4'-P energy: -11.273
bonds (distance) P-C4' energy: -11.865
flat angles C4'-P-C4' energy: -10.103
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: 0.061
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: 3
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -54.181902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.181902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.181902 (E_RNA)
where:
Base-Base interactions energy: -19.150
where: short stacking energy: -16.215
Base-Backbone interact. energy: -0.503
local terms energy: -34.529334
where:
bonds (distance) C4'-P energy: -7.829
bonds (distance) P-C4' energy: -10.134
flat angles C4'-P-C4' energy: -10.105
flat angles P-C4'-P energy: -5.573
tors. eta vs tors. theta energy: -0.887
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: 10, replica: 9
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -56.417785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.417785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.417785 (E_RNA)
where:
Base-Base interactions energy: -14.263
where: short stacking energy: -14.263
Base-Backbone interact. energy: 0.182
local terms energy: -42.337045
where:
bonds (distance) C4'-P energy: -9.194
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -10.910
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -1.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -145.666401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.666401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.666401 (E_RNA)
where:
Base-Base interactions energy: -95.558
where: short stacking energy: -37.325
Base-Backbone interact. energy: 0.645
local terms energy: -50.754220
where:
bonds (distance) C4'-P energy: -11.061
bonds (distance) P-C4' energy: -10.358
flat angles C4'-P-C4' energy: -10.427
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -9.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -144.007030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.007030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.007030 (E_RNA)
where:
Base-Base interactions energy: -89.945
where: short stacking energy: -38.406
Base-Backbone interact. energy: -0.000
local terms energy: -54.061710
where:
bonds (distance) C4'-P energy: -9.119
bonds (distance) P-C4' energy: -10.902
flat angles C4'-P-C4' energy: -12.304
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: -13.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -152.687467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.687467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.687467 (E_RNA)
where:
Base-Base interactions energy: -104.845
where: short stacking energy: -47.301
Base-Backbone interact. energy: 0.164
local terms energy: -48.006569
where:
bonds (distance) C4'-P energy: -6.029
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -9.925
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: -12.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -135.172895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.172895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.172895 (E_RNA)
where:
Base-Base interactions energy: -80.574
where: short stacking energy: -36.591
Base-Backbone interact. energy: -0.096
local terms energy: -54.503273
where:
bonds (distance) C4'-P energy: -10.674
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -3.247
tors. eta vs tors. theta energy: -13.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -83.169313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.169313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.169313 (E_RNA)
where:
Base-Base interactions energy: -33.549
where: short stacking energy: -22.089
Base-Backbone interact. energy: -0.080
local terms energy: -49.539774
where:
bonds (distance) C4'-P energy: -11.103
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -8.388
flat angles P-C4'-P energy: -9.850
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: 6, replica: 6
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -107.951792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.951792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.951792 (E_RNA)
where:
Base-Base interactions energy: -67.027
where: short stacking energy: -21.545
Base-Backbone interact. energy: -1.243
local terms energy: -39.682007
where:
bonds (distance) C4'-P energy: -9.187
bonds (distance) P-C4' energy: -8.299
flat angles C4'-P-C4' energy: -11.520
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: -3.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -61.686750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.686750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.686750 (E_RNA)
where:
Base-Base interactions energy: -28.593
where: short stacking energy: -8.596
Base-Backbone interact. energy: -1.280
local terms energy: -31.813812
where:
bonds (distance) C4'-P energy: -9.199
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -8.860
flat angles P-C4'-P energy: -3.934
tors. eta vs tors. theta energy: 3.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -65.756893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.756893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.756893 (E_RNA)
where:
Base-Base interactions energy: -23.296
where: short stacking energy: -21.434
Base-Backbone interact. energy: -0.103
local terms energy: -42.357547
where:
bonds (distance) C4'-P energy: -11.195
bonds (distance) P-C4' energy: -10.698
flat angles C4'-P-C4' energy: -9.442
flat angles P-C4'-P energy: -5.264
tors. eta vs tors. theta energy: -5.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -60.429557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.429557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.429557 (E_RNA)
where:
Base-Base interactions energy: -22.936
where: short stacking energy: -17.366
Base-Backbone interact. energy: -0.014
local terms energy: -37.479254
where:
bonds (distance) C4'-P energy: -8.644
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -6.243
flat angles P-C4'-P energy: -5.588
tors. eta vs tors. theta energy: -2.819
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: 9
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -53.989366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.989366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.989366 (E_RNA)
where:
Base-Base interactions energy: -18.548
where: short stacking energy: -18.548
Base-Backbone interact. energy: -0.110
local terms energy: -35.330939
where:
bonds (distance) C4'-P energy: -7.195
bonds (distance) P-C4' energy: -9.446
flat angles C4'-P-C4' energy: -9.222
flat angles P-C4'-P energy: -5.426
tors. eta vs tors. theta energy: -4.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -143.241615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.241615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.241615 (E_RNA)
where:
Base-Base interactions energy: -94.136
where: short stacking energy: -36.809
Base-Backbone interact. energy: -0.187
local terms energy: -48.917890
where:
bonds (distance) C4'-P energy: -13.260
bonds (distance) P-C4' energy: -11.409
flat angles C4'-P-C4' energy: -9.743
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -6.969
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: 10
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -146.517503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.517503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.517503 (E_RNA)
where:
Base-Base interactions energy: -102.597
where: short stacking energy: -33.249
Base-Backbone interact. energy: -0.056
local terms energy: -43.864451
where:
bonds (distance) C4'-P energy: -10.080
bonds (distance) P-C4' energy: -9.049
flat angles C4'-P-C4' energy: -10.569
flat angles P-C4'-P energy: -4.192
tors. eta vs tors. theta energy: -9.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -145.784065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.784065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.784065 (E_RNA)
where:
Base-Base interactions energy: -95.166
where: short stacking energy: -29.906
Base-Backbone interact. energy: -0.025
local terms energy: -50.593531
where:
bonds (distance) C4'-P energy: -11.887
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -9.173
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -9.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -145.598089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.598089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.598089 (E_RNA)
where:
Base-Base interactions energy: -91.931
where: short stacking energy: -42.046
Base-Backbone interact. energy: -0.010
local terms energy: -53.657354
where:
bonds (distance) C4'-P energy: -11.335
bonds (distance) P-C4' energy: -10.339
flat angles C4'-P-C4' energy: -10.387
flat angles P-C4'-P energy: -7.322
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: 5, replica: 6
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -78.914161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.914161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.914161 (E_RNA)
where:
Base-Base interactions energy: -31.138
where: short stacking energy: -20.680
Base-Backbone interact. energy: 0.340
local terms energy: -48.116573
where:
bonds (distance) C4'-P energy: -12.063
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -9.962
flat angles P-C4'-P energy: -6.813
tors. eta vs tors. theta energy: -5.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -81.686263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.686263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.686263 (E_RNA)
where:
Base-Base interactions energy: -40.567
where: short stacking energy: -19.570
Base-Backbone interact. energy: -0.197
local terms energy: -40.922067
where:
bonds (distance) C4'-P energy: -11.887
bonds (distance) P-C4' energy: -9.097
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -5.458
tors. eta vs tors. theta energy: -2.989
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: 3
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -74.825984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.825984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.825984 (E_RNA)
where:
Base-Base interactions energy: -27.467
where: short stacking energy: -27.467
Base-Backbone interact. energy: -0.245
local terms energy: -47.113568
where:
bonds (distance) C4'-P energy: -12.097
bonds (distance) P-C4' energy: -10.856
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -5.804
tors. eta vs tors. theta energy: -4.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -61.603002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.603002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.603002 (E_RNA)
where:
Base-Base interactions energy: -29.546
where: short stacking energy: -15.975
Base-Backbone interact. energy: -0.189
local terms energy: -31.867656
where:
bonds (distance) C4'-P energy: -10.962
bonds (distance) P-C4' energy: -6.871
flat angles C4'-P-C4' energy: -11.524
flat angles P-C4'-P energy: -1.276
tors. eta vs tors. theta energy: -1.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -58.704956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.704956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.704956 (E_RNA)
where:
Base-Base interactions energy: -22.980
where: short stacking energy: -22.980
Base-Backbone interact. energy: -0.067
local terms energy: -35.658640
where:
bonds (distance) C4'-P energy: -8.719
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -6.661
flat angles P-C4'-P energy: -2.232
tors. eta vs tors. theta energy: -4.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -60.892338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.892338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.892338 (E_RNA)
where:
Base-Base interactions energy: -26.677
where: short stacking energy: -18.766
Base-Backbone interact. energy: -0.350
local terms energy: -33.865484
where:
bonds (distance) C4'-P energy: -9.469
bonds (distance) P-C4' energy: -7.818
flat angles C4'-P-C4' energy: -6.657
flat angles P-C4'-P energy: -5.379
tors. eta vs tors. theta energy: -4.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -144.177197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.177197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.177197 (E_RNA)
where:
Base-Base interactions energy: -86.231
where: short stacking energy: -36.918
Base-Backbone interact. energy: -0.110
local terms energy: -57.836801
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -13.017
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -7.437
tors. eta vs tors. theta energy: -14.062
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: 2, replica: 5
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -139.322086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.322086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.322086 (E_RNA)
where:
Base-Base interactions energy: -79.535
where: short stacking energy: -35.442
Base-Backbone interact. energy: 0.360
local terms energy: -60.147449
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -13.562
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -11.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -136.584325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.584325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.584325 (E_RNA)
where:
Base-Base interactions energy: -102.436
where: short stacking energy: -24.268
Base-Backbone interact. energy: -0.143
local terms energy: -34.005997
where:
bonds (distance) C4'-P energy: -7.178
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -1.465
flat angles P-C4'-P energy: -6.956
tors. eta vs tors. theta energy: -5.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -142.464720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.464720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.464720 (E_RNA)
where:
Base-Base interactions energy: -98.553
where: short stacking energy: -34.575
Base-Backbone interact. energy: -0.109
local terms energy: -43.803374
where:
bonds (distance) C4'-P energy: -7.891
bonds (distance) P-C4' energy: -11.844
flat angles C4'-P-C4' energy: -11.438
flat angles P-C4'-P energy: -6.170
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: 5, replica: 6
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -70.879033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.879033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.879033 (E_RNA)
where:
Base-Base interactions energy: -28.201
where: short stacking energy: -24.650
Base-Backbone interact. energy: -0.256
local terms energy: -42.421923
where:
bonds (distance) C4'-P energy: -10.901
bonds (distance) P-C4' energy: -12.882
flat angles C4'-P-C4' energy: -9.593
flat angles P-C4'-P energy: -5.508
tors. eta vs tors. theta energy: -3.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -74.163687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.163687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.163687 (E_RNA)
where:
Base-Base interactions energy: -28.316
where: short stacking energy: -28.167
Base-Backbone interact. energy: -0.055
local terms energy: -45.792165
where:
bonds (distance) C4'-P energy: -9.961
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -12.147
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -3.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -85.633270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.633270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.633270 (E_RNA)
where:
Base-Base interactions energy: -44.150
where: short stacking energy: -18.355
Base-Backbone interact. energy: -0.055
local terms energy: -41.427742
where:
bonds (distance) C4'-P energy: -6.594
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -9.204
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -4.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -75.631512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.631512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.631512 (E_RNA)
where:
Base-Base interactions energy: -39.116
where: short stacking energy: -11.569
Base-Backbone interact. energy: -0.010
local terms energy: -36.506180
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -6.411
flat angles C4'-P-C4' energy: -9.192
flat angles P-C4'-P energy: -5.891
tors. eta vs tors. theta energy: -3.490
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: 1
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -66.635495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.635495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.635495 (E_RNA)
where:
Base-Base interactions energy: -24.829
where: short stacking energy: -17.432
Base-Backbone interact. energy: -0.550
local terms energy: -41.256436
where:
bonds (distance) C4'-P energy: -12.987
bonds (distance) P-C4' energy: -6.574
flat angles C4'-P-C4' energy: -9.217
flat angles P-C4'-P energy: -9.010
tors. eta vs tors. theta energy: -3.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -63.603129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.603129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.603129 (E_RNA)
where:
Base-Base interactions energy: -22.142
where: short stacking energy: -22.142
Base-Backbone interact. energy: -0.105
local terms energy: -41.356909
where:
bonds (distance) C4'-P energy: -10.254
bonds (distance) P-C4' energy: -13.442
flat angles C4'-P-C4' energy: -11.301
flat angles P-C4'-P energy: -5.776
tors. eta vs tors. theta energy: -0.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -155.118161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.118161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.118161 (E_RNA)
where:
Base-Base interactions energy: -99.748
where: short stacking energy: -44.556
Base-Backbone interact. energy: -0.003
local terms energy: -55.366640
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -3.653
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: 2, replica: 4
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -138.198011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.198011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.198011 (E_RNA)
where:
Base-Base interactions energy: -89.060
where: short stacking energy: -38.683
Base-Backbone interact. energy: -0.016
local terms energy: -49.122517
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -6.958
flat angles C4'-P-C4' energy: -9.773
flat angles P-C4'-P energy: -7.629
tors. eta vs tors. theta energy: -11.348
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: 10
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -144.529001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.529001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.529001 (E_RNA)
where:
Base-Base interactions energy: -93.476
where: short stacking energy: -33.968
Base-Backbone interact. energy: -0.009
local terms energy: -51.043868
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -10.654
flat angles C4'-P-C4' energy: -8.445
flat angles P-C4'-P energy: -8.350
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: 4, replica: 2
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -150.070595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.070595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.070595 (E_RNA)
where:
Base-Base interactions energy: -92.119
where: short stacking energy: -28.438
Base-Backbone interact. energy: -0.167
local terms energy: -57.784546
where:
bonds (distance) C4'-P energy: -13.807
bonds (distance) P-C4' energy: -11.281
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -10.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -71.032906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.032906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.032906 (E_RNA)
where:
Base-Base interactions energy: -27.592
where: short stacking energy: -16.828
Base-Backbone interact. energy: -0.023
local terms energy: -43.418474
where:
bonds (distance) C4'-P energy: -11.480
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -7.824
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -0.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -65.926312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.926312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.926312 (E_RNA)
where:
Base-Base interactions energy: -28.235
where: short stacking energy: -27.980
Base-Backbone interact. energy: -0.182
local terms energy: -37.509541
where:
bonds (distance) C4'-P energy: -8.023
bonds (distance) P-C4' energy: -9.501
flat angles C4'-P-C4' energy: -8.952
flat angles P-C4'-P energy: -6.697
tors. eta vs tors. theta energy: -4.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -83.300572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.300572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.300572 (E_RNA)
where:
Base-Base interactions energy: -36.639
where: short stacking energy: -16.922
Base-Backbone interact. energy: -0.398
local terms energy: -46.262624
where:
bonds (distance) C4'-P energy: -11.104
bonds (distance) P-C4' energy: -10.669
flat angles C4'-P-C4' energy: -10.275
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -4.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -69.522288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.522288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.522288 (E_RNA)
where:
Base-Base interactions energy: -34.744
where: short stacking energy: -14.380
Base-Backbone interact. energy: -0.935
local terms energy: -33.843276
where:
bonds (distance) C4'-P energy: -5.489
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -11.215
flat angles P-C4'-P energy: -5.314
tors. eta vs tors. theta energy: 0.608
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: 9
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -58.998112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.998112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.998112 (E_RNA)
where:
Base-Base interactions energy: -25.748
where: short stacking energy: -16.279
Base-Backbone interact. energy: 2.015
local terms energy: -35.265199
where:
bonds (distance) C4'-P energy: -8.673
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -5.361
flat angles P-C4'-P energy: -7.406
tors. eta vs tors. theta energy: -0.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -68.297140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.297140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.297140 (E_RNA)
where:
Base-Base interactions energy: -21.038
where: short stacking energy: -21.038
Base-Backbone interact. energy: -0.043
local terms energy: -47.215498
where:
bonds (distance) C4'-P energy: -9.269
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -9.824
flat angles P-C4'-P energy: -8.689
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: 5
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -137.954784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.954784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.954784 (E_RNA)
where:
Base-Base interactions energy: -86.675
where: short stacking energy: -35.474
Base-Backbone interact. energy: -0.006
local terms energy: -51.274141
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -10.563
flat angles P-C4'-P energy: -6.943
tors. eta vs tors. theta energy: -9.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -149.009666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.009666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.009666 (E_RNA)
where:
Base-Base interactions energy: -97.620
where: short stacking energy: -36.386
Base-Backbone interact. energy: -0.434
local terms energy: -50.955585
where:
bonds (distance) C4'-P energy: -8.623
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -10.702
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -8.426
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: 4
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -145.697874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.697874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.697874 (E_RNA)
where:
Base-Base interactions energy: -90.224
where: short stacking energy: -42.707
Base-Backbone interact. energy: -0.085
local terms energy: -55.389516
where:
bonds (distance) C4'-P energy: -6.869
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -11.685
flat angles P-C4'-P energy: -7.035
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: 4, replica: 2
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -133.652549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.652549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.652549 (E_RNA)
where:
Base-Base interactions energy: -83.377
where: short stacking energy: -37.584
Base-Backbone interact. energy: -0.005
local terms energy: -50.270339
where:
bonds (distance) C4'-P energy: -8.988
bonds (distance) P-C4' energy: -12.102
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -1.890
tors. eta vs tors. theta energy: -14.235
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: 3
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -79.317977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.317977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.317977 (E_RNA)
where:
Base-Base interactions energy: -37.965
where: short stacking energy: -27.919
Base-Backbone interact. energy: -0.026
local terms energy: -41.326730
where:
bonds (distance) C4'-P energy: -11.253
bonds (distance) P-C4' energy: -10.054
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -4.132
tors. eta vs tors. theta energy: -3.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -79.220203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.220203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.220203 (E_RNA)
where:
Base-Base interactions energy: -36.276
where: short stacking energy: -16.245
Base-Backbone interact. energy: -0.974
local terms energy: -41.970348
where:
bonds (distance) C4'-P energy: -8.868
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -10.232
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -1.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -66.027719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.027719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.027719 (E_RNA)
where:
Base-Base interactions energy: -36.115
where: short stacking energy: -14.548
Base-Backbone interact. energy: -0.223
local terms energy: -29.689219
where:
bonds (distance) C4'-P energy: -8.387
bonds (distance) P-C4' energy: -6.808
flat angles C4'-P-C4' energy: -11.999
flat angles P-C4'-P energy: -5.143
tors. eta vs tors. theta energy: 2.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -63.567256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.567256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.567256 (E_RNA)
where:
Base-Base interactions energy: -17.034
where: short stacking energy: -12.015
Base-Backbone interact. energy: -0.173
local terms energy: -46.360486
where:
bonds (distance) C4'-P energy: -12.875
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -10.919
flat angles P-C4'-P energy: -5.919
tors. eta vs tors. theta energy: -2.914
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: 9
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -57.867084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.867084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.867084 (E_RNA)
where:
Base-Base interactions energy: -19.460
where: short stacking energy: -19.460
Base-Backbone interact. energy: 0.269
local terms energy: -38.676142
where:
bonds (distance) C4'-P energy: -9.915
bonds (distance) P-C4' energy: -7.917
flat angles C4'-P-C4' energy: -10.065
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -2.140
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: 1
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -65.620343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.620343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.620343 (E_RNA)
where:
Base-Base interactions energy: -22.479
where: short stacking energy: -21.432
Base-Backbone interact. energy: -0.054
local terms energy: -43.086615
where:
bonds (distance) C4'-P energy: -10.019
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -10.522
flat angles P-C4'-P energy: -2.683
tors. eta vs tors. theta energy: -5.848
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: 10
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -145.144069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.144069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.144069 (E_RNA)
where:
Base-Base interactions energy: -104.482
where: short stacking energy: -34.202
Base-Backbone interact. energy: -0.190
local terms energy: -40.472490
where:
bonds (distance) C4'-P energy: -12.056
bonds (distance) P-C4' energy: -9.744
flat angles C4'-P-C4' energy: -9.078
flat angles P-C4'-P energy: -3.572
tors. eta vs tors. theta energy: -6.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -158.565165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.565165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.565165 (E_RNA)
where:
Base-Base interactions energy: -110.363
where: short stacking energy: -44.184
Base-Backbone interact. energy: -0.026
local terms energy: -48.176050
where:
bonds (distance) C4'-P energy: -8.631
bonds (distance) P-C4' energy: -9.798
flat angles C4'-P-C4' energy: -10.215
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -10.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -143.751027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.751027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.751027 (E_RNA)
where:
Base-Base interactions energy: -96.520
where: short stacking energy: -40.157
Base-Backbone interact. energy: -0.083
local terms energy: -47.148041
where:
bonds (distance) C4'-P energy: -8.714
bonds (distance) P-C4' energy: -8.362
flat angles C4'-P-C4' energy: -12.537
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: -9.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -146.262430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.262430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.262430 (E_RNA)
where:
Base-Base interactions energy: -93.863
where: short stacking energy: -35.067
Base-Backbone interact. energy: -0.093
local terms energy: -52.306693
where:
bonds (distance) C4'-P energy: -11.331
bonds (distance) P-C4' energy: -8.311
flat angles C4'-P-C4' energy: -11.714
flat angles P-C4'-P energy: -6.945
tors. eta vs tors. theta energy: -14.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -80.792236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.792236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.792236 (E_RNA)
where:
Base-Base interactions energy: -30.335
where: short stacking energy: -30.335
Base-Backbone interact. energy: -0.051
local terms energy: -50.406869
where:
bonds (distance) C4'-P energy: -11.820
bonds (distance) P-C4' energy: -8.799
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -7.607
tors. eta vs tors. theta energy: -9.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -80.744509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.744509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.744509 (E_RNA)
where:
Base-Base interactions energy: -38.833
where: short stacking energy: -16.729
Base-Backbone interact. energy: -0.027
local terms energy: -41.884820
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -10.247
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: 2.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -77.345838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.345838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.345838 (E_RNA)
where:
Base-Base interactions energy: -26.109
where: short stacking energy: -25.909
Base-Backbone interact. energy: -0.049
local terms energy: -51.188347
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -6.153
tors. eta vs tors. theta energy: -8.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -77.563263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.563263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.563263 (E_RNA)
where:
Base-Base interactions energy: -41.204
where: short stacking energy: -15.975
Base-Backbone interact. energy: 0.666
local terms energy: -37.025477
where:
bonds (distance) C4'-P energy: -10.209
bonds (distance) P-C4' energy: -5.765
flat angles C4'-P-C4' energy: -8.726
flat angles P-C4'-P energy: -8.682
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: 9, replica: 1
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -73.824538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.824538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.824538 (E_RNA)
where:
Base-Base interactions energy: -27.180
where: short stacking energy: -25.790
Base-Backbone interact. energy: -0.095
local terms energy: -46.549338
where:
bonds (distance) C4'-P energy: -9.860
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -9.492
flat angles P-C4'-P energy: -6.690
tors. eta vs tors. theta energy: -7.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -68.204989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.204989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.204989 (E_RNA)
where:
Base-Base interactions energy: -28.626
where: short stacking energy: -22.210
Base-Backbone interact. energy: -0.147
local terms energy: -39.431770
where:
bonds (distance) C4'-P energy: -10.074
bonds (distance) P-C4' energy: -9.944
flat angles C4'-P-C4' energy: -11.654
flat angles P-C4'-P energy: -5.972
tors. eta vs tors. theta energy: -1.788
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: 10
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -149.602901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.602901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.602901 (E_RNA)
where:
Base-Base interactions energy: -95.665
where: short stacking energy: -38.062
Base-Backbone interact. energy: 0.112
local terms energy: -54.049094
where:
bonds (distance) C4'-P energy: -10.858
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -10.643
flat angles P-C4'-P energy: -5.182
tors. eta vs tors. theta energy: -14.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -153.215723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.215723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.215723 (E_RNA)
where:
Base-Base interactions energy: -102.151
where: short stacking energy: -34.355
Base-Backbone interact. energy: 0.074
local terms energy: -51.139189
where:
bonds (distance) C4'-P energy: -11.340
bonds (distance) P-C4' energy: -10.344
flat angles C4'-P-C4' energy: -11.518
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -8.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -150.368296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.368296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.368296 (E_RNA)
where:
Base-Base interactions energy: -95.880
where: short stacking energy: -37.694
Base-Backbone interact. energy: 0.184
local terms energy: -54.672111
where:
bonds (distance) C4'-P energy: -12.063
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -8.219
flat angles P-C4'-P energy: -7.705
tors. eta vs tors. theta energy: -12.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -138.476076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.476076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.476076 (E_RNA)
where:
Base-Base interactions energy: -95.433
where: short stacking energy: -29.186
Base-Backbone interact. energy: -0.040
local terms energy: -43.003788
where:
bonds (distance) C4'-P energy: -7.353
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -11.744
flat angles P-C4'-P energy: -4.697
tors. eta vs tors. theta energy: -6.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -72.248140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.248140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.248140 (E_RNA)
where:
Base-Base interactions energy: -28.351
where: short stacking energy: -26.886
Base-Backbone interact. energy: -0.109
local terms energy: -43.788166
where:
bonds (distance) C4'-P energy: -9.353
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -11.743
flat angles P-C4'-P energy: -4.045
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: 6, replica: 7
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -94.031879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.031879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.031879 (E_RNA)
where:
Base-Base interactions energy: -48.101
where: short stacking energy: -24.360
Base-Backbone interact. energy: -0.002
local terms energy: -45.928609
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -12.843
flat angles C4'-P-C4' energy: -10.831
flat angles P-C4'-P energy: -3.472
tors. eta vs tors. theta energy: -6.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -77.408493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.408493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.408493 (E_RNA)
where:
Base-Base interactions energy: -39.812
where: short stacking energy: -13.681
Base-Backbone interact. energy: -0.191
local terms energy: -37.405639
where:
bonds (distance) C4'-P energy: -8.914
bonds (distance) P-C4' energy: -12.384
flat angles C4'-P-C4' energy: -10.185
flat angles P-C4'-P energy: -6.546
tors. eta vs tors. theta energy: 0.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -69.091952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.091952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.091952 (E_RNA)
where:
Base-Base interactions energy: -31.310
where: short stacking energy: -27.279
Base-Backbone interact. energy: -0.020
local terms energy: -37.762223
where:
bonds (distance) C4'-P energy: -11.108
bonds (distance) P-C4' energy: -9.535
flat angles C4'-P-C4' energy: -6.984
flat angles P-C4'-P energy: -4.681
tors. eta vs tors. theta energy: -5.453
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: 6
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -78.515130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.515130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.515130 (E_RNA)
where:
Base-Base interactions energy: -43.249
where: short stacking energy: -19.234
Base-Backbone interact. energy: -0.503
local terms energy: -34.762574
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -6.211
flat angles C4'-P-C4' energy: -5.070
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -1.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -62.582097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.582097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.582097 (E_RNA)
where:
Base-Base interactions energy: -36.179
where: short stacking energy: -13.719
Base-Backbone interact. energy: -0.228
local terms energy: -26.175027
where:
bonds (distance) C4'-P energy: -8.131
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -3.616
flat angles P-C4'-P energy: -6.100
tors. eta vs tors. theta energy: 4.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -153.308018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.308018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.308018 (E_RNA)
where:
Base-Base interactions energy: -99.903
where: short stacking energy: -41.214
Base-Backbone interact. energy: -0.008
local terms energy: -53.397729
where:
bonds (distance) C4'-P energy: -10.387
bonds (distance) P-C4' energy: -11.079
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -4.365
tors. eta vs tors. theta energy: -13.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -153.976482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.976482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.976482 (E_RNA)
where:
Base-Base interactions energy: -103.634
where: short stacking energy: -41.843
Base-Backbone interact. energy: 0.840
local terms energy: -51.182459
where:
bonds (distance) C4'-P energy: -12.006
bonds (distance) P-C4' energy: -10.983
flat angles C4'-P-C4' energy: -10.342
flat angles P-C4'-P energy: -7.403
tors. eta vs tors. theta energy: -10.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -144.890641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.890641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.890641 (E_RNA)
where:
Base-Base interactions energy: -94.691
where: short stacking energy: -29.982
Base-Backbone interact. energy: -0.017
local terms energy: -50.183359
where:
bonds (distance) C4'-P energy: -9.956
bonds (distance) P-C4' energy: -10.559
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -6.717
tors. eta vs tors. theta energy: -9.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -146.265912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.265912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.265912 (E_RNA)
where:
Base-Base interactions energy: -95.055
where: short stacking energy: -42.602
Base-Backbone interact. energy: -0.010
local terms energy: -51.201159
where:
bonds (distance) C4'-P energy: -8.594
bonds (distance) P-C4' energy: -11.384
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -6.269
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: 5, replica: 7
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -112.748994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.748994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.748994 (E_RNA)
where:
Base-Base interactions energy: -63.898
where: short stacking energy: -28.451
Base-Backbone interact. energy: -0.126
local terms energy: -48.725359
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -11.125
flat angles P-C4'-P energy: -6.216
tors. eta vs tors. theta energy: -7.839
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: 3
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -70.082517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.082517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.082517 (E_RNA)
where:
Base-Base interactions energy: -24.821
where: short stacking energy: -22.116
Base-Backbone interact. energy: -0.217
local terms energy: -45.044875
where:
bonds (distance) C4'-P energy: -7.949
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -10.315
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -3.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -62.836469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.836469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.836469 (E_RNA)
where:
Base-Base interactions energy: -15.256
where: short stacking energy: -15.080
Base-Backbone interact. energy: -0.115
local terms energy: -47.465935
where:
bonds (distance) C4'-P energy: -10.217
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -9.991
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -5.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -61.809671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.809671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.809671 (E_RNA)
where:
Base-Base interactions energy: -18.184
where: short stacking energy: -18.184
Base-Backbone interact. energy: -0.257
local terms energy: -43.367676
where:
bonds (distance) C4'-P energy: -10.237
bonds (distance) P-C4' energy: -10.064
flat angles C4'-P-C4' energy: -11.456
flat angles P-C4'-P energy: -9.180
tors. eta vs tors. theta energy: -2.430
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: 9
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -64.639382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.639382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.639382 (E_RNA)
where:
Base-Base interactions energy: -31.875
where: short stacking energy: -16.347
Base-Backbone interact. energy: -1.541
local terms energy: -31.223979
where:
bonds (distance) C4'-P energy: -9.187
bonds (distance) P-C4' energy: -9.985
flat angles C4'-P-C4' energy: -4.086
flat angles P-C4'-P energy: -8.296
tors. eta vs tors. theta energy: 0.330
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: 6
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -54.436284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.436284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.436284 (E_RNA)
where:
Base-Base interactions energy: -21.844
where: short stacking energy: -10.123
Base-Backbone interact. energy: -0.202
local terms energy: -32.389812
where:
bonds (distance) C4'-P energy: -11.310
bonds (distance) P-C4' energy: -10.499
flat angles C4'-P-C4' energy: -5.234
flat angles P-C4'-P energy: -7.196
tors. eta vs tors. theta energy: 1.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -149.568013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.568013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.568013 (E_RNA)
where:
Base-Base interactions energy: -95.728
where: short stacking energy: -38.799
Base-Backbone interact. energy: -0.013
local terms energy: -53.826867
where:
bonds (distance) C4'-P energy: -9.305
bonds (distance) P-C4' energy: -11.782
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -11.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -151.270507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.270507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.270507 (E_RNA)
where:
Base-Base interactions energy: -96.106
where: short stacking energy: -44.857
Base-Backbone interact. energy: -0.001
local terms energy: -55.163539
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -11.107
flat angles C4'-P-C4' energy: -10.649
flat angles P-C4'-P energy: -5.170
tors. eta vs tors. theta energy: -16.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -140.001545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.001545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.001545 (E_RNA)
where:
Base-Base interactions energy: -86.185
where: short stacking energy: -37.318
Base-Backbone interact. energy: -0.614
local terms energy: -53.203017
where:
bonds (distance) C4'-P energy: -13.070
bonds (distance) P-C4' energy: -11.261
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -7.263
tors. eta vs tors. theta energy: -8.752
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: 4, replica: 7
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -133.960908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.960908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.960908 (E_RNA)
where:
Base-Base interactions energy: -85.791
where: short stacking energy: -30.150
Base-Backbone interact. energy: -0.215
local terms energy: -47.954617
where:
bonds (distance) C4'-P energy: -10.407
bonds (distance) P-C4' energy: -11.455
flat angles C4'-P-C4' energy: -10.351
flat angles P-C4'-P energy: -3.296
tors. eta vs tors. theta energy: -12.446
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: 5, replica: 2
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -122.714243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.714243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.714243 (E_RNA)
where:
Base-Base interactions energy: -73.846
where: short stacking energy: -27.163
Base-Backbone interact. energy: 0.304
local terms energy: -49.172484
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -8.264
flat angles P-C4'-P energy: -7.642
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: 1
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -82.354604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.354604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.354604 (E_RNA)
where:
Base-Base interactions energy: -46.180
where: short stacking energy: -16.495
Base-Backbone interact. energy: -0.356
local terms energy: -35.818565
where:
bonds (distance) C4'-P energy: -10.909
bonds (distance) P-C4' energy: -10.857
flat angles C4'-P-C4' energy: -4.336
flat angles P-C4'-P energy: -5.849
tors. eta vs tors. theta energy: -3.868
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: 3
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -79.752082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.752082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.752082 (E_RNA)
where:
Base-Base interactions energy: -40.458
where: short stacking energy: -15.390
Base-Backbone interact. energy: -0.256
local terms energy: -39.038004
where:
bonds (distance) C4'-P energy: -9.312
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -10.262
flat angles P-C4'-P energy: -5.674
tors. eta vs tors. theta energy: -0.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -64.152075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.152075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.152075 (E_RNA)
where:
Base-Base interactions energy: -30.864
where: short stacking energy: -16.868
Base-Backbone interact. energy: -0.087
local terms energy: -33.200761
where:
bonds (distance) C4'-P energy: -10.975
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -6.333
flat angles P-C4'-P energy: -5.101
tors. eta vs tors. theta energy: 1.138
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: 8
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -57.073958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.073958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.073958 (E_RNA)
where:
Base-Base interactions energy: -17.683
where: short stacking energy: -15.435
Base-Backbone interact. energy: -0.258
local terms energy: -39.133097
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -8.707
flat angles C4'-P-C4' energy: -7.539
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: 0.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -53.395635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.395635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.395635 (E_RNA)
where:
Base-Base interactions energy: -15.790
where: short stacking energy: -15.790
Base-Backbone interact. energy: -0.100
local terms energy: -37.506139
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -9.651
flat angles C4'-P-C4' energy: -8.431
flat angles P-C4'-P energy: -5.959
tors. eta vs tors. theta energy: -1.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -158.504818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.504818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.504818 (E_RNA)
where:
Base-Base interactions energy: -109.125
where: short stacking energy: -35.480
Base-Backbone interact. energy: -0.115
local terms energy: -49.265402
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -8.871
flat angles C4'-P-C4' energy: -7.655
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -10.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -149.313678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.313678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.313678 (E_RNA)
where:
Base-Base interactions energy: -98.797
where: short stacking energy: -41.581
Base-Backbone interact. energy: -0.622
local terms energy: -49.894661
where:
bonds (distance) C4'-P energy: -9.224
bonds (distance) P-C4' energy: -12.677
flat angles C4'-P-C4' energy: -10.086
flat angles P-C4'-P energy: -5.056
tors. eta vs tors. theta energy: -12.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -149.712717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.712717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.712717 (E_RNA)
where:
Base-Base interactions energy: -95.736
where: short stacking energy: -32.588
Base-Backbone interact. energy: -0.042
local terms energy: -53.934308
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -8.994
flat angles P-C4'-P energy: -6.557
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: 4, replica: 5
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -152.598478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.598478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.598478 (E_RNA)
where:
Base-Base interactions energy: -97.076
where: short stacking energy: -32.985
Base-Backbone interact. energy: 0.225
local terms energy: -55.747182
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -11.352
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -7.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -121.945551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.945551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.945551 (E_RNA)
where:
Base-Base interactions energy: -73.031
where: short stacking energy: -25.782
Base-Backbone interact. energy: -0.395
local terms energy: -48.519072
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -11.013
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -7.675
tors. eta vs tors. theta energy: -4.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -67.140165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.140165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.140165 (E_RNA)
where:
Base-Base interactions energy: -21.323
where: short stacking energy: -21.323
Base-Backbone interact. energy: -0.132
local terms energy: -45.685343
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -11.116
flat angles C4'-P-C4' energy: -9.654
flat angles P-C4'-P energy: -8.038
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: 7, replica: 9
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -69.154827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.154827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.154827 (E_RNA)
where:
Base-Base interactions energy: -22.872
where: short stacking energy: -17.228
Base-Backbone interact. energy: -0.302
local terms energy: -45.981078
where:
bonds (distance) C4'-P energy: -11.932
bonds (distance) P-C4' energy: -11.314
flat angles C4'-P-C4' energy: -12.599
flat angles P-C4'-P energy: -6.818
tors. eta vs tors. theta energy: -3.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -61.202678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.202678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.202678 (E_RNA)
where:
Base-Base interactions energy: -22.833
where: short stacking energy: -22.833
Base-Backbone interact. energy: -0.106
local terms energy: -38.264102
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -9.963
flat angles C4'-P-C4' energy: -7.920
flat angles P-C4'-P energy: -5.047
tors. eta vs tors. theta energy: -2.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -71.169154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.169154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.169154 (E_RNA)
where:
Base-Base interactions energy: -36.655
where: short stacking energy: -25.283
Base-Backbone interact. energy: -0.054
local terms energy: -34.460453
where:
bonds (distance) C4'-P energy: -5.108
bonds (distance) P-C4' energy: -8.893
flat angles C4'-P-C4' energy: -11.689
flat angles P-C4'-P energy: -4.716
tors. eta vs tors. theta energy: -4.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -53.089018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.089018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.089018 (E_RNA)
where:
Base-Base interactions energy: -21.047
where: short stacking energy: -14.997
Base-Backbone interact. energy: -0.386
local terms energy: -31.655870
where:
bonds (distance) C4'-P energy: -10.751
bonds (distance) P-C4' energy: -12.252
flat angles C4'-P-C4' energy: -7.461
flat angles P-C4'-P energy: -2.089
tors. eta vs tors. theta energy: 0.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -152.190506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.190506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.190506 (E_RNA)
where:
Base-Base interactions energy: -98.667
where: short stacking energy: -36.090
Base-Backbone interact. energy: 0.988
local terms energy: -54.511343
where:
bonds (distance) C4'-P energy: -12.392
bonds (distance) P-C4' energy: -11.679
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -9.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -150.014436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.014436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.014436 (E_RNA)
where:
Base-Base interactions energy: -97.171
where: short stacking energy: -35.356
Base-Backbone interact. energy: -0.198
local terms energy: -52.645654
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -9.321
flat angles P-C4'-P energy: -6.804
tors. eta vs tors. theta energy: -9.755
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: 10
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -147.801703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.801703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.801703 (E_RNA)
where:
Base-Base interactions energy: -97.295
where: short stacking energy: -40.114
Base-Backbone interact. energy: -0.081
local terms energy: -50.426271
where:
bonds (distance) C4'-P energy: -11.642
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -10.963
flat angles P-C4'-P energy: -6.970
tors. eta vs tors. theta energy: -8.270
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: 5
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -141.319005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.319005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.319005 (E_RNA)
where:
Base-Base interactions energy: -86.931
where: short stacking energy: -36.557
Base-Backbone interact. energy: -0.071
local terms energy: -54.316843
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -8.922
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -7.133
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: 5, replica: 2
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -148.863676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.863676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.863676 (E_RNA)
where:
Base-Base interactions energy: -90.794
where: short stacking energy: -35.813
Base-Backbone interact. energy: -0.742
local terms energy: -57.327165
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -11.343
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: 9
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -59.822771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.822771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.822771 (E_RNA)
where:
Base-Base interactions energy: -14.811
where: short stacking energy: -14.384
Base-Backbone interact. energy: -0.089
local terms energy: -44.922981
where:
bonds (distance) C4'-P energy: -11.344
bonds (distance) P-C4' energy: -11.463
flat angles C4'-P-C4' energy: -10.051
flat angles P-C4'-P energy: -5.445
tors. eta vs tors. theta energy: -6.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -61.252285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.252285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.252285 (E_RNA)
where:
Base-Base interactions energy: -22.305
where: short stacking energy: -22.305
Base-Backbone interact. energy: -0.032
local terms energy: -38.914490
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -5.665
flat angles C4'-P-C4' energy: -11.332
flat angles P-C4'-P energy: -4.917
tors. eta vs tors. theta energy: -4.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -68.234422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.234422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.234422 (E_RNA)
where:
Base-Base interactions energy: -34.948
where: short stacking energy: -17.202
Base-Backbone interact. energy: -0.070
local terms energy: -33.216009
where:
bonds (distance) C4'-P energy: -1.433
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -10.892
flat angles P-C4'-P energy: -7.324
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: 9, replica: 3
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -61.476490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.476490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.476490 (E_RNA)
where:
Base-Base interactions energy: -31.211
where: short stacking energy: -18.991
Base-Backbone interact. energy: 1.123
local terms energy: -31.388298
where:
bonds (distance) C4'-P energy: -6.623
bonds (distance) P-C4' energy: -12.064
flat angles C4'-P-C4' energy: -8.680
flat angles P-C4'-P energy: -2.695
tors. eta vs tors. theta energy: -1.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -54.997418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.997418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.997418 (E_RNA)
where:
Base-Base interactions energy: -21.030
where: short stacking energy: -17.437
Base-Backbone interact. energy: -0.130
local terms energy: -33.837382
where:
bonds (distance) C4'-P energy: -10.288
bonds (distance) P-C4' energy: -7.647
flat angles C4'-P-C4' energy: -7.704
flat angles P-C4'-P energy: -6.304
tors. eta vs tors. theta energy: -1.895
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: 1, replica: 4
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -159.886211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.886211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.886211 (E_RNA)
where:
Base-Base interactions energy: -103.457
where: short stacking energy: -41.106
Base-Backbone interact. energy: -0.202
local terms energy: -56.226771
where:
bonds (distance) C4'-P energy: -11.232
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -11.296
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -12.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -153.925739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.925739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.925739 (E_RNA)
where:
Base-Base interactions energy: -101.151
where: short stacking energy: -38.316
Base-Backbone interact. energy: -0.107
local terms energy: -52.667151
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -12.038
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -12.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -148.905763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.905763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.905763 (E_RNA)
where:
Base-Base interactions energy: -101.243
where: short stacking energy: -32.094
Base-Backbone interact. energy: -0.006
local terms energy: -47.657019
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -13.115
flat angles C4'-P-C4' energy: -11.178
flat angles P-C4'-P energy: -3.992
tors. eta vs tors. theta energy: -7.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -130.013768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.013768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.013768 (E_RNA)
where:
Base-Base interactions energy: -78.778
where: short stacking energy: -33.004
Base-Backbone interact. energy: -0.010
local terms energy: -51.226095
where:
bonds (distance) C4'-P energy: -12.436
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -9.702
flat angles P-C4'-P energy: -7.005
tors. eta vs tors. theta energy: -8.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -134.017835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.017835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.017835 (E_RNA)
where:
Base-Base interactions energy: -81.042
where: short stacking energy: -29.265
Base-Backbone interact. energy: -0.359
local terms energy: -52.616663
where:
bonds (distance) C4'-P energy: -11.443
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -11.032
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -10.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -69.634422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.634422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.634422 (E_RNA)
where:
Base-Base interactions energy: -19.676
where: short stacking energy: -19.676
Base-Backbone interact. energy: -0.199
local terms energy: -49.759320
where:
bonds (distance) C4'-P energy: -10.354
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -4.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -69.191550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.191550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.191550 (E_RNA)
where:
Base-Base interactions energy: -31.823
where: short stacking energy: -19.960
Base-Backbone interact. energy: -0.182
local terms energy: -37.186444
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -9.716
flat angles C4'-P-C4' energy: -11.018
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: 2.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -67.930190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.930190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.930190 (E_RNA)
where:
Base-Base interactions energy: -28.981
where: short stacking energy: -20.025
Base-Backbone interact. energy: -0.088
local terms energy: -38.861560
where:
bonds (distance) C4'-P energy: -11.286
bonds (distance) P-C4' energy: -12.131
flat angles C4'-P-C4' energy: -5.168
flat angles P-C4'-P energy: -4.030
tors. eta vs tors. theta energy: -6.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -57.137238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.137238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.137238 (E_RNA)
where:
Base-Base interactions energy: -21.260
where: short stacking energy: -20.397
Base-Backbone interact. energy: -0.107
local terms energy: -35.771037
where:
bonds (distance) C4'-P energy: -9.443
bonds (distance) P-C4' energy: -12.246
flat angles C4'-P-C4' energy: -4.927
flat angles P-C4'-P energy: -6.737
tors. eta vs tors. theta energy: -2.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -63.905109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.905109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.905109 (E_RNA)
where:
Base-Base interactions energy: -28.053
where: short stacking energy: -22.201
Base-Backbone interact. energy: -0.516
local terms energy: -35.336285
where:
bonds (distance) C4'-P energy: -9.675
bonds (distance) P-C4' energy: -11.093
flat angles C4'-P-C4' energy: -3.709
flat angles P-C4'-P energy: -6.592
tors. eta vs tors. theta energy: -4.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -157.101335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.101335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.101335 (E_RNA)
where:
Base-Base interactions energy: -101.805
where: short stacking energy: -36.607
Base-Backbone interact. energy: -0.535
local terms energy: -54.761336
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -5.711
tors. eta vs tors. theta energy: -11.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -134.264062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.264062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.264062 (E_RNA)
where:
Base-Base interactions energy: -84.577
where: short stacking energy: -39.697
Base-Backbone interact. energy: 0.093
local terms energy: -49.780101
where:
bonds (distance) C4'-P energy: -10.715
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -10.092
flat angles P-C4'-P energy: -6.177
tors. eta vs tors. theta energy: -10.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -144.404490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.404490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.404490 (E_RNA)
where:
Base-Base interactions energy: -97.475
where: short stacking energy: -36.142
Base-Backbone interact. energy: 0.468
local terms energy: -47.397049
where:
bonds (distance) C4'-P energy: -8.221
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -8.804
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -8.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -132.595707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.595707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.595707 (E_RNA)
where:
Base-Base interactions energy: -82.510
where: short stacking energy: -37.686
Base-Backbone interact. energy: -0.121
local terms energy: -49.964194
where:
bonds (distance) C4'-P energy: -8.172
bonds (distance) P-C4' energy: -11.418
flat angles C4'-P-C4' energy: -11.282
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: -11.526
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: 5
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -136.510706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.510706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.510706 (E_RNA)
where:
Base-Base interactions energy: -82.437
where: short stacking energy: -33.974
Base-Backbone interact. energy: -0.107
local terms energy: -53.965925
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -8.681
flat angles P-C4'-P energy: -4.831
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: 6, replica: 6
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -68.824659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.824659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.824659 (E_RNA)
where:
Base-Base interactions energy: -19.025
where: short stacking energy: -19.025
Base-Backbone interact. energy: -0.095
local terms energy: -49.703925
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -10.783
flat angles C4'-P-C4' energy: -8.352
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -7.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -76.059219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.059219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.059219 (E_RNA)
where:
Base-Base interactions energy: -29.415
where: short stacking energy: -29.374
Base-Backbone interact. energy: -0.079
local terms energy: -46.565557
where:
bonds (distance) C4'-P energy: -9.989
bonds (distance) P-C4' energy: -11.059
flat angles C4'-P-C4' energy: -10.051
flat angles P-C4'-P energy: -7.657
tors. eta vs tors. theta energy: -7.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -63.190418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.190418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.190418 (E_RNA)
where:
Base-Base interactions energy: -21.392
where: short stacking energy: -14.047
Base-Backbone interact. energy: -0.189
local terms energy: -41.609405
where:
bonds (distance) C4'-P energy: -14.187
bonds (distance) P-C4' energy: -10.013
flat angles C4'-P-C4' energy: -10.261
flat angles P-C4'-P energy: -7.348
tors. eta vs tors. theta energy: 0.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -56.134491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.134491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.134491 (E_RNA)
where:
Base-Base interactions energy: -17.076
where: short stacking energy: -13.932
Base-Backbone interact. energy: -0.169
local terms energy: -38.889284
where:
bonds (distance) C4'-P energy: -6.657
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -7.990
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: -0.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -67.329538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.329538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.329538 (E_RNA)
where:
Base-Base interactions energy: -31.561
where: short stacking energy: -18.653
Base-Backbone interact. energy: 2.610
local terms energy: -38.379023
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -4.868
flat angles P-C4'-P energy: -8.195
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: 1, replica: 4
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -151.739650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.739650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.739650 (E_RNA)
where:
Base-Base interactions energy: -91.813
where: short stacking energy: -40.474
Base-Backbone interact. energy: -0.043
local terms energy: -59.883815
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -10.847
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -12.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -144.134587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.134587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.134587 (E_RNA)
where:
Base-Base interactions energy: -90.455
where: short stacking energy: -36.864
Base-Backbone interact. energy: -0.032
local terms energy: -53.646953
where:
bonds (distance) C4'-P energy: -12.801
bonds (distance) P-C4' energy: -12.262
flat angles C4'-P-C4' energy: -8.782
flat angles P-C4'-P energy: -7.330
tors. eta vs tors. theta energy: -12.473
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: 3, replica: 2
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -138.867073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.867073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.867073 (E_RNA)
where:
Base-Base interactions energy: -88.414
where: short stacking energy: -39.493
Base-Backbone interact. energy: -0.006
local terms energy: -50.447317
where:
bonds (distance) C4'-P energy: -11.186
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -11.263
flat angles P-C4'-P energy: -6.956
tors. eta vs tors. theta energy: -8.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -134.454974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.454974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.454974 (E_RNA)
where:
Base-Base interactions energy: -81.608
where: short stacking energy: -40.397
Base-Backbone interact. energy: -0.003
local terms energy: -52.844360
where:
bonds (distance) C4'-P energy: -7.575
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -11.781
flat angles P-C4'-P energy: -8.277
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: 5, replica: 5
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -137.639512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.639512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.639512 (E_RNA)
where:
Base-Base interactions energy: -84.470
where: short stacking energy: -43.046
Base-Backbone interact. energy: -0.614
local terms energy: -52.555701
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -11.545
flat angles P-C4'-P energy: -5.448
tors. eta vs tors. theta energy: -11.782
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: 6
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -62.029169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.029169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.029169 (E_RNA)
where:
Base-Base interactions energy: -16.023
where: short stacking energy: -15.593
Base-Backbone interact. energy: -0.055
local terms energy: -45.951628
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -9.498
flat angles P-C4'-P energy: -4.404
tors. eta vs tors. theta energy: -4.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -65.706842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.706842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.706842 (E_RNA)
where:
Base-Base interactions energy: -27.953
where: short stacking energy: -14.115
Base-Backbone interact. energy: -0.612
local terms energy: -37.141450
where:
bonds (distance) C4'-P energy: -9.009
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -10.123
flat angles P-C4'-P energy: -5.593
tors. eta vs tors. theta energy: 2.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -62.829314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.829314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.829314 (E_RNA)
where:
Base-Base interactions energy: -29.537
where: short stacking energy: -11.960
Base-Backbone interact. energy: -0.252
local terms energy: -33.040021
where:
bonds (distance) C4'-P energy: -6.740
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -8.725
flat angles P-C4'-P energy: -4.093
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: 9, replica: 8
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -68.859708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.859708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.859708 (E_RNA)
where:
Base-Base interactions energy: -19.626
where: short stacking energy: -19.626
Base-Backbone interact. energy: -0.002
local terms energy: -49.232259
where:
bonds (distance) C4'-P energy: -10.222
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -11.418
flat angles P-C4'-P energy: -6.228
tors. eta vs tors. theta energy: -9.400
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: 10, replica: 3
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -66.239180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.239180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.239180 (E_RNA)
where:
Base-Base interactions energy: -41.197
where: short stacking energy: -17.183
Base-Backbone interact. energy: -0.618
local terms energy: -24.424550
where:
bonds (distance) C4'-P energy: -5.390
bonds (distance) P-C4' energy: -9.185
flat angles C4'-P-C4' energy: -5.086
flat angles P-C4'-P energy: -2.826
tors. eta vs tors. theta energy: -1.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -148.071841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.071841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.071841 (E_RNA)
where:
Base-Base interactions energy: -94.565
where: short stacking energy: -38.950
Base-Backbone interact. energy: -0.065
local terms energy: -53.441763
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -12.035
flat angles P-C4'-P energy: -2.465
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: 2, replica: 2
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -135.219464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.219464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.219464 (E_RNA)
where:
Base-Base interactions energy: -84.561
where: short stacking energy: -24.831
Base-Backbone interact. energy: -0.098
local terms energy: -50.560270
where:
bonds (distance) C4'-P energy: -12.420
bonds (distance) P-C4' energy: -9.839
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -6.784
tors. eta vs tors. theta energy: -8.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -131.105005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.105005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.105005 (E_RNA)
where:
Base-Base interactions energy: -76.156
where: short stacking energy: -33.454
Base-Backbone interact. energy: -0.018
local terms energy: -54.931507
where:
bonds (distance) C4'-P energy: -11.488
bonds (distance) P-C4' energy: -11.249
flat angles C4'-P-C4' energy: -11.091
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -12.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -134.863039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.863039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.863039 (E_RNA)
where:
Base-Base interactions energy: -87.829
where: short stacking energy: -44.823
Base-Backbone interact. energy: -0.197
local terms energy: -46.837210
where:
bonds (distance) C4'-P energy: -8.930
bonds (distance) P-C4' energy: -10.029
flat angles C4'-P-C4' energy: -10.792
flat angles P-C4'-P energy: -2.349
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: 5, replica: 7
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -118.765889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.765889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.765889 (E_RNA)
where:
Base-Base interactions energy: -70.605
where: short stacking energy: -26.977
Base-Backbone interact. energy: -0.027
local terms energy: -48.134281
where:
bonds (distance) C4'-P energy: -13.869
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -11.922
flat angles P-C4'-P energy: -4.447
tors. eta vs tors. theta energy: -5.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -67.827483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.827483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.827483 (E_RNA)
where:
Base-Base interactions energy: -24.964
where: short stacking energy: -24.964
Base-Backbone interact. energy: -0.035
local terms energy: -42.828283
where:
bonds (distance) C4'-P energy: -10.367
bonds (distance) P-C4' energy: -11.409
flat angles C4'-P-C4' energy: -8.007
flat angles P-C4'-P energy: -7.197
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: 7, replica: 6
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -65.661121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.661121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.661121 (E_RNA)
where:
Base-Base interactions energy: -23.849
where: short stacking energy: -9.066
Base-Backbone interact. energy: -0.092
local terms energy: -41.720917
where:
bonds (distance) C4'-P energy: -11.815
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -6.847
flat angles P-C4'-P energy: -9.665
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: 8, replica: 9
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -61.327075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.327075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.327075 (E_RNA)
where:
Base-Base interactions energy: -23.209
where: short stacking energy: -18.644
Base-Backbone interact. energy: -0.202
local terms energy: -37.916582
where:
bonds (distance) C4'-P energy: -9.328
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -8.607
flat angles P-C4'-P energy: -4.345
tors. eta vs tors. theta energy: -3.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -79.764244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.764244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.764244 (E_RNA)
where:
Base-Base interactions energy: -43.366
where: short stacking energy: -19.748
Base-Backbone interact. energy: 1.098
local terms energy: -37.496036
where:
bonds (distance) C4'-P energy: -13.335
bonds (distance) P-C4' energy: -8.842
flat angles C4'-P-C4' energy: -8.939
flat angles P-C4'-P energy: -6.744
tors. eta vs tors. theta energy: 0.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -66.969499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.969499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.969499 (E_RNA)
where:
Base-Base interactions energy: -29.674
where: short stacking energy: -14.320
Base-Backbone interact. energy: -0.414
local terms energy: -36.881895
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -12.099
flat angles C4'-P-C4' energy: -7.949
flat angles P-C4'-P energy: -2.990
tors. eta vs tors. theta energy: -2.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -141.278980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.278980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.278980 (E_RNA)
where:
Base-Base interactions energy: -88.208
where: short stacking energy: -39.704
Base-Backbone interact. energy: -0.194
local terms energy: -52.877586
where:
bonds (distance) C4'-P energy: -10.155
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -5.019
tors. eta vs tors. theta energy: -12.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -142.838573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.838573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.838573 (E_RNA)
where:
Base-Base interactions energy: -94.339
where: short stacking energy: -38.092
Base-Backbone interact. energy: 1.340
local terms energy: -49.839735
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -9.548
flat angles C4'-P-C4' energy: -10.164
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -9.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -132.998010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.998010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.998010 (E_RNA)
where:
Base-Base interactions energy: -85.646
where: short stacking energy: -36.393
Base-Backbone interact. energy: -0.202
local terms energy: -47.150168
where:
bonds (distance) C4'-P energy: -8.039
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -7.029
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: 4, replica: 5
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -115.672318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.672318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.672318 (E_RNA)
where:
Base-Base interactions energy: -68.654
where: short stacking energy: -31.439
Base-Backbone interact. energy: -0.092
local terms energy: -46.926134
where:
bonds (distance) C4'-P energy: -10.884
bonds (distance) P-C4' energy: -10.126
flat angles C4'-P-C4' energy: -10.714
flat angles P-C4'-P energy: -7.595
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: 5, replica: 7
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -140.588676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.588676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.588676 (E_RNA)
where:
Base-Base interactions energy: -89.676
where: short stacking energy: -30.815
Base-Backbone interact. energy: -0.006
local terms energy: -50.905868
where:
bonds (distance) C4'-P energy: -11.286
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -7.820
flat angles P-C4'-P energy: -9.128
tors. eta vs tors. theta energy: -11.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -68.757098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.757098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.757098 (E_RNA)
where:
Base-Base interactions energy: -21.444
where: short stacking energy: -21.444
Base-Backbone interact. energy: -0.213
local terms energy: -47.100153
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: 0.271
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: 7, replica: 6
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -73.897314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.897314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.897314 (E_RNA)
where:
Base-Base interactions energy: -31.869
where: short stacking energy: -6.129
Base-Backbone interact. energy: -0.636
local terms energy: -41.392092
where:
bonds (distance) C4'-P energy: -11.166
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -11.936
flat angles P-C4'-P energy: -4.698
tors. eta vs tors. theta energy: 0.617
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: 9
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -64.307882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.307882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.307882 (E_RNA)
where:
Base-Base interactions energy: -18.303
where: short stacking energy: -17.197
Base-Backbone interact. energy: -0.040
local terms energy: -45.964948
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -10.221
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -6.998
tors. eta vs tors. theta energy: -5.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -67.114430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.114430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.114430 (E_RNA)
where:
Base-Base interactions energy: -25.640
where: short stacking energy: -25.640
Base-Backbone interact. energy: -0.001
local terms energy: -41.473562
where:
bonds (distance) C4'-P energy: -10.561
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -4.834
flat angles P-C4'-P energy: -8.480
tors. eta vs tors. theta energy: -4.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -61.449339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.449339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.449339 (E_RNA)
where:
Base-Base interactions energy: -22.222
where: short stacking energy: -11.909
Base-Backbone interact. energy: -0.246
local terms energy: -38.981121
where:
bonds (distance) C4'-P energy: -7.571
bonds (distance) P-C4' energy: -9.918
flat angles C4'-P-C4' energy: -11.913
flat angles P-C4'-P energy: -6.621
tors. eta vs tors. theta energy: -2.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -146.842072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.842072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.842072 (E_RNA)
where:
Base-Base interactions energy: -99.283
where: short stacking energy: -36.219
Base-Backbone interact. energy: 0.399
local terms energy: -47.957741
where:
bonds (distance) C4'-P energy: -11.878
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -11.544
flat angles P-C4'-P energy: -1.481
tors. eta vs tors. theta energy: -10.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -138.344241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.344241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.344241 (E_RNA)
where:
Base-Base interactions energy: -85.851
where: short stacking energy: -33.383
Base-Backbone interact. energy: -1.533
local terms energy: -50.959800
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -9.847
flat angles P-C4'-P energy: -5.919
tors. eta vs tors. theta energy: -11.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -147.658217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.658217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.658217 (E_RNA)
where:
Base-Base interactions energy: -96.976
where: short stacking energy: -43.203
Base-Backbone interact. energy: -0.008
local terms energy: -50.674305
where:
bonds (distance) C4'-P energy: -7.953
bonds (distance) P-C4' energy: -11.458
flat angles C4'-P-C4' energy: -9.283
flat angles P-C4'-P energy: -8.381
tors. eta vs tors. theta energy: -13.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -137.412048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.412048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.412048 (E_RNA)
where:
Base-Base interactions energy: -84.748
where: short stacking energy: -35.929
Base-Backbone interact. energy: -0.199
local terms energy: -52.464306
where:
bonds (distance) C4'-P energy: -13.662
bonds (distance) P-C4' energy: -11.087
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -5.884
tors. eta vs tors. theta energy: -9.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -133.209919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.209919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.209919 (E_RNA)
where:
Base-Base interactions energy: -81.575
where: short stacking energy: -35.354
Base-Backbone interact. energy: -0.029
local terms energy: -51.605367
where:
bonds (distance) C4'-P energy: -9.187
bonds (distance) P-C4' energy: -9.648
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -11.869
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: 6
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -71.647012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.647012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.647012 (E_RNA)
where:
Base-Base interactions energy: -26.645
where: short stacking energy: -26.617
Base-Backbone interact. energy: -0.001
local terms energy: -45.001079
where:
bonds (distance) C4'-P energy: -11.157
bonds (distance) P-C4' energy: -9.152
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -3.659
tors. eta vs tors. theta energy: -9.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -81.345375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.345375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.345375 (E_RNA)
where:
Base-Base interactions energy: -41.202
where: short stacking energy: -23.659
Base-Backbone interact. energy: -0.422
local terms energy: -39.721812
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -11.250
flat angles C4'-P-C4' energy: -10.032
flat angles P-C4'-P energy: -3.357
tors. eta vs tors. theta energy: -2.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -61.478447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.478447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.478447 (E_RNA)
where:
Base-Base interactions energy: -18.456
where: short stacking energy: -13.028
Base-Backbone interact. energy: -0.078
local terms energy: -42.944914
where:
bonds (distance) C4'-P energy: -12.473
bonds (distance) P-C4' energy: -7.896
flat angles C4'-P-C4' energy: -10.109
flat angles P-C4'-P energy: -7.136
tors. eta vs tors. theta energy: -5.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -65.274848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.274848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.274848 (E_RNA)
where:
Base-Base interactions energy: -26.754
where: short stacking energy: -19.817
Base-Backbone interact. energy: -0.187
local terms energy: -38.333351
where:
bonds (distance) C4'-P energy: -6.334
bonds (distance) P-C4' energy: -11.994
flat angles C4'-P-C4' energy: -10.262
flat angles P-C4'-P energy: -6.361
tors. eta vs tors. theta energy: -3.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -58.152906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.152906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.152906 (E_RNA)
where:
Base-Base interactions energy: -21.551
where: short stacking energy: -16.411
Base-Backbone interact. energy: -0.208
local terms energy: -36.393649
where:
bonds (distance) C4'-P energy: -9.726
bonds (distance) P-C4' energy: -10.694
flat angles C4'-P-C4' energy: -11.310
flat angles P-C4'-P energy: -3.245
tors. eta vs tors. theta energy: -1.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -148.185753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.185753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.185753 (E_RNA)
where:
Base-Base interactions energy: -94.823
where: short stacking energy: -41.384
Base-Backbone interact. energy: -0.003
local terms energy: -53.359228
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -10.147
flat angles C4'-P-C4' energy: -9.829
flat angles P-C4'-P energy: -6.016
tors. eta vs tors. theta energy: -13.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -148.779298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.779298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.779298 (E_RNA)
where:
Base-Base interactions energy: -97.853
where: short stacking energy: -37.486
Base-Backbone interact. energy: -0.031
local terms energy: -50.894901
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -10.213
flat angles P-C4'-P energy: -3.441
tors. eta vs tors. theta energy: -11.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -145.974943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.974943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.974943 (E_RNA)
where:
Base-Base interactions energy: -95.556
where: short stacking energy: -38.895
Base-Backbone interact. energy: 0.453
local terms energy: -50.871992
where:
bonds (distance) C4'-P energy: -11.906
bonds (distance) P-C4' energy: -9.861
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -6.590
tors. eta vs tors. theta energy: -10.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -126.565020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.565020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.565020 (E_RNA)
where:
Base-Base interactions energy: -86.447
where: short stacking energy: -30.028
Base-Backbone interact. energy: 1.375
local terms energy: -41.493896
where:
bonds (distance) C4'-P energy: -8.332
bonds (distance) P-C4' energy: -11.711
flat angles C4'-P-C4' energy: -10.815
flat angles P-C4'-P energy: -6.258
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: 5, replica: 5
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -111.457633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.457633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.457633 (E_RNA)
where:
Base-Base interactions energy: -61.098
where: short stacking energy: -20.676
Base-Backbone interact. energy: -0.149
local terms energy: -50.211343
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -8.546
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -5.570
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: 6
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -77.473100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.473100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.473100 (E_RNA)
where:
Base-Base interactions energy: -28.719
where: short stacking energy: -21.353
Base-Backbone interact. energy: -0.049
local terms energy: -48.704727
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -11.719
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -7.105
tors. eta vs tors. theta energy: -5.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -85.626111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.626111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.626111 (E_RNA)
where:
Base-Base interactions energy: -46.607
where: short stacking energy: -19.057
Base-Backbone interact. energy: -0.148
local terms energy: -38.871028
where:
bonds (distance) C4'-P energy: -12.031
bonds (distance) P-C4' energy: -10.324
flat angles C4'-P-C4' energy: -8.663
flat angles P-C4'-P energy: -5.764
tors. eta vs tors. theta energy: -2.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -61.843236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.843236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.843236 (E_RNA)
where:
Base-Base interactions energy: -22.925
where: short stacking energy: -22.925
Base-Backbone interact. energy: -0.029
local terms energy: -38.889462
where:
bonds (distance) C4'-P energy: -11.344
bonds (distance) P-C4' energy: -9.560
flat angles C4'-P-C4' energy: -9.880
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: 0.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -61.640979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.640979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.640979 (E_RNA)
where:
Base-Base interactions energy: -26.150
where: short stacking energy: -24.619
Base-Backbone interact. energy: -0.132
local terms energy: -35.359303
where:
bonds (distance) C4'-P energy: -9.157
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -3.363
flat angles P-C4'-P energy: -2.409
tors. eta vs tors. theta energy: -7.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -70.405667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.405667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.405667 (E_RNA)
where:
Base-Base interactions energy: -37.010
where: short stacking energy: -26.783
Base-Backbone interact. energy: -0.036
local terms energy: -33.360473
where:
bonds (distance) C4'-P energy: -6.586
bonds (distance) P-C4' energy: -5.075
flat angles C4'-P-C4' energy: -9.323
flat angles P-C4'-P energy: -6.091
tors. eta vs tors. theta energy: -6.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -155.843956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.843956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.843956 (E_RNA)
where:
Base-Base interactions energy: -102.650
where: short stacking energy: -37.137
Base-Backbone interact. energy: -1.028
local terms energy: -52.165891
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -10.933
flat angles P-C4'-P energy: -4.652
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: 2, replica: 2
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -146.789554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.789554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.789554 (E_RNA)
where:
Base-Base interactions energy: -95.220
where: short stacking energy: -37.693
Base-Backbone interact. energy: -0.140
local terms energy: -51.429262
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -10.947
flat angles C4'-P-C4' energy: -11.636
flat angles P-C4'-P energy: -4.198
tors. eta vs tors. theta energy: -13.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -144.109136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.109136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.109136 (E_RNA)
where:
Base-Base interactions energy: -95.989
where: short stacking energy: -33.691
Base-Backbone interact. energy: -0.129
local terms energy: -47.990588
where:
bonds (distance) C4'-P energy: -10.644
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -8.395
flat angles P-C4'-P energy: -5.389
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: 4, replica: 7
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -129.800281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.800281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.800281 (E_RNA)
where:
Base-Base interactions energy: -86.874
where: short stacking energy: -28.191
Base-Backbone interact. energy: -0.106
local terms energy: -42.819645
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -7.206
flat angles C4'-P-C4' energy: -11.373
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -2.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -106.762897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.762897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.762897 (E_RNA)
where:
Base-Base interactions energy: -66.731
where: short stacking energy: -28.499
Base-Backbone interact. energy: -0.127
local terms energy: -39.904823
where:
bonds (distance) C4'-P energy: -9.057
bonds (distance) P-C4' energy: -8.145
flat angles C4'-P-C4' energy: -6.859
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: -8.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -67.467007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.467007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.467007 (E_RNA)
where:
Base-Base interactions energy: -20.983
where: short stacking energy: -20.876
Base-Backbone interact. energy: -0.002
local terms energy: -46.481944
where:
bonds (distance) C4'-P energy: -10.457
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -11.266
flat angles P-C4'-P energy: -5.649
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: 7, replica: 6
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -69.649016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.649016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.649016 (E_RNA)
where:
Base-Base interactions energy: -39.073
where: short stacking energy: -6.283
Base-Backbone interact. energy: -1.543
local terms energy: -29.032970
where:
bonds (distance) C4'-P energy: -6.000
bonds (distance) P-C4' energy: -9.116
flat angles C4'-P-C4' energy: -9.348
flat angles P-C4'-P energy: -6.383
tors. eta vs tors. theta energy: 1.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -75.464933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.464933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.464933 (E_RNA)
where:
Base-Base interactions energy: -36.867
where: short stacking energy: -13.265
Base-Backbone interact. energy: -0.553
local terms energy: -38.044952
where:
bonds (distance) C4'-P energy: -11.186
bonds (distance) P-C4' energy: -11.068
flat angles C4'-P-C4' energy: -9.606
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: 2.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -52.277931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.277931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.277931 (E_RNA)
where:
Base-Base interactions energy: -13.050
where: short stacking energy: -8.890
Base-Backbone interact. energy: -0.018
local terms energy: -39.209946
where:
bonds (distance) C4'-P energy: -8.391
bonds (distance) P-C4' energy: -13.111
flat angles C4'-P-C4' energy: -10.946
flat angles P-C4'-P energy: -6.816
tors. eta vs tors. theta energy: 0.054
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: 9
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -70.139223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.139223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.139223 (E_RNA)
where:
Base-Base interactions energy: -36.470
where: short stacking energy: -14.638
Base-Backbone interact. energy: -0.251
local terms energy: -33.417740
where:
bonds (distance) C4'-P energy: -10.094
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -6.884
flat angles P-C4'-P energy: -6.391
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: 10
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -159.060199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.060199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.060199 (E_RNA)
where:
Base-Base interactions energy: -106.161
where: short stacking energy: -46.022
Base-Backbone interact. energy: -0.080
local terms energy: -52.818864
where:
bonds (distance) C4'-P energy: -10.520
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -9.706
flat angles P-C4'-P energy: -8.387
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: 2, replica: 2
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -151.165463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.165463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.165463 (E_RNA)
where:
Base-Base interactions energy: -96.943
where: short stacking energy: -38.212
Base-Backbone interact. energy: -0.013
local terms energy: -54.210142
where:
bonds (distance) C4'-P energy: -10.222
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -6.998
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: 3, replica: 4
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -149.112073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.112073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.112073 (E_RNA)
where:
Base-Base interactions energy: -97.270
where: short stacking energy: -34.984
Base-Backbone interact. energy: -0.059
local terms energy: -51.782998
where:
bonds (distance) C4'-P energy: -12.801
bonds (distance) P-C4' energy: -11.553
flat angles C4'-P-C4' energy: -10.401
flat angles P-C4'-P energy: -7.139
tors. eta vs tors. theta energy: -9.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -104.312909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.312909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.312909 (E_RNA)
where:
Base-Base interactions energy: -65.078
where: short stacking energy: -28.082
Base-Backbone interact. energy: -0.231
local terms energy: -39.003940
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -8.546
flat angles P-C4'-P energy: -4.871
tors. eta vs tors. theta energy: -0.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -121.438063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.438063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.438063 (E_RNA)
where:
Base-Base interactions energy: -74.218
where: short stacking energy: -31.041
Base-Backbone interact. energy: -0.459
local terms energy: -46.761530
where:
bonds (distance) C4'-P energy: -9.882
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -6.355
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: 6, replica: 1
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -67.833198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.833198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.833198 (E_RNA)
where:
Base-Base interactions energy: -25.644
where: short stacking energy: -22.185
Base-Backbone interact. energy: -0.009
local terms energy: -42.180438
where:
bonds (distance) C4'-P energy: -10.635
bonds (distance) P-C4' energy: -11.744
flat angles C4'-P-C4' energy: -9.774
flat angles P-C4'-P energy: -6.280
tors. eta vs tors. theta energy: -3.747
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: 8
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -73.066121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.066121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.066121 (E_RNA)
where:
Base-Base interactions energy: -27.536
where: short stacking energy: -11.205
Base-Backbone interact. energy: -0.132
local terms energy: -45.398568
where:
bonds (distance) C4'-P energy: -9.614
bonds (distance) P-C4' energy: -11.678
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -7.638
tors. eta vs tors. theta energy: -2.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -64.998486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.998486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.998486 (E_RNA)
where:
Base-Base interactions energy: -26.522
where: short stacking energy: -9.406
Base-Backbone interact. energy: -0.218
local terms energy: -38.258641
where:
bonds (distance) C4'-P energy: -10.235
bonds (distance) P-C4' energy: -9.335
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -10.085
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: 9, replica: 9
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -65.918989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.918989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.918989 (E_RNA)
where:
Base-Base interactions energy: -29.037
where: short stacking energy: -11.015
Base-Backbone interact. energy: -1.512
local terms energy: -35.370463
where:
bonds (distance) C4'-P energy: -6.330
bonds (distance) P-C4' energy: -8.949
flat angles C4'-P-C4' energy: -10.952
flat angles P-C4'-P energy: -7.051
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: 3
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -66.983909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.983909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.983909 (E_RNA)
where:
Base-Base interactions energy: -27.576
where: short stacking energy: -12.996
Base-Backbone interact. energy: -0.111
local terms energy: -39.297361
where:
bonds (distance) C4'-P energy: -10.954
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -10.328
flat angles P-C4'-P energy: -4.593
tors. eta vs tors. theta energy: -0.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -158.773571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.773571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.773571 (E_RNA)
where:
Base-Base interactions energy: -105.839
where: short stacking energy: -35.119
Base-Backbone interact. energy: -0.022
local terms energy: -52.912365
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -9.237
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -10.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -157.091346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.091346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.091346 (E_RNA)
where:
Base-Base interactions energy: -102.384
where: short stacking energy: -36.838
Base-Backbone interact. energy: -0.019
local terms energy: -54.687684
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -9.748
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: -11.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -148.437145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.437145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.437145 (E_RNA)
where:
Base-Base interactions energy: -94.964
where: short stacking energy: -44.069
Base-Backbone interact. energy: -0.218
local terms energy: -53.255549
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -12.193
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -4.632
tors. eta vs tors. theta energy: -13.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -132.202122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.202122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.202122 (E_RNA)
where:
Base-Base interactions energy: -82.067
where: short stacking energy: -39.168
Base-Backbone interact. energy: -0.175
local terms energy: -49.960723
where:
bonds (distance) C4'-P energy: -11.852
bonds (distance) P-C4' energy: -11.721
flat angles C4'-P-C4' energy: -9.230
flat angles P-C4'-P energy: -6.172
tors. eta vs tors. theta energy: -10.985
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: 5, replica: 7
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -119.042559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.042559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.042559 (E_RNA)
where:
Base-Base interactions energy: -79.055
where: short stacking energy: -30.482
Base-Backbone interact. energy: -0.236
local terms energy: -39.752223
where:
bonds (distance) C4'-P energy: -4.193
bonds (distance) P-C4' energy: -10.382
flat angles C4'-P-C4' energy: -10.808
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -6.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -78.212486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.212486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.212486 (E_RNA)
where:
Base-Base interactions energy: -37.684
where: short stacking energy: -25.600
Base-Backbone interact. energy: -0.001
local terms energy: -40.527341
where:
bonds (distance) C4'-P energy: -6.623
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -9.537
flat angles P-C4'-P energy: -4.780
tors. eta vs tors. theta energy: -6.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -57.045271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.045271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.045271 (E_RNA)
where:
Base-Base interactions energy: -18.028
where: short stacking energy: -17.089
Base-Backbone interact. energy: -0.028
local terms energy: -38.989989
where:
bonds (distance) C4'-P energy: -7.037
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -8.226
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -1.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -62.510614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.510614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.510614 (E_RNA)
where:
Base-Base interactions energy: -28.676
where: short stacking energy: -19.715
Base-Backbone interact. energy: 1.249
local terms energy: -35.084093
where:
bonds (distance) C4'-P energy: -7.678
bonds (distance) P-C4' energy: -11.252
flat angles C4'-P-C4' energy: -12.331
flat angles P-C4'-P energy: -3.728
tors. eta vs tors. theta energy: -0.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -57.880278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.880278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.880278 (E_RNA)
where:
Base-Base interactions energy: -24.911
where: short stacking energy: -7.881
Base-Backbone interact. energy: -0.205
local terms energy: -32.764665
where:
bonds (distance) C4'-P energy: -9.399
bonds (distance) P-C4' energy: -9.768
flat angles C4'-P-C4' energy: -10.066
flat angles P-C4'-P energy: -3.607
tors. eta vs tors. theta energy: 0.075
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: 3
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -54.515066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.515066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.515066 (E_RNA)
where:
Base-Base interactions energy: -14.546
where: short stacking energy: -14.546
Base-Backbone interact. energy: -0.174
local terms energy: -39.795517
where:
bonds (distance) C4'-P energy: -10.102
bonds (distance) P-C4' energy: -11.707
flat angles C4'-P-C4' energy: -10.076
flat angles P-C4'-P energy: -4.821
tors. eta vs tors. theta energy: -3.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -149.349856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.349856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.349856 (E_RNA)
where:
Base-Base interactions energy: -95.151
where: short stacking energy: -36.227
Base-Backbone interact. energy: -0.115
local terms energy: -54.084037
where:
bonds (distance) C4'-P energy: -9.473
bonds (distance) P-C4' energy: -14.030
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -5.397
tors. eta vs tors. theta energy: -12.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -162.771133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.771133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.771133 (E_RNA)
where:
Base-Base interactions energy: -115.178
where: short stacking energy: -28.702
Base-Backbone interact. energy: -0.023
local terms energy: -47.569736
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -8.375
flat angles C4'-P-C4' energy: -8.808
flat angles P-C4'-P energy: -5.812
tors. eta vs tors. theta energy: -11.670
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: 3, replica: 5
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -131.935960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.935960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.935960 (E_RNA)
where:
Base-Base interactions energy: -75.197
where: short stacking energy: -34.051
Base-Backbone interact. energy: -0.151
local terms energy: -56.588262
where:
bonds (distance) C4'-P energy: -9.738
bonds (distance) P-C4' energy: -10.376
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -10.155
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: 4, replica: 2
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -133.360368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.360368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.360368 (E_RNA)
where:
Base-Base interactions energy: -89.956
where: short stacking energy: -33.584
Base-Backbone interact. energy: -0.009
local terms energy: -43.395169
where:
bonds (distance) C4'-P energy: -8.697
bonds (distance) P-C4' energy: -9.259
flat angles C4'-P-C4' energy: -11.285
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -5.683
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: 8
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -87.022816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.022816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.022816 (E_RNA)
where:
Base-Base interactions energy: -43.770
where: short stacking energy: -23.489
Base-Backbone interact. energy: -0.061
local terms energy: -43.191999
where:
bonds (distance) C4'-P energy: -8.247
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -10.067
flat angles P-C4'-P energy: -7.276
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: 6, replica: 7
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -108.213220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.213220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.213220 (E_RNA)
where:
Base-Base interactions energy: -62.950
where: short stacking energy: -23.744
Base-Backbone interact. energy: 0.313
local terms energy: -45.576391
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -10.711
flat angles P-C4'-P energy: -1.899
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: 7, replica: 9
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -81.823209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.823209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.823209 (E_RNA)
where:
Base-Base interactions energy: -42.451
where: short stacking energy: -14.803
Base-Backbone interact. energy: -0.181
local terms energy: -39.191799
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -10.554
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -4.642
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: 8, replica: 1
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -65.483006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.483006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.483006 (E_RNA)
where:
Base-Base interactions energy: -25.493
where: short stacking energy: -25.493
Base-Backbone interact. energy: -0.004
local terms energy: -39.986239
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -11.203
flat angles C4'-P-C4' energy: -6.175
flat angles P-C4'-P energy: -5.020
tors. eta vs tors. theta energy: -5.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -58.187719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.187719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.187719 (E_RNA)
where:
Base-Base interactions energy: -21.564
where: short stacking energy: -18.919
Base-Backbone interact. energy: -0.182
local terms energy: -36.441309
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -10.342
flat angles C4'-P-C4' energy: -9.090
flat angles P-C4'-P energy: -5.775
tors. eta vs tors. theta energy: 0.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -58.320301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.320301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.320301 (E_RNA)
where:
Base-Base interactions energy: -17.221
where: short stacking energy: -17.221
Base-Backbone interact. energy: -0.034
local terms energy: -41.065321
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -8.414
flat angles P-C4'-P energy: -2.625
tors. eta vs tors. theta energy: -6.537
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: 4
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -147.452273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.452273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.452273 (E_RNA)
where:
Base-Base interactions energy: -100.358
where: short stacking energy: -32.852
Base-Backbone interact. energy: -0.113
local terms energy: -46.981146
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -7.929
flat angles P-C4'-P energy: -6.871
tors. eta vs tors. theta energy: -5.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -142.167795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.167795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.167795 (E_RNA)
where:
Base-Base interactions energy: -84.643
where: short stacking energy: -40.995
Base-Backbone interact. energy: -0.091
local terms energy: -57.434281
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -7.639
flat angles P-C4'-P energy: -6.866
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: 10
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -140.833662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.833662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.833662 (E_RNA)
where:
Base-Base interactions energy: -84.193
where: short stacking energy: -37.481
Base-Backbone interact. energy: -0.007
local terms energy: -56.633601
where:
bonds (distance) C4'-P energy: -9.489
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -11.674
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -11.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -146.022144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.022144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.022144 (E_RNA)
where:
Base-Base interactions energy: -98.102
where: short stacking energy: -39.922
Base-Backbone interact. energy: -0.006
local terms energy: -47.913897
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -11.875
flat angles C4'-P-C4' energy: -8.813
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -6.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -82.478782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.478782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.478782 (E_RNA)
where:
Base-Base interactions energy: -33.337
where: short stacking energy: -25.297
Base-Backbone interact. energy: -0.063
local terms energy: -49.077962
where:
bonds (distance) C4'-P energy: -8.516
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -6.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -103.114405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.114405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.114405 (E_RNA)
where:
Base-Base interactions energy: -54.440
where: short stacking energy: -30.897
Base-Backbone interact. energy: -0.005
local terms energy: -48.669678
where:
bonds (distance) C4'-P energy: -13.546
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -9.794
flat angles P-C4'-P energy: -5.518
tors. eta vs tors. theta energy: -5.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -70.405520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.405520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.405520 (E_RNA)
where:
Base-Base interactions energy: -31.821
where: short stacking energy: -10.287
Base-Backbone interact. energy: -0.049
local terms energy: -38.534836
where:
bonds (distance) C4'-P energy: -6.968
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -11.138
flat angles P-C4'-P energy: -7.675
tors. eta vs tors. theta energy: 1.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -65.595378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.595378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.595378 (E_RNA)
where:
Base-Base interactions energy: -30.439
where: short stacking energy: -15.170
Base-Backbone interact. energy: -0.093
local terms energy: -35.063805
where:
bonds (distance) C4'-P energy: -7.509
bonds (distance) P-C4' energy: -7.528
flat angles C4'-P-C4' energy: -9.562
flat angles P-C4'-P energy: -6.047
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: 9, replica: 6
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -59.526972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.526972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.526972 (E_RNA)
where:
Base-Base interactions energy: -24.939
where: short stacking energy: -5.955
Base-Backbone interact. energy: -0.002
local terms energy: -34.586119
where:
bonds (distance) C4'-P energy: -11.948
bonds (distance) P-C4' energy: -6.871
flat angles C4'-P-C4' energy: -10.985
flat angles P-C4'-P energy: -6.825
tors. eta vs tors. theta energy: 2.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -57.627446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.627446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.627446 (E_RNA)
where:
Base-Base interactions energy: -18.097
where: short stacking energy: -12.697
Base-Backbone interact. energy: 0.622
local terms energy: -40.152418
where:
bonds (distance) C4'-P energy: -9.215
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -6.601
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -2.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -160.680325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.680325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.680325 (E_RNA)
where:
Base-Base interactions energy: -114.064
where: short stacking energy: -43.094
Base-Backbone interact. energy: -0.067
local terms energy: -46.549172
where:
bonds (distance) C4'-P energy: -12.126
bonds (distance) P-C4' energy: -11.169
flat angles C4'-P-C4' energy: -4.769
flat angles P-C4'-P energy: -5.317
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: 2, replica: 5
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -136.850495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.850495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.850495 (E_RNA)
where:
Base-Base interactions energy: -77.666
where: short stacking energy: -44.240
Base-Backbone interact. energy: -0.002
local terms energy: -59.183009
where:
bonds (distance) C4'-P energy: -13.016
bonds (distance) P-C4' energy: -12.703
flat angles C4'-P-C4' energy: -11.789
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -11.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -138.755320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.755320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.755320 (E_RNA)
where:
Base-Base interactions energy: -93.058
where: short stacking energy: -36.875
Base-Backbone interact. energy: 0.320
local terms energy: -46.017064
where:
bonds (distance) C4'-P energy: -10.081
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -6.644
flat angles P-C4'-P energy: -7.194
tors. eta vs tors. theta energy: -8.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -131.904885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.904885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.904885 (E_RNA)
where:
Base-Base interactions energy: -83.288
where: short stacking energy: -37.058
Base-Backbone interact. energy: -0.150
local terms energy: -48.466450
where:
bonds (distance) C4'-P energy: -12.172
bonds (distance) P-C4' energy: -10.531
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -6.068
tors. eta vs tors. theta energy: -7.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -129.144585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.144585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.144585 (E_RNA)
where:
Base-Base interactions energy: -77.668
where: short stacking energy: -24.445
Base-Backbone interact. energy: -0.074
local terms energy: -51.401931
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -11.681
flat angles P-C4'-P energy: -4.540
tors. eta vs tors. theta energy: -9.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -67.272497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.272497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.272497 (E_RNA)
where:
Base-Base interactions energy: -33.812
where: short stacking energy: -17.068
Base-Backbone interact. energy: -0.394
local terms energy: -33.066823
where:
bonds (distance) C4'-P energy: -11.149
bonds (distance) P-C4' energy: -8.637
flat angles C4'-P-C4' energy: -8.119
flat angles P-C4'-P energy: -5.889
tors. eta vs tors. theta energy: 0.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -71.833078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.833078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.833078 (E_RNA)
where:
Base-Base interactions energy: -35.473
where: short stacking energy: -14.552
Base-Backbone interact. energy: -0.647
local terms energy: -35.712779
where:
bonds (distance) C4'-P energy: -7.046
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -8.310
flat angles P-C4'-P energy: -7.418
tors. eta vs tors. theta energy: 0.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -65.609512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.609512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.609512 (E_RNA)
where:
Base-Base interactions energy: -21.706
where: short stacking energy: -15.622
Base-Backbone interact. energy: -0.226
local terms energy: -43.677234
where:
bonds (distance) C4'-P energy: -10.458
bonds (distance) P-C4' energy: -9.961
flat angles C4'-P-C4' energy: -10.385
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -2.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -58.975129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.975129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.975129 (E_RNA)
where:
Base-Base interactions energy: -22.032
where: short stacking energy: -11.364
Base-Backbone interact. energy: -0.989
local terms energy: -35.954401
where:
bonds (distance) C4'-P energy: -6.993
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -11.902
flat angles P-C4'-P energy: -5.428
tors. eta vs tors. theta energy: 1.890
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: 6
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -55.864712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.864712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.864712 (E_RNA)
where:
Base-Base interactions energy: -17.814
where: short stacking energy: -15.516
Base-Backbone interact. energy: -0.068
local terms energy: -37.981932
where:
bonds (distance) C4'-P energy: -11.335
bonds (distance) P-C4' energy: -11.104
flat angles C4'-P-C4' energy: -7.987
flat angles P-C4'-P energy: -6.640
tors. eta vs tors. theta energy: -0.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -166.390504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.390504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.390504 (E_RNA)
where:
Base-Base interactions energy: -116.640
where: short stacking energy: -30.724
Base-Backbone interact. energy: -0.070
local terms energy: -49.681326
where:
bonds (distance) C4'-P energy: -11.836
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -7.534
flat angles P-C4'-P energy: -4.733
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: 2, replica: 2
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -142.146629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.146629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.146629 (E_RNA)
where:
Base-Base interactions energy: -89.560
where: short stacking energy: -41.428
Base-Backbone interact. energy: -0.001
local terms energy: -52.586446
where:
bonds (distance) C4'-P energy: -6.572
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -6.679
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: 3, replica: 5
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -140.752478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.752478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.752478 (E_RNA)
where:
Base-Base interactions energy: -83.528
where: short stacking energy: -40.017
Base-Backbone interact. energy: -0.056
local terms energy: -57.168707
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -10.978
flat angles P-C4'-P energy: -5.910
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: 4, replica: 10
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -132.904071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.904071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.904071 (E_RNA)
where:
Base-Base interactions energy: -80.619
where: short stacking energy: -30.451
Base-Backbone interact. energy: -0.005
local terms energy: -52.280225
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -7.962
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -9.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -114.430345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.430345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.430345 (E_RNA)
where:
Base-Base interactions energy: -63.304
where: short stacking energy: -24.349
Base-Backbone interact. energy: -0.080
local terms energy: -51.046809
where:
bonds (distance) C4'-P energy: -11.927
bonds (distance) P-C4' energy: -11.039
flat angles C4'-P-C4' energy: -10.287
flat angles P-C4'-P energy: -11.693
tors. eta vs tors. theta energy: -6.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -66.881894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.881894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.881894 (E_RNA)
where:
Base-Base interactions energy: -21.991
where: short stacking energy: -20.586
Base-Backbone interact. energy: -0.104
local terms energy: -44.786879
where:
bonds (distance) C4'-P energy: -9.832
bonds (distance) P-C4' energy: -10.792
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -8.200
tors. eta vs tors. theta energy: -3.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -61.209320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.209320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.209320 (E_RNA)
where:
Base-Base interactions energy: -21.495
where: short stacking energy: -20.655
Base-Backbone interact. energy: -0.042
local terms energy: -39.672404
where:
bonds (distance) C4'-P energy: -12.763
bonds (distance) P-C4' energy: -9.014
flat angles C4'-P-C4' energy: -5.708
flat angles P-C4'-P energy: -7.612
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: 8, replica: 3
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -65.538349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.538349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.538349 (E_RNA)
where:
Base-Base interactions energy: -34.807
where: short stacking energy: -10.220
Base-Backbone interact. energy: -0.149
local terms energy: -30.582339
where:
bonds (distance) C4'-P energy: -9.103
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -2.616
flat angles P-C4'-P energy: -7.018
tors. eta vs tors. theta energy: 1.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -68.732148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.732148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.732148 (E_RNA)
where:
Base-Base interactions energy: -23.411
where: short stacking energy: -22.811
Base-Backbone interact. energy: -0.001
local terms energy: -45.320277
where:
bonds (distance) C4'-P energy: -9.419
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -6.255
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -7.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -51.396758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.396758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.396758 (E_RNA)
where:
Base-Base interactions energy: -15.508
where: short stacking energy: -10.105
Base-Backbone interact. energy: -0.141
local terms energy: -35.747285
where:
bonds (distance) C4'-P energy: -9.100
bonds (distance) P-C4' energy: -12.446
flat angles C4'-P-C4' energy: -6.965
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: 2.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -159.994665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.994665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.994665 (E_RNA)
where:
Base-Base interactions energy: -114.420
where: short stacking energy: -30.531
Base-Backbone interact. energy: -0.117
local terms energy: -45.457706
where:
bonds (distance) C4'-P energy: -7.233
bonds (distance) P-C4' energy: -12.034
flat angles C4'-P-C4' energy: -10.999
flat angles P-C4'-P energy: -4.056
tors. eta vs tors. theta energy: -11.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -139.191548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.191548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.191548 (E_RNA)
where:
Base-Base interactions energy: -84.812
where: short stacking energy: -37.274
Base-Backbone interact. energy: -0.076
local terms energy: -54.303711
where:
bonds (distance) C4'-P energy: -10.209
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -11.168
flat angles P-C4'-P energy: -5.706
tors. eta vs tors. theta energy: -13.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -145.662125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.662125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.662125 (E_RNA)
where:
Base-Base interactions energy: -92.024
where: short stacking energy: -40.916
Base-Backbone interact. energy: -0.023
local terms energy: -53.614827
where:
bonds (distance) C4'-P energy: -10.894
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -12.124
flat angles P-C4'-P energy: -6.033
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: 4, replica: 5
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -128.788586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.788586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.788586 (E_RNA)
where:
Base-Base interactions energy: -70.470
where: short stacking energy: -34.048
Base-Backbone interact. energy: -0.142
local terms energy: -58.177031
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -12.258
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -10.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -76.863448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.863448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.863448 (E_RNA)
where:
Base-Base interactions energy: -36.786
where: short stacking energy: -22.308
Base-Backbone interact. energy: -1.152
local terms energy: -38.925789
where:
bonds (distance) C4'-P energy: -8.997
bonds (distance) P-C4' energy: -10.172
flat angles C4'-P-C4' energy: -6.232
flat angles P-C4'-P energy: -4.920
tors. eta vs tors. theta energy: -8.605
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: 6, replica: 7
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -107.869971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.869971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.869971 (E_RNA)
where:
Base-Base interactions energy: -59.250
where: short stacking energy: -25.299
Base-Backbone interact. energy: 0.085
local terms energy: -48.704871
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -10.809
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: -6.729
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: 3
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -85.369841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.369841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.369841 (E_RNA)
where:
Base-Base interactions energy: -44.522
where: short stacking energy: -19.067
Base-Backbone interact. energy: -0.046
local terms energy: -40.801873
where:
bonds (distance) C4'-P energy: -5.667
bonds (distance) P-C4' energy: -12.314
flat angles C4'-P-C4' energy: -10.917
flat angles P-C4'-P energy: -6.689
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: 8, replica: 8
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -63.693077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.693077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.693077 (E_RNA)
where:
Base-Base interactions energy: -21.410
where: short stacking energy: -18.099
Base-Backbone interact. energy: -0.527
local terms energy: -41.756276
where:
bonds (distance) C4'-P energy: -10.785
bonds (distance) P-C4' energy: -10.401
flat angles C4'-P-C4' energy: -8.838
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -1.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -71.773526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.773526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.773526 (E_RNA)
where:
Base-Base interactions energy: -35.972
where: short stacking energy: -17.010
Base-Backbone interact. energy: 0.111
local terms energy: -35.911580
where:
bonds (distance) C4'-P energy: -10.955
bonds (distance) P-C4' energy: -10.920
flat angles C4'-P-C4' energy: -7.681
flat angles P-C4'-P energy: -5.240
tors. eta vs tors. theta energy: -1.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -54.662377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.662377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.662377 (E_RNA)
where:
Base-Base interactions energy: -23.038
where: short stacking energy: -0.436
Base-Backbone interact. energy: -0.276
local terms energy: -31.347606
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -9.780
flat angles P-C4'-P energy: -4.221
tors. eta vs tors. theta energy: 4.758
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: 4
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -142.319548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.319548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.319548 (E_RNA)
where:
Base-Base interactions energy: -90.865
where: short stacking energy: -37.429
Base-Backbone interact. energy: -0.197
local terms energy: -51.257803
where:
bonds (distance) C4'-P energy: -10.618
bonds (distance) P-C4' energy: -11.618
flat angles C4'-P-C4' energy: -11.582
flat angles P-C4'-P energy: -7.142
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: 2, replica: 10
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -135.691491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.691491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.691491 (E_RNA)
where:
Base-Base interactions energy: -87.857
where: short stacking energy: -32.673
Base-Backbone interact. energy: -0.328
local terms energy: -47.506252
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -8.504
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -6.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -135.724806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.724806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.724806 (E_RNA)
where:
Base-Base interactions energy: -82.885
where: short stacking energy: -36.717
Base-Backbone interact. energy: -0.144
local terms energy: -52.696272
where:
bonds (distance) C4'-P energy: -12.453
bonds (distance) P-C4' energy: -9.753
flat angles C4'-P-C4' energy: -10.990
flat angles P-C4'-P energy: -7.040
tors. eta vs tors. theta energy: -12.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -128.093591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.093591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.093591 (E_RNA)
where:
Base-Base interactions energy: -68.991
where: short stacking energy: -33.108
Base-Backbone interact. energy: -0.183
local terms energy: -58.919234
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -14.153
flat angles C4'-P-C4' energy: -11.056
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -12.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -83.146139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.146139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.146139 (E_RNA)
where:
Base-Base interactions energy: -38.639
where: short stacking energy: -19.564
Base-Backbone interact. energy: -1.182
local terms energy: -43.325332
where:
bonds (distance) C4'-P energy: -7.042
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -10.874
flat angles P-C4'-P energy: -6.075
tors. eta vs tors. theta energy: -5.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -127.523726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.523726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.523726 (E_RNA)
where:
Base-Base interactions energy: -82.663
where: short stacking energy: -35.670
Base-Backbone interact. energy: -0.171
local terms energy: -44.690171
where:
bonds (distance) C4'-P energy: -8.788
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -7.963
flat angles P-C4'-P energy: -7.817
tors. eta vs tors. theta energy: -6.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -73.971677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.971677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.971677 (E_RNA)
where:
Base-Base interactions energy: -35.600
where: short stacking energy: -9.227
Base-Backbone interact. energy: -0.339
local terms energy: -38.032519
where:
bonds (distance) C4'-P energy: -5.726
bonds (distance) P-C4' energy: -11.314
flat angles C4'-P-C4' energy: -12.125
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -0.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -62.621170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.621170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.621170 (E_RNA)
where:
Base-Base interactions energy: -22.254
where: short stacking energy: -18.994
Base-Backbone interact. energy: -0.007
local terms energy: -40.359517
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -9.027
flat angles C4'-P-C4' energy: -8.720
flat angles P-C4'-P energy: -5.964
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: 9, replica: 8
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -62.141744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.141744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.141744 (E_RNA)
where:
Base-Base interactions energy: -22.110
where: short stacking energy: -13.748
Base-Backbone interact. energy: -0.076
local terms energy: -39.956412
where:
bonds (distance) C4'-P energy: -10.945
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -10.510
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: 0.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -51.053229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.053229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.053229 (E_RNA)
where:
Base-Base interactions energy: -11.179
where: short stacking energy: -10.851
Base-Backbone interact. energy: -0.696
local terms energy: -39.177844
where:
bonds (distance) C4'-P energy: -11.518
bonds (distance) P-C4' energy: -10.961
flat angles C4'-P-C4' energy: -7.501
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: -1.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -150.561103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.561103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.561103 (E_RNA)
where:
Base-Base interactions energy: -97.015
where: short stacking energy: -41.068
Base-Backbone interact. energy: -0.103
local terms energy: -53.442740
where:
bonds (distance) C4'-P energy: -9.585
bonds (distance) P-C4' energy: -10.957
flat angles C4'-P-C4' energy: -11.008
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -14.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -135.527940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.527940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.527940 (E_RNA)
where:
Base-Base interactions energy: -84.956
where: short stacking energy: -31.431
Base-Backbone interact. energy: -0.055
local terms energy: -50.516988
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -12.097
flat angles P-C4'-P energy: -4.850
tors. eta vs tors. theta energy: -9.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -136.808652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.808652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.808652 (E_RNA)
where:
Base-Base interactions energy: -81.453
where: short stacking energy: -43.257
Base-Backbone interact. energy: -0.126
local terms energy: -55.229718
where:
bonds (distance) C4'-P energy: -10.780
bonds (distance) P-C4' energy: -9.049
flat angles C4'-P-C4' energy: -11.810
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -14.593
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: 2
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -129.568761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.568761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.568761 (E_RNA)
where:
Base-Base interactions energy: -83.060
where: short stacking energy: -36.628
Base-Backbone interact. energy: -0.110
local terms energy: -46.399043
where:
bonds (distance) C4'-P energy: -9.389
bonds (distance) P-C4' energy: -10.865
flat angles C4'-P-C4' energy: -12.591
flat angles P-C4'-P energy: -5.069
tors. eta vs tors. theta energy: -8.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -125.121353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.121353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.121353 (E_RNA)
where:
Base-Base interactions energy: -79.224
where: short stacking energy: -28.408
Base-Backbone interact. energy: -0.012
local terms energy: -45.884726
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -10.261
flat angles P-C4'-P energy: -3.883
tors. eta vs tors. theta energy: -7.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -68.513552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.513552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.513552 (E_RNA)
where:
Base-Base interactions energy: -32.304
where: short stacking energy: -22.647
Base-Backbone interact. energy: -0.139
local terms energy: -36.071053
where:
bonds (distance) C4'-P energy: -10.810
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -9.941
flat angles P-C4'-P energy: -5.046
tors. eta vs tors. theta energy: 2.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -71.512561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.512561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.512561 (E_RNA)
where:
Base-Base interactions energy: -24.382
where: short stacking energy: -24.382
Base-Backbone interact. energy: -0.057
local terms energy: -47.073740
where:
bonds (distance) C4'-P energy: -11.704
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -8.636
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: -5.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -73.329918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.329918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.329918 (E_RNA)
where:
Base-Base interactions energy: -36.810
where: short stacking energy: -19.879
Base-Backbone interact. energy: -0.065
local terms energy: -36.454563
where:
bonds (distance) C4'-P energy: -9.108
bonds (distance) P-C4' energy: -8.435
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -1.344
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: 482
Temperature: 1.300000
Total energy: -67.046541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.046541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.046541 (E_RNA)
where:
Base-Base interactions energy: -21.557
where: short stacking energy: -21.557
Base-Backbone interact. energy: 0.275
local terms energy: -45.763849
where:
bonds (distance) C4'-P energy: -11.481
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -11.474
flat angles P-C4'-P energy: -6.785
tors. eta vs tors. theta energy: -3.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -52.980657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.980657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.980657 (E_RNA)
where:
Base-Base interactions energy: -21.502
where: short stacking energy: -10.979
Base-Backbone interact. energy: -0.240
local terms energy: -31.238964
where:
bonds (distance) C4'-P energy: -8.405
bonds (distance) P-C4' energy: -13.802
flat angles C4'-P-C4' energy: -8.350
flat angles P-C4'-P energy: -3.881
tors. eta vs tors. theta energy: 3.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -149.942190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.942190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.942190 (E_RNA)
where:
Base-Base interactions energy: -98.144
where: short stacking energy: -41.609
Base-Backbone interact. energy: -0.384
local terms energy: -51.414897
where:
bonds (distance) C4'-P energy: -9.008
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -8.507
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -11.643
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: 10
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -161.750652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.750652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.750652 (E_RNA)
where:
Base-Base interactions energy: -105.001
where: short stacking energy: -30.394
Base-Backbone interact. energy: 0.127
local terms energy: -56.876140
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -14.245
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -9.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -126.960388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.960388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.960388 (E_RNA)
where:
Base-Base interactions energy: -76.797
where: short stacking energy: -37.346
Base-Backbone interact. energy: -0.038
local terms energy: -50.125660
where:
bonds (distance) C4'-P energy: -11.071
bonds (distance) P-C4' energy: -9.682
flat angles C4'-P-C4' energy: -9.893
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -10.637
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: 7
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -141.326311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.326311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.326311 (E_RNA)
where:
Base-Base interactions energy: -92.333
where: short stacking energy: -32.704
Base-Backbone interact. energy: -0.115
local terms energy: -48.877432
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -6.732
flat angles P-C4'-P energy: -8.579
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: 5, replica: 2
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -131.808183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.808183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.808183 (E_RNA)
where:
Base-Base interactions energy: -91.656
where: short stacking energy: -35.810
Base-Backbone interact. energy: -0.077
local terms energy: -40.075034
where:
bonds (distance) C4'-P energy: -11.062
bonds (distance) P-C4' energy: -5.616
flat angles C4'-P-C4' energy: -6.397
flat angles P-C4'-P energy: -8.037
tors. eta vs tors. theta energy: -8.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -77.513899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.513899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.513899 (E_RNA)
where:
Base-Base interactions energy: -32.759
where: short stacking energy: -24.653
Base-Backbone interact. energy: -0.040
local terms energy: -44.714037
where:
bonds (distance) C4'-P energy: -7.808
bonds (distance) P-C4' energy: -9.954
flat angles C4'-P-C4' energy: -11.194
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -8.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -71.274628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.274628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.274628 (E_RNA)
where:
Base-Base interactions energy: -31.405
where: short stacking energy: -21.378
Base-Backbone interact. energy: -0.130
local terms energy: -39.739821
where:
bonds (distance) C4'-P energy: -11.042
bonds (distance) P-C4' energy: -8.485
flat angles C4'-P-C4' energy: -7.517
flat angles P-C4'-P energy: -5.915
tors. eta vs tors. theta energy: -6.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -83.982747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.982747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.982747 (E_RNA)
where:
Base-Base interactions energy: -42.721
where: short stacking energy: -13.867
Base-Backbone interact. energy: -0.803
local terms energy: -40.458897
where:
bonds (distance) C4'-P energy: -10.057
bonds (distance) P-C4' energy: -10.803
flat angles C4'-P-C4' energy: -7.674
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -1.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -55.347811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.347811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.347811 (E_RNA)
where:
Base-Base interactions energy: -22.142
where: short stacking energy: -12.077
Base-Backbone interact. energy: -0.239
local terms energy: -32.966410
where:
bonds (distance) C4'-P energy: -11.551
bonds (distance) P-C4' energy: -9.697
flat angles C4'-P-C4' energy: -5.779
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: 0.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -59.826098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.826098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.826098 (E_RNA)
where:
Base-Base interactions energy: -21.008
where: short stacking energy: -12.421
Base-Backbone interact. energy: 1.109
local terms energy: -39.926579
where:
bonds (distance) C4'-P energy: -8.839
bonds (distance) P-C4' energy: -10.930
flat angles C4'-P-C4' energy: -9.612
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -2.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -163.561997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.561997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.561997 (E_RNA)
where:
Base-Base interactions energy: -109.164
where: short stacking energy: -39.992
Base-Backbone interact. energy: -0.029
local terms energy: -54.368894
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -10.467
flat angles C4'-P-C4' energy: -12.408
flat angles P-C4'-P energy: -5.844
tors. eta vs tors. theta energy: -12.672
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: 2, replica: 4
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -146.290962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.290962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.290962 (E_RNA)
where:
Base-Base interactions energy: -87.307
where: short stacking energy: -45.916
Base-Backbone interact. energy: -0.001
local terms energy: -58.982641
where:
bonds (distance) C4'-P energy: -12.937
bonds (distance) P-C4' energy: -11.971
flat angles C4'-P-C4' energy: -11.097
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: -15.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -146.761044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.761044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.761044 (E_RNA)
where:
Base-Base interactions energy: -98.384
where: short stacking energy: -38.062
Base-Backbone interact. energy: -0.104
local terms energy: -48.273729
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -9.268
flat angles C4'-P-C4' energy: -11.104
flat angles P-C4'-P energy: -5.573
tors. eta vs tors. theta energy: -10.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -131.491508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.491508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.491508 (E_RNA)
where:
Base-Base interactions energy: -80.808
where: short stacking energy: -30.109
Base-Backbone interact. energy: -0.312
local terms energy: -50.370965
where:
bonds (distance) C4'-P energy: -12.312
bonds (distance) P-C4' energy: -11.889
flat angles C4'-P-C4' energy: -11.134
flat angles P-C4'-P energy: -7.452
tors. eta vs tors. theta energy: -7.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -135.521980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.521980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.521980 (E_RNA)
where:
Base-Base interactions energy: -86.464
where: short stacking energy: -26.604
Base-Backbone interact. energy: -0.006
local terms energy: -49.052055
where:
bonds (distance) C4'-P energy: -8.727
bonds (distance) P-C4' energy: -9.920
flat angles C4'-P-C4' energy: -7.559
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -12.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -62.675541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.675541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.675541 (E_RNA)
where:
Base-Base interactions energy: -22.010
where: short stacking energy: -16.298
Base-Backbone interact. energy: -0.003
local terms energy: -40.662729
where:
bonds (distance) C4'-P energy: -10.831
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -9.455
flat angles P-C4'-P energy: -5.654
tors. eta vs tors. theta energy: -2.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -65.738907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.738907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.738907 (E_RNA)
where:
Base-Base interactions energy: -20.425
where: short stacking energy: -14.116
Base-Backbone interact. energy: -0.076
local terms energy: -45.238081
where:
bonds (distance) C4'-P energy: -10.798
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -12.479
flat angles P-C4'-P energy: -7.233
tors. eta vs tors. theta energy: -2.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -64.870976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.870976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.870976 (E_RNA)
where:
Base-Base interactions energy: -20.467
where: short stacking energy: -14.863
Base-Backbone interact. energy: -0.041
local terms energy: -44.363484
where:
bonds (distance) C4'-P energy: -8.433
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -9.673
flat angles P-C4'-P energy: -8.606
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: 9, replica: 8
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -58.302504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.302504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.302504 (E_RNA)
where:
Base-Base interactions energy: -13.395
where: short stacking energy: -13.395
Base-Backbone interact. energy: 1.078
local terms energy: -45.985555
where:
bonds (distance) C4'-P energy: -12.586
bonds (distance) P-C4' energy: -11.902
flat angles C4'-P-C4' energy: -8.611
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -4.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -62.794735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.794735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.794735 (E_RNA)
where:
Base-Base interactions energy: -21.682
where: short stacking energy: -16.078
Base-Backbone interact. energy: 0.044
local terms energy: -41.156706
where:
bonds (distance) C4'-P energy: -11.699
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -7.992
flat angles P-C4'-P energy: -5.690
tors. eta vs tors. theta energy: -2.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -159.104756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.104756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.104756 (E_RNA)
where:
Base-Base interactions energy: -107.399
where: short stacking energy: -26.615
Base-Backbone interact. energy: -0.470
local terms energy: -51.235804
where:
bonds (distance) C4'-P energy: -10.797
bonds (distance) P-C4' energy: -11.011
flat angles C4'-P-C4' energy: -10.776
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -9.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -152.318908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.318908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.318908 (E_RNA)
where:
Base-Base interactions energy: -98.193
where: short stacking energy: -35.783
Base-Backbone interact. energy: -0.002
local terms energy: -54.123918
where:
bonds (distance) C4'-P energy: -10.937
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -5.483
tors. eta vs tors. theta energy: -12.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -146.649329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.649329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.649329 (E_RNA)
where:
Base-Base interactions energy: -95.845
where: short stacking energy: -35.482
Base-Backbone interact. energy: -0.097
local terms energy: -50.706695
where:
bonds (distance) C4'-P energy: -8.321
bonds (distance) P-C4' energy: -9.955
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -10.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -139.394225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.394225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.394225 (E_RNA)
where:
Base-Base interactions energy: -86.310
where: short stacking energy: -39.710
Base-Backbone interact. energy: -0.017
local terms energy: -53.067552
where:
bonds (distance) C4'-P energy: -9.017
bonds (distance) P-C4' energy: -11.599
flat angles C4'-P-C4' energy: -10.150
flat angles P-C4'-P energy: -9.934
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: 5, replica: 5
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -120.746603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.746603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.746603 (E_RNA)
where:
Base-Base interactions energy: -71.101
where: short stacking energy: -32.815
Base-Backbone interact. energy: -0.113
local terms energy: -49.533306
where:
bonds (distance) C4'-P energy: -8.802
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -9.487
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -10.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -73.869199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.869199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.869199 (E_RNA)
where:
Base-Base interactions energy: -33.181
where: short stacking energy: -19.323
Base-Backbone interact. energy: -0.103
local terms energy: -40.584984
where:
bonds (distance) C4'-P energy: -7.153
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -10.322
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -2.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -67.271890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.271890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.271890 (E_RNA)
where:
Base-Base interactions energy: -27.604
where: short stacking energy: -19.684
Base-Backbone interact. energy: -0.301
local terms energy: -39.367276
where:
bonds (distance) C4'-P energy: -8.846
bonds (distance) P-C4' energy: -8.470
flat angles C4'-P-C4' energy: -10.116
flat angles P-C4'-P energy: -7.154
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: 8, replica: 8
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -63.864895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.864895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.864895 (E_RNA)
where:
Base-Base interactions energy: -27.553
where: short stacking energy: -18.593
Base-Backbone interact. energy: -0.027
local terms energy: -36.284908
where:
bonds (distance) C4'-P energy: -6.844
bonds (distance) P-C4' energy: -10.143
flat angles C4'-P-C4' energy: -9.783
flat angles P-C4'-P energy: -7.096
tors. eta vs tors. theta energy: -2.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -57.697663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.697663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.697663 (E_RNA)
where:
Base-Base interactions energy: -16.922
where: short stacking energy: -10.643
Base-Backbone interact. energy: 1.434
local terms energy: -42.209742
where:
bonds (distance) C4'-P energy: -13.861
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -11.156
flat angles P-C4'-P energy: -4.582
tors. eta vs tors. theta energy: 0.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -50.487652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.487652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.487652 (E_RNA)
where:
Base-Base interactions energy: -9.737
where: short stacking energy: -6.283
Base-Backbone interact. energy: -0.138
local terms energy: -40.612215
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -11.211
flat angles C4'-P-C4' energy: -10.104
flat angles P-C4'-P energy: -8.649
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: 1, replica: 10
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -160.168210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.168210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.168210 (E_RNA)
where:
Base-Base interactions energy: -99.688
where: short stacking energy: -36.704
Base-Backbone interact. energy: -0.057
local terms energy: -60.423042
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -7.245
tors. eta vs tors. theta energy: -13.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -150.503220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.503220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.503220 (E_RNA)
where:
Base-Base interactions energy: -100.981
where: short stacking energy: -34.452
Base-Backbone interact. energy: -0.108
local terms energy: -49.413980
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -8.588
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -9.831
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: 2
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -132.979345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.979345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.979345 (E_RNA)
where:
Base-Base interactions energy: -82.289
where: short stacking energy: -36.366
Base-Backbone interact. energy: -0.034
local terms energy: -50.656091
where:
bonds (distance) C4'-P energy: -9.361
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -10.780
flat angles P-C4'-P energy: -4.642
tors. eta vs tors. theta energy: -12.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -142.611762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.611762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.611762 (E_RNA)
where:
Base-Base interactions energy: -91.872
where: short stacking energy: -26.933
Base-Backbone interact. energy: -0.113
local terms energy: -50.627122
where:
bonds (distance) C4'-P energy: -11.542
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -11.828
flat angles P-C4'-P energy: -5.296
tors. eta vs tors. theta energy: -9.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -129.343253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.343253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.343253 (E_RNA)
where:
Base-Base interactions energy: -79.505
where: short stacking energy: -32.014
Base-Backbone interact. energy: -0.012
local terms energy: -49.826106
where:
bonds (distance) C4'-P energy: -9.054
bonds (distance) P-C4' energy: -12.188
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -7.367
tors. eta vs tors. theta energy: -8.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -82.855371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.855371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.855371 (E_RNA)
where:
Base-Base interactions energy: -41.546
where: short stacking energy: -17.602
Base-Backbone interact. energy: -0.237
local terms energy: -41.072419
where:
bonds (distance) C4'-P energy: -9.978
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -11.406
flat angles P-C4'-P energy: -5.298
tors. eta vs tors. theta energy: -2.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -65.951151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.951151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.951151 (E_RNA)
where:
Base-Base interactions energy: -23.592
where: short stacking energy: -20.495
Base-Backbone interact. energy: -0.056
local terms energy: -42.303757
where:
bonds (distance) C4'-P energy: -11.041
bonds (distance) P-C4' energy: -9.950
flat angles C4'-P-C4' energy: -11.958
flat angles P-C4'-P energy: -7.417
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: 8, replica: 6
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -58.605500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.605500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.605500 (E_RNA)
where:
Base-Base interactions energy: -24.686
where: short stacking energy: -13.843
Base-Backbone interact. energy: 0.133
local terms energy: -34.052626
where:
bonds (distance) C4'-P energy: -9.517
bonds (distance) P-C4' energy: -10.985
flat angles C4'-P-C4' energy: -10.427
flat angles P-C4'-P energy: -4.058
tors. eta vs tors. theta energy: 0.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -64.523278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.523278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.523278 (E_RNA)
where:
Base-Base interactions energy: -18.791
where: short stacking energy: -18.791
Base-Backbone interact. energy: -0.070
local terms energy: -45.662302
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -9.523
flat angles P-C4'-P energy: -5.834
tors. eta vs tors. theta energy: -4.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -58.878628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.878628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.878628 (E_RNA)
where:
Base-Base interactions energy: -17.112
where: short stacking energy: -16.281
Base-Backbone interact. energy: -0.145
local terms energy: -41.621232
where:
bonds (distance) C4'-P energy: -8.086
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -10.265
flat angles P-C4'-P energy: -8.287
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: 1, replica: 10
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -151.425887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.425887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.425887 (E_RNA)
where:
Base-Base interactions energy: -100.317
where: short stacking energy: -38.635
Base-Backbone interact. energy: -0.055
local terms energy: -51.054015
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -10.535
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -5.526
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: 2, replica: 7
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -150.413362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.413362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.413362 (E_RNA)
where:
Base-Base interactions energy: -91.208
where: short stacking energy: -34.260
Base-Backbone interact. energy: -0.100
local terms energy: -59.105359
where:
bonds (distance) C4'-P energy: -12.449
bonds (distance) P-C4' energy: -12.566
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -11.755
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: 487
Temperature: 1.000000
Total energy: -137.958805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.958805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.958805 (E_RNA)
where:
Base-Base interactions energy: -87.765
where: short stacking energy: -34.146
Base-Backbone interact. energy: -1.194
local terms energy: -48.999866
where:
bonds (distance) C4'-P energy: -10.792
bonds (distance) P-C4' energy: -10.612
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: -7.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -138.738762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.738762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.738762 (E_RNA)
where:
Base-Base interactions energy: -97.340
where: short stacking energy: -29.345
Base-Backbone interact. energy: -0.102
local terms energy: -41.297188
where:
bonds (distance) C4'-P energy: -9.910
bonds (distance) P-C4' energy: -9.384
flat angles C4'-P-C4' energy: -10.854
flat angles P-C4'-P energy: -2.237
tors. eta vs tors. theta energy: -8.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -128.712489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.712489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.712489 (E_RNA)
where:
Base-Base interactions energy: -79.927
where: short stacking energy: -25.199
Base-Backbone interact. energy: -0.110
local terms energy: -48.675197
where:
bonds (distance) C4'-P energy: -11.050
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -10.360
flat angles P-C4'-P energy: -7.855
tors. eta vs tors. theta energy: -5.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -65.942103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.942103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.942103 (E_RNA)
where:
Base-Base interactions energy: -23.693
where: short stacking energy: -17.044
Base-Backbone interact. energy: 1.938
local terms energy: -44.186754
where:
bonds (distance) C4'-P energy: -9.853
bonds (distance) P-C4' energy: -11.005
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -1.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -58.906165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.906165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.906165 (E_RNA)
where:
Base-Base interactions energy: -20.536
where: short stacking energy: -20.536
Base-Backbone interact. energy: -0.103
local terms energy: -38.267317
where:
bonds (distance) C4'-P energy: -8.512
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -8.692
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -1.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -75.248945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.248945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.248945 (E_RNA)
where:
Base-Base interactions energy: -39.480
where: short stacking energy: -13.351
Base-Backbone interact. energy: -0.330
local terms energy: -35.438554
where:
bonds (distance) C4'-P energy: -8.064
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -8.911
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: 3.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -61.010694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.010694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.010694 (E_RNA)
where:
Base-Base interactions energy: -34.894
where: short stacking energy: -24.810
Base-Backbone interact. energy: -0.207
local terms energy: -25.909511
where:
bonds (distance) C4'-P energy: -12.151
bonds (distance) P-C4' energy: -10.976
flat angles C4'-P-C4' energy: -0.565
flat angles P-C4'-P energy: -3.383
tors. eta vs tors. theta energy: 1.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -55.183200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.183200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.183200 (E_RNA)
where:
Base-Base interactions energy: -21.293
where: short stacking energy: -13.499
Base-Backbone interact. energy: -1.003
local terms energy: -32.887091
where:
bonds (distance) C4'-P energy: -5.552
bonds (distance) P-C4' energy: -12.249
flat angles C4'-P-C4' energy: -8.220
flat angles P-C4'-P energy: -8.053
tors. eta vs tors. theta energy: 1.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -151.332409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.332409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.332409 (E_RNA)
where:
Base-Base interactions energy: -93.322
where: short stacking energy: -42.471
Base-Backbone interact. energy: -0.045
local terms energy: -57.965605
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -11.142
flat angles P-C4'-P energy: -9.092
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: 2, replica: 7
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -144.780952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.780952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.780952 (E_RNA)
where:
Base-Base interactions energy: -91.620
where: short stacking energy: -41.438
Base-Backbone interact. energy: 0.200
local terms energy: -53.361443
where:
bonds (distance) C4'-P energy: -9.858
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -11.700
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -10.378
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: 5
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -139.827281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.827281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.827281 (E_RNA)
where:
Base-Base interactions energy: -90.467
where: short stacking energy: -35.881
Base-Backbone interact. energy: 0.422
local terms energy: -49.781821
where:
bonds (distance) C4'-P energy: -9.704
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -9.730
flat angles P-C4'-P energy: -5.320
tors. eta vs tors. theta energy: -11.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -134.800162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.800162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.800162 (E_RNA)
where:
Base-Base interactions energy: -84.535
where: short stacking energy: -34.138
Base-Backbone interact. energy: -0.003
local terms energy: -50.262321
where:
bonds (distance) C4'-P energy: -7.865
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -11.281
flat angles P-C4'-P energy: -7.043
tors. eta vs tors. theta energy: -11.146
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: 4
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -139.233895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.233895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.233895 (E_RNA)
where:
Base-Base interactions energy: -85.518
where: short stacking energy: -36.432
Base-Backbone interact. energy: -0.086
local terms energy: -53.629420
where:
bonds (distance) C4'-P energy: -8.893
bonds (distance) P-C4' energy: -11.288
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -13.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -83.003713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.003713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.003713 (E_RNA)
where:
Base-Base interactions energy: -39.672
where: short stacking energy: -19.169
Base-Backbone interact. energy: -0.099
local terms energy: -43.232634
where:
bonds (distance) C4'-P energy: -9.126
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -3.880
tors. eta vs tors. theta energy: -1.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -67.657577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.657577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.657577 (E_RNA)
where:
Base-Base interactions energy: -26.643
where: short stacking energy: -20.164
Base-Backbone interact. energy: -0.130
local terms energy: -40.884440
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -4.279
flat angles P-C4'-P energy: -8.033
tors. eta vs tors. theta energy: -2.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -58.220627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.220627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.220627 (E_RNA)
where:
Base-Base interactions energy: -16.995
where: short stacking energy: -13.890
Base-Backbone interact. energy: -0.080
local terms energy: -41.145871
where:
bonds (distance) C4'-P energy: -11.380
bonds (distance) P-C4' energy: -11.508
flat angles C4'-P-C4' energy: -9.557
flat angles P-C4'-P energy: -5.759
tors. eta vs tors. theta energy: -2.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -61.823864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.823864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.823864 (E_RNA)
where:
Base-Base interactions energy: -18.283
where: short stacking energy: -8.933
Base-Backbone interact. energy: -0.355
local terms energy: -43.185926
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -10.336
flat angles P-C4'-P energy: -7.236
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: 10, replica: 6
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -69.620172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.620172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.620172 (E_RNA)
where:
Base-Base interactions energy: -23.882
where: short stacking energy: -13.459
Base-Backbone interact. energy: -0.288
local terms energy: -45.450546
where:
bonds (distance) C4'-P energy: -14.187
bonds (distance) P-C4' energy: -12.199
flat angles C4'-P-C4' energy: -10.420
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -0.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -157.896340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.896340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.896340 (E_RNA)
where:
Base-Base interactions energy: -100.151
where: short stacking energy: -44.548
Base-Backbone interact. energy: -0.021
local terms energy: -57.724828
where:
bonds (distance) C4'-P energy: -11.393
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -10.890
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -12.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -157.099160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.099160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.099160 (E_RNA)
where:
Base-Base interactions energy: -102.709
where: short stacking energy: -37.379
Base-Backbone interact. energy: -0.112
local terms energy: -54.277872
where:
bonds (distance) C4'-P energy: -12.278
bonds (distance) P-C4' energy: -12.556
flat angles C4'-P-C4' energy: -10.037
flat angles P-C4'-P energy: -7.325
tors. eta vs tors. theta energy: -12.081
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: 7
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -143.437258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.437258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.437258 (E_RNA)
where:
Base-Base interactions energy: -92.563
where: short stacking energy: -41.315
Base-Backbone interact. energy: -0.312
local terms energy: -50.562494
where:
bonds (distance) C4'-P energy: -11.674
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -8.757
flat angles P-C4'-P energy: -5.225
tors. eta vs tors. theta energy: -11.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -132.855175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.855175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.855175 (E_RNA)
where:
Base-Base interactions energy: -80.027
where: short stacking energy: -29.765
Base-Backbone interact. energy: -0.005
local terms energy: -52.823719
where:
bonds (distance) C4'-P energy: -11.985
bonds (distance) P-C4' energy: -9.315
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -7.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -135.428502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.428502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.428502 (E_RNA)
where:
Base-Base interactions energy: -84.326
where: short stacking energy: -41.597
Base-Backbone interact. energy: -0.015
local terms energy: -51.088096
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -7.439
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -7.559
tors. eta vs tors. theta energy: -10.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -86.431899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.431899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.431899 (E_RNA)
where:
Base-Base interactions energy: -49.353
where: short stacking energy: -22.892
Base-Backbone interact. energy: -0.190
local terms energy: -36.889304
where:
bonds (distance) C4'-P energy: -8.617
bonds (distance) P-C4' energy: -10.845
flat angles C4'-P-C4' energy: -9.116
flat angles P-C4'-P energy: -4.569
tors. eta vs tors. theta energy: -3.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -73.615565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.615565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.615565 (E_RNA)
where:
Base-Base interactions energy: -34.208
where: short stacking energy: -16.120
Base-Backbone interact. energy: -0.099
local terms energy: -39.308373
where:
bonds (distance) C4'-P energy: -6.657
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -7.318
flat angles P-C4'-P energy: -8.280
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: 8, replica: 9
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -59.468587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.468587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.468587 (E_RNA)
where:
Base-Base interactions energy: -26.713
where: short stacking energy: -25.018
Base-Backbone interact. energy: -0.592
local terms energy: -32.163756
where:
bonds (distance) C4'-P energy: -8.442
bonds (distance) P-C4' energy: -9.432
flat angles C4'-P-C4' energy: -7.349
flat angles P-C4'-P energy: -4.680
tors. eta vs tors. theta energy: -2.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -59.055317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.055317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.055317 (E_RNA)
where:
Base-Base interactions energy: -21.136
where: short stacking energy: -21.136
Base-Backbone interact. energy: -0.143
local terms energy: -37.776837
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -8.254
flat angles C4'-P-C4' energy: -9.202
flat angles P-C4'-P energy: -4.506
tors. eta vs tors. theta energy: -2.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -84.484726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.484726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.484726 (E_RNA)
where:
Base-Base interactions energy: -47.534
where: short stacking energy: -22.840
Base-Backbone interact. energy: 0.345
local terms energy: -37.296078
where:
bonds (distance) C4'-P energy: -8.512
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -7.694
flat angles P-C4'-P energy: -5.054
tors. eta vs tors. theta energy: -3.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -154.590018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.590018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.590018 (E_RNA)
where:
Base-Base interactions energy: -102.036
where: short stacking energy: -42.479
Base-Backbone interact. energy: -0.184
local terms energy: -52.369552
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -10.298
flat angles P-C4'-P energy: -4.996
tors. eta vs tors. theta energy: -12.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -151.807909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.807909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.807909 (E_RNA)
where:
Base-Base interactions energy: -97.828
where: short stacking energy: -31.515
Base-Backbone interact. energy: -0.853
local terms energy: -53.126747
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -11.429
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: -8.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -142.464122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.464122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.464122 (E_RNA)
where:
Base-Base interactions energy: -90.251
where: short stacking energy: -42.238
Base-Backbone interact. energy: 0.007
local terms energy: -52.220616
where:
bonds (distance) C4'-P energy: -9.824
bonds (distance) P-C4' energy: -12.234
flat angles C4'-P-C4' energy: -10.476
flat angles P-C4'-P energy: -6.226
tors. eta vs tors. theta energy: -13.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -137.423876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.423876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.423876 (E_RNA)
where:
Base-Base interactions energy: -92.326
where: short stacking energy: -36.579
Base-Backbone interact. energy: -0.011
local terms energy: -45.086828
where:
bonds (distance) C4'-P energy: -10.775
bonds (distance) P-C4' energy: -8.901
flat angles C4'-P-C4' energy: -9.437
flat angles P-C4'-P energy: -6.228
tors. eta vs tors. theta energy: -9.746
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: 5, replica: 2
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -134.661804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.661804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.661804 (E_RNA)
where:
Base-Base interactions energy: -83.071
where: short stacking energy: -35.463
Base-Backbone interact. energy: -0.082
local terms energy: -51.509169
where:
bonds (distance) C4'-P energy: -9.489
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -10.656
flat angles P-C4'-P energy: -6.339
tors. eta vs tors. theta energy: -11.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -83.607948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.607948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.607948 (E_RNA)
where:
Base-Base interactions energy: -36.499
where: short stacking energy: -15.137
Base-Backbone interact. energy: -0.229
local terms energy: -46.879548
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: 1.751
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: 1
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -68.565529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.565529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.565529 (E_RNA)
where:
Base-Base interactions energy: -24.325
where: short stacking energy: -14.358
Base-Backbone interact. energy: -0.101
local terms energy: -44.138931
where:
bonds (distance) C4'-P energy: -6.526
bonds (distance) P-C4' energy: -13.097
flat angles C4'-P-C4' energy: -9.876
flat angles P-C4'-P energy: -8.613
tors. eta vs tors. theta energy: -6.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -64.672121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.672121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.672121 (E_RNA)
where:
Base-Base interactions energy: -28.827
where: short stacking energy: -16.072
Base-Backbone interact. energy: 0.107
local terms energy: -35.951982
where:
bonds (distance) C4'-P energy: -9.092
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -9.288
flat angles P-C4'-P energy: -3.471
tors. eta vs tors. theta energy: -2.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -89.414769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.414769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.414769 (E_RNA)
where:
Base-Base interactions energy: -46.479
where: short stacking energy: -18.109
Base-Backbone interact. energy: -0.231
local terms energy: -42.704160
where:
bonds (distance) C4'-P energy: -10.971
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -10.438
flat angles P-C4'-P energy: -6.750
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: 8
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -63.628564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.628564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.628564 (E_RNA)
where:
Base-Base interactions energy: -22.844
where: short stacking energy: -19.151
Base-Backbone interact. energy: -0.006
local terms energy: -40.778737
where:
bonds (distance) C4'-P energy: -9.331
bonds (distance) P-C4' energy: -11.234
flat angles C4'-P-C4' energy: -9.979
flat angles P-C4'-P energy: -6.715
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: 1, replica: 5
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -151.011812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.011812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.011812 (E_RNA)
where:
Base-Base interactions energy: -96.500
where: short stacking energy: -26.635
Base-Backbone interact. energy: -0.893
local terms energy: -53.619575
where:
bonds (distance) C4'-P energy: -12.436
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -9.412
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -11.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -150.346674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.346674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.346674 (E_RNA)
where:
Base-Base interactions energy: -99.914
where: short stacking energy: -42.657
Base-Backbone interact. energy: 0.307
local terms energy: -50.739160
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -9.851
flat angles C4'-P-C4' energy: -11.716
flat angles P-C4'-P energy: -4.047
tors. eta vs tors. theta energy: -11.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -151.720020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.720020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.720020 (E_RNA)
where:
Base-Base interactions energy: -97.804
where: short stacking energy: -39.660
Base-Backbone interact. energy: -0.267
local terms energy: -53.648575
where:
bonds (distance) C4'-P energy: -10.962
bonds (distance) P-C4' energy: -11.504
flat angles C4'-P-C4' energy: -11.423
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -11.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -136.452063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.452063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.452063 (E_RNA)
where:
Base-Base interactions energy: -84.430
where: short stacking energy: -39.891
Base-Backbone interact. energy: -0.127
local terms energy: -51.894936
where:
bonds (distance) C4'-P energy: -10.668
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -10.267
flat angles P-C4'-P energy: -5.853
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: 5, replica: 7
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -122.636040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.636040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.636040 (E_RNA)
where:
Base-Base interactions energy: -79.907
where: short stacking energy: -35.151
Base-Backbone interact. energy: -0.157
local terms energy: -42.572255
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -9.406
flat angles P-C4'-P energy: 1.254
tors. eta vs tors. theta energy: -9.189
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: 1
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -72.302262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.302262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.302262 (E_RNA)
where:
Base-Base interactions energy: -30.325
where: short stacking energy: -26.542
Base-Backbone interact. energy: -0.008
local terms energy: -41.969061
where:
bonds (distance) C4'-P energy: -10.918
bonds (distance) P-C4' energy: -7.318
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -7.336
tors. eta vs tors. theta energy: -3.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -60.779058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.779058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.779058 (E_RNA)
where:
Base-Base interactions energy: -17.156
where: short stacking energy: -9.163
Base-Backbone interact. energy: -0.139
local terms energy: -43.483475
where:
bonds (distance) C4'-P energy: -11.401
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -10.632
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: 0.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -62.383310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.383310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.383310 (E_RNA)
where:
Base-Base interactions energy: -20.465
where: short stacking energy: -20.465
Base-Backbone interact. energy: -0.095
local terms energy: -41.822742
where:
bonds (distance) C4'-P energy: -6.889
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -10.587
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -3.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -56.320326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.320326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.320326 (E_RNA)
where:
Base-Base interactions energy: -14.362
where: short stacking energy: -8.910
Base-Backbone interact. energy: -0.044
local terms energy: -41.914527
where:
bonds (distance) C4'-P energy: -12.403
bonds (distance) P-C4' energy: -9.771
flat angles C4'-P-C4' energy: -12.498
flat angles P-C4'-P energy: -7.632
tors. eta vs tors. theta energy: 0.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -61.898652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.898652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.898652 (E_RNA)
where:
Base-Base interactions energy: -21.094
where: short stacking energy: -16.290
Base-Backbone interact. energy: -0.154
local terms energy: -40.650810
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -11.648
flat angles C4'-P-C4' energy: -6.528
flat angles P-C4'-P energy: -6.939
tors. eta vs tors. theta energy: -3.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -154.330304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.330304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.330304 (E_RNA)
where:
Base-Base interactions energy: -101.332
where: short stacking energy: -37.723
Base-Backbone interact. energy: -0.007
local terms energy: -52.991075
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: -10.211
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: 5
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -156.763469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.763469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.763469 (E_RNA)
where:
Base-Base interactions energy: -105.101
where: short stacking energy: -45.959
Base-Backbone interact. energy: -0.005
local terms energy: -51.657725
where:
bonds (distance) C4'-P energy: -7.447
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -10.125
flat angles P-C4'-P energy: -9.606
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: 3, replica: 10
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -139.822972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.822972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.822972 (E_RNA)
where:
Base-Base interactions energy: -83.478
where: short stacking energy: -28.316
Base-Backbone interact. energy: -0.647
local terms energy: -55.698200
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -9.716
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -9.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -133.625728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.625728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.625728 (E_RNA)
where:
Base-Base interactions energy: -79.548
where: short stacking energy: -34.582
Base-Backbone interact. energy: -0.737
local terms energy: -53.340618
where:
bonds (distance) C4'-P energy: -11.621
bonds (distance) P-C4' energy: -11.140
flat angles C4'-P-C4' energy: -9.258
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -11.541
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: 7
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -125.980146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.980146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.980146 (E_RNA)
where:
Base-Base interactions energy: -79.418
where: short stacking energy: -27.453
Base-Backbone interact. energy: -0.078
local terms energy: -46.484794
where:
bonds (distance) C4'-P energy: -11.290
bonds (distance) P-C4' energy: -11.821
flat angles C4'-P-C4' energy: -8.579
flat angles P-C4'-P energy: -5.532
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: 6, replica: 1
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -72.438063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.438063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.438063 (E_RNA)
where:
Base-Base interactions energy: -26.438
where: short stacking energy: -26.438
Base-Backbone interact. energy: -0.078
local terms energy: -45.921229
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -10.935
flat angles P-C4'-P energy: -7.192
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: 7, replica: 3
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -73.807337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.807337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.807337 (E_RNA)
where:
Base-Base interactions energy: -28.980
where: short stacking energy: -21.189
Base-Backbone interact. energy: 0.556
local terms energy: -45.383289
where:
bonds (distance) C4'-P energy: -10.069
bonds (distance) P-C4' energy: -10.646
flat angles C4'-P-C4' energy: -9.757
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -7.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -82.819330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.819330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.819330 (E_RNA)
where:
Base-Base interactions energy: -44.315
where: short stacking energy: -17.052
Base-Backbone interact. energy: -0.198
local terms energy: -38.305481
where:
bonds (distance) C4'-P energy: -10.855
bonds (distance) P-C4' energy: -10.684
flat angles C4'-P-C4' energy: -12.751
flat angles P-C4'-P energy: -6.031
tors. eta vs tors. theta energy: 2.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -59.677263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.677263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.677263 (E_RNA)
where:
Base-Base interactions energy: -24.106
where: short stacking energy: -18.285
Base-Backbone interact. energy: -0.077
local terms energy: -35.494051
where:
bonds (distance) C4'-P energy: -8.421
bonds (distance) P-C4' energy: -7.798
flat angles C4'-P-C4' energy: -12.334
flat angles P-C4'-P energy: -6.674
tors. eta vs tors. theta energy: -0.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -69.549771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.549771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.549771 (E_RNA)
where:
Base-Base interactions energy: -28.420
where: short stacking energy: -16.729
Base-Backbone interact. energy: -0.074
local terms energy: -41.055649
where:
bonds (distance) C4'-P energy: -11.116
bonds (distance) P-C4' energy: -10.217
flat angles C4'-P-C4' energy: -7.082
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: -5.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -149.710538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.710538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.710538 (E_RNA)
where:
Base-Base interactions energy: -101.420
where: short stacking energy: -28.240
Base-Backbone interact. energy: -0.226
local terms energy: -48.064893
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -8.568
flat angles P-C4'-P energy: -5.226
tors. eta vs tors. theta energy: -8.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -149.523156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.523156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.523156 (E_RNA)
where:
Base-Base interactions energy: -98.234
where: short stacking energy: -38.588
Base-Backbone interact. energy: -0.009
local terms energy: -51.280764
where:
bonds (distance) C4'-P energy: -9.312
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -9.640
flat angles P-C4'-P energy: -5.490
tors. eta vs tors. theta energy: -13.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -140.958143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.958143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.958143 (E_RNA)
where:
Base-Base interactions energy: -82.980
where: short stacking energy: -43.190
Base-Backbone interact. energy: -0.137
local terms energy: -57.841097
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -10.161
flat angles C4'-P-C4' energy: -10.540
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -14.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -132.422052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.422052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.422052 (E_RNA)
where:
Base-Base interactions energy: -83.373
where: short stacking energy: -38.215
Base-Backbone interact. energy: 2.224
local terms energy: -51.273449
where:
bonds (distance) C4'-P energy: -11.439
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -10.928
flat angles P-C4'-P energy: -7.108
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: 5, replica: 7
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -133.900173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.900173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.900173 (E_RNA)
where:
Base-Base interactions energy: -83.332
where: short stacking energy: -41.655
Base-Backbone interact. energy: -0.001
local terms energy: -50.567265
where:
bonds (distance) C4'-P energy: -11.662
bonds (distance) P-C4' energy: -11.104
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -5.520
tors. eta vs tors. theta energy: -10.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -68.962554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.962554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.962554 (E_RNA)
where:
Base-Base interactions energy: -24.249
where: short stacking energy: -16.669
Base-Backbone interact. energy: -0.050
local terms energy: -44.663536
where:
bonds (distance) C4'-P energy: -10.276
bonds (distance) P-C4' energy: -11.823
flat angles C4'-P-C4' energy: -7.477
flat angles P-C4'-P energy: -10.436
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: 7, replica: 1
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -70.790688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.790688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.790688 (E_RNA)
where:
Base-Base interactions energy: -26.008
where: short stacking energy: -26.008
Base-Backbone interact. energy: -0.007
local terms energy: -44.775938
where:
bonds (distance) C4'-P energy: -9.480
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -10.692
flat angles P-C4'-P energy: -7.306
tors. eta vs tors. theta energy: -4.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -67.569638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.569638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.569638 (E_RNA)
where:
Base-Base interactions energy: -22.600
where: short stacking energy: -18.938
Base-Backbone interact. energy: -0.021
local terms energy: -44.948355
where:
bonds (distance) C4'-P energy: -9.304
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: -2.927
tors. eta vs tors. theta energy: -7.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -72.114426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.114426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.114426 (E_RNA)
where:
Base-Base interactions energy: -32.199
where: short stacking energy: -18.516
Base-Backbone interact. energy: -0.283
local terms energy: -39.632562
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -6.082
flat angles P-C4'-P energy: -5.035
tors. eta vs tors. theta energy: -1.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -66.488500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.488500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.488500 (E_RNA)
where:
Base-Base interactions energy: -26.610
where: short stacking energy: -10.466
Base-Backbone interact. energy: 0.818
local terms energy: -40.696351
where:
bonds (distance) C4'-P energy: -11.206
bonds (distance) P-C4' energy: -10.183
flat angles C4'-P-C4' energy: -9.798
flat angles P-C4'-P energy: -6.761
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: 4
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -152.629451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.629451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.629451 (E_RNA)
where:
Base-Base interactions energy: -106.139
where: short stacking energy: -28.801
Base-Backbone interact. energy: -0.206
local terms energy: -46.283765
where:
bonds (distance) C4'-P energy: -12.151
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -7.302
flat angles P-C4'-P energy: -3.357
tors. eta vs tors. theta energy: -8.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -157.449254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.449254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.449254 (E_RNA)
where:
Base-Base interactions energy: -104.452
where: short stacking energy: -44.374
Base-Backbone interact. energy: -0.024
local terms energy: -52.973160
where:
bonds (distance) C4'-P energy: -9.539
bonds (distance) P-C4' energy: -11.508
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -8.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -134.007840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.007840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.007840 (E_RNA)
where:
Base-Base interactions energy: -89.302
where: short stacking energy: -29.352
Base-Backbone interact. energy: -0.025
local terms energy: -44.680343
where:
bonds (distance) C4'-P energy: -9.738
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -9.420
flat angles P-C4'-P energy: -6.706
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: 4, replica: 10
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -143.691714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.691714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.691714 (E_RNA)
where:
Base-Base interactions energy: -98.050
where: short stacking energy: -38.799
Base-Backbone interact. energy: -0.291
local terms energy: -45.350795
where:
bonds (distance) C4'-P energy: -11.604
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -5.165
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: 5, replica: 7
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -128.978771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.978771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.978771 (E_RNA)
where:
Base-Base interactions energy: -74.120
where: short stacking energy: -36.909
Base-Backbone interact. energy: -0.156
local terms energy: -54.702609
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -9.799
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -12.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -68.432445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.432445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.432445 (E_RNA)
where:
Base-Base interactions energy: -20.867
where: short stacking energy: -17.630
Base-Backbone interact. energy: -0.031
local terms energy: -47.534493
where:
bonds (distance) C4'-P energy: -11.799
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -9.814
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: -5.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -76.704553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.704553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.704553 (E_RNA)
where:
Base-Base interactions energy: -35.467
where: short stacking energy: -16.202
Base-Backbone interact. energy: -0.139
local terms energy: -41.099125
where:
bonds (distance) C4'-P energy: -9.312
bonds (distance) P-C4' energy: -12.663
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -3.253
tors. eta vs tors. theta energy: -2.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -68.345586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.345586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.345586 (E_RNA)
where:
Base-Base interactions energy: -22.440
where: short stacking energy: -22.440
Base-Backbone interact. energy: -0.681
local terms energy: -45.224358
where:
bonds (distance) C4'-P energy: -9.638
bonds (distance) P-C4' energy: -10.376
flat angles C4'-P-C4' energy: -8.148
flat angles P-C4'-P energy: -9.253
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: 9, replica: 9
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -61.133628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.133628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.133628 (E_RNA)
where:
Base-Base interactions energy: -16.446
where: short stacking energy: -16.446
Base-Backbone interact. energy: -0.039
local terms energy: -44.648988
where:
bonds (distance) C4'-P energy: -11.476
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -9.851
flat angles P-C4'-P energy: -5.943
tors. eta vs tors. theta energy: -3.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -80.581227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.581227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.581227 (E_RNA)
where:
Base-Base interactions energy: -37.234
where: short stacking energy: -12.971
Base-Backbone interact. energy: -0.009
local terms energy: -43.339022
where:
bonds (distance) C4'-P energy: -10.553
bonds (distance) P-C4' energy: -11.033
flat angles C4'-P-C4' energy: -10.834
flat angles P-C4'-P energy: -5.619
tors. eta vs tors. theta energy: -5.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -153.269050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.269050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.269050 (E_RNA)
where:
Base-Base interactions energy: -103.365
where: short stacking energy: -37.184
Base-Backbone interact. energy: -0.022
local terms energy: -49.882009
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -5.531
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -9.556
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: 2
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -142.257248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.257248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.257248 (E_RNA)
where:
Base-Base interactions energy: -94.851
where: short stacking energy: -28.056
Base-Backbone interact. energy: -0.120
local terms energy: -47.285814
where:
bonds (distance) C4'-P energy: -10.335
bonds (distance) P-C4' energy: -9.922
flat angles C4'-P-C4' energy: -11.807
flat angles P-C4'-P energy: -7.217
tors. eta vs tors. theta energy: -8.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -138.783122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.783122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.783122 (E_RNA)
where:
Base-Base interactions energy: -98.380
where: short stacking energy: -28.262
Base-Backbone interact. energy: -0.150
local terms energy: -40.253444
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -11.265
flat angles P-C4'-P energy: -1.270
tors. eta vs tors. theta energy: -3.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -131.687404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.687404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.687404 (E_RNA)
where:
Base-Base interactions energy: -80.903
where: short stacking energy: -40.073
Base-Backbone interact. energy: -0.101
local terms energy: -50.682987
where:
bonds (distance) C4'-P energy: -9.895
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -9.238
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: 5, replica: 10
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -129.669100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.669100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.669100 (E_RNA)
where:
Base-Base interactions energy: -83.733
where: short stacking energy: -35.251
Base-Backbone interact. energy: -0.015
local terms energy: -45.921138
where:
bonds (distance) C4'-P energy: -10.925
bonds (distance) P-C4' energy: -6.330
flat angles C4'-P-C4' energy: -10.812
flat angles P-C4'-P energy: -8.216
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: 6, replica: 8
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -66.760974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.760974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.760974 (E_RNA)
where:
Base-Base interactions energy: -29.114
where: short stacking energy: -29.114
Base-Backbone interact. energy: -0.014
local terms energy: -37.632261
where:
bonds (distance) C4'-P energy: -6.906
bonds (distance) P-C4' energy: -10.890
flat angles C4'-P-C4' energy: -8.859
flat angles P-C4'-P energy: -5.505
tors. eta vs tors. theta energy: -5.473
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: 3
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -66.915068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.915068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.915068 (E_RNA)
where:
Base-Base interactions energy: -26.924
where: short stacking energy: -14.257
Base-Backbone interact. energy: -0.507
local terms energy: -39.483368
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -11.151
flat angles P-C4'-P energy: -4.275
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: 8, replica: 9
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -64.714028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.714028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.714028 (E_RNA)
where:
Base-Base interactions energy: -22.920
where: short stacking energy: -22.920
Base-Backbone interact. energy: -0.015
local terms energy: -41.778698
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -6.103
flat angles C4'-P-C4' energy: -6.856
flat angles P-C4'-P energy: -7.250
tors. eta vs tors. theta energy: -8.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -58.196849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.196849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.196849 (E_RNA)
where:
Base-Base interactions energy: -22.462
where: short stacking energy: -9.138
Base-Backbone interact. energy: -0.045
local terms energy: -35.689145
where:
bonds (distance) C4'-P energy: -7.050
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -11.360
flat angles P-C4'-P energy: -6.481
tors. eta vs tors. theta energy: 2.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -53.471428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.471428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.471428 (E_RNA)
where:
Base-Base interactions energy: -15.032
where: short stacking energy: -15.032
Base-Backbone interact. energy: -0.028
local terms energy: -38.411670
where:
bonds (distance) C4'-P energy: -8.392
bonds (distance) P-C4' energy: -12.163
flat angles C4'-P-C4' energy: -10.649
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: 1.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -154.480372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.480372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.480372 (E_RNA)
where:
Base-Base interactions energy: -103.870
where: short stacking energy: -33.404
Base-Backbone interact. energy: -0.270
local terms energy: -50.340271
where:
bonds (distance) C4'-P energy: -9.368
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -12.366
flat angles P-C4'-P energy: -0.889
tors. eta vs tors. theta energy: -13.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -146.113765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.113765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.113765 (E_RNA)
where:
Base-Base interactions energy: -91.676
where: short stacking energy: -29.334
Base-Backbone interact. energy: -0.049
local terms energy: -54.389306
where:
bonds (distance) C4'-P energy: -8.949
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: -8.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -132.354353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.354353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.354353 (E_RNA)
where:
Base-Base interactions energy: -84.749
where: short stacking energy: -32.720
Base-Backbone interact. energy: 0.479
local terms energy: -48.084620
where:
bonds (distance) C4'-P energy: -7.361
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -11.711
flat angles P-C4'-P energy: -4.399
tors. eta vs tors. theta energy: -12.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -136.340570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.340570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.340570 (E_RNA)
where:
Base-Base interactions energy: -82.243
where: short stacking energy: -34.652
Base-Backbone interact. energy: -0.003
local terms energy: -54.094937
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -9.727
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: -9.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -126.050585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.050585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.050585 (E_RNA)
where:
Base-Base interactions energy: -80.118
where: short stacking energy: -34.990
Base-Backbone interact. energy: -0.097
local terms energy: -45.835713
where:
bonds (distance) C4'-P energy: -7.899
bonds (distance) P-C4' energy: -12.207
flat angles C4'-P-C4' energy: -9.946
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -7.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -74.797107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.797107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.797107 (E_RNA)
where:
Base-Base interactions energy: -34.644
where: short stacking energy: -16.297
Base-Backbone interact. energy: -0.167
local terms energy: -39.985859
where:
bonds (distance) C4'-P energy: -10.458
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -9.732
flat angles P-C4'-P energy: -3.705
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: 7, replica: 9
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -71.752219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.752219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.752219 (E_RNA)
where:
Base-Base interactions energy: -29.637
where: short stacking energy: -14.605
Base-Backbone interact. energy: -0.111
local terms energy: -42.004571
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -11.479
flat angles C4'-P-C4' energy: -10.393
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: 0.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -65.130062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.130062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.130062 (E_RNA)
where:
Base-Base interactions energy: -28.212
where: short stacking energy: -18.097
Base-Backbone interact. energy: -0.214
local terms energy: -36.704267
where:
bonds (distance) C4'-P energy: -10.872
bonds (distance) P-C4' energy: -8.598
flat angles C4'-P-C4' energy: -11.288
flat angles P-C4'-P energy: -6.639
tors. eta vs tors. theta energy: 0.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -68.136479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.136479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.136479 (E_RNA)
where:
Base-Base interactions energy: -35.311
where: short stacking energy: -19.700
Base-Backbone interact. energy: -0.127
local terms energy: -32.698014
where:
bonds (distance) C4'-P energy: -11.446
bonds (distance) P-C4' energy: -8.115
flat angles C4'-P-C4' energy: -4.846
flat angles P-C4'-P energy: -5.107
tors. eta vs tors. theta energy: -3.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -62.253007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.253007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.253007 (E_RNA)
where:
Base-Base interactions energy: -35.260
where: short stacking energy: -15.009
Base-Backbone interact. energy: 0.002
local terms energy: -26.995045
where:
bonds (distance) C4'-P energy: -8.743
bonds (distance) P-C4' energy: -9.230
flat angles C4'-P-C4' energy: -7.570
flat angles P-C4'-P energy: -4.490
tors. eta vs tors. theta energy: 3.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -156.873875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.873875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.873875 (E_RNA)
where:
Base-Base interactions energy: -104.205
where: short stacking energy: -38.555
Base-Backbone interact. energy: -0.011
local terms energy: -52.658295
where:
bonds (distance) C4'-P energy: -8.384
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -11.818
flat angles P-C4'-P energy: -8.027
tors. eta vs tors. theta energy: -11.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -139.447662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.447662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.447662 (E_RNA)
where:
Base-Base interactions energy: -86.100
where: short stacking energy: -31.225
Base-Backbone interact. energy: -0.105
local terms energy: -53.242386
where:
bonds (distance) C4'-P energy: -11.302
bonds (distance) P-C4' energy: -10.522
flat angles C4'-P-C4' energy: -9.813
flat angles P-C4'-P energy: -9.075
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: 3, replica: 4
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -147.236935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.236935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.236935 (E_RNA)
where:
Base-Base interactions energy: -95.385
where: short stacking energy: -37.248
Base-Backbone interact. energy: -0.823
local terms energy: -51.028546
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -10.812
flat angles C4'-P-C4' energy: -11.711
flat angles P-C4'-P energy: -7.523
tors. eta vs tors. theta energy: -10.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -128.316807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.316807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.316807 (E_RNA)
where:
Base-Base interactions energy: -83.162
where: short stacking energy: -29.090
Base-Backbone interact. energy: -0.089
local terms energy: -45.065647
where:
bonds (distance) C4'-P energy: -11.438
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -10.272
flat angles P-C4'-P energy: -4.374
tors. eta vs tors. theta energy: -6.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -120.167902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.167902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.167902 (E_RNA)
where:
Base-Base interactions energy: -76.562
where: short stacking energy: -30.648
Base-Backbone interact. energy: -0.060
local terms energy: -43.545500
where:
bonds (distance) C4'-P energy: -7.906
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -7.933
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: -6.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -80.933860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.933860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.933860 (E_RNA)
where:
Base-Base interactions energy: -33.688
where: short stacking energy: -33.688
Base-Backbone interact. energy: -0.110
local terms energy: -47.135706
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -10.788
flat angles C4'-P-C4' energy: -8.968
flat angles P-C4'-P energy: -6.418
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: 7, replica: 8
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -62.136231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.136231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.136231 (E_RNA)
where:
Base-Base interactions energy: -27.592
where: short stacking energy: -17.171
Base-Backbone interact. energy: -0.574
local terms energy: -33.970955
where:
bonds (distance) C4'-P energy: -7.331
bonds (distance) P-C4' energy: -10.151
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -4.404
tors. eta vs tors. theta energy: 0.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -60.607157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.607157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.607157 (E_RNA)
where:
Base-Base interactions energy: -16.481
where: short stacking energy: -16.481
Base-Backbone interact. energy: -0.072
local terms energy: -44.054501
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -10.302
flat angles P-C4'-P energy: -8.041
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: 9, replica: 3
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -68.471085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.471085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.471085 (E_RNA)
where:
Base-Base interactions energy: -31.821
where: short stacking energy: -10.812
Base-Backbone interact. energy: -0.309
local terms energy: -36.340870
where:
bonds (distance) C4'-P energy: -10.569
bonds (distance) P-C4' energy: -12.547
flat angles C4'-P-C4' energy: -8.721
flat angles P-C4'-P energy: -6.580
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: 10, replica: 1
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -67.739958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.739958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.739958 (E_RNA)
where:
Base-Base interactions energy: -31.167
where: short stacking energy: -8.279
Base-Backbone interact. energy: 0.815
local terms energy: -37.387964
where:
bonds (distance) C4'-P energy: -9.365
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -9.845
flat angles P-C4'-P energy: -5.854
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: 7
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -145.679632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.679632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.679632 (E_RNA)
where:
Base-Base interactions energy: -98.463
where: short stacking energy: -39.123
Base-Backbone interact. energy: -0.010
local terms energy: -47.206904
where:
bonds (distance) C4'-P energy: -7.642
bonds (distance) P-C4' energy: -10.501
flat angles C4'-P-C4' energy: -10.690
flat angles P-C4'-P energy: -7.354
tors. eta vs tors. theta energy: -11.020
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: 2
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -149.288274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.288274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.288274 (E_RNA)
where:
Base-Base interactions energy: -91.066
where: short stacking energy: -36.871
Base-Backbone interact. energy: -0.126
local terms energy: -58.096386
where:
bonds (distance) C4'-P energy: -11.104
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -10.011
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -12.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -144.436840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.436840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.436840 (E_RNA)
where:
Base-Base interactions energy: -95.255
where: short stacking energy: -34.528
Base-Backbone interact. energy: -0.018
local terms energy: -49.164506
where:
bonds (distance) C4'-P energy: -10.457
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -8.874
flat angles P-C4'-P energy: -5.540
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: 4, replica: 10
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -115.983769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.983769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.983769 (E_RNA)
where:
Base-Base interactions energy: -81.014
where: short stacking energy: -35.199
Base-Backbone interact. energy: -0.002
local terms energy: -34.967855
where:
bonds (distance) C4'-P energy: -8.764
bonds (distance) P-C4' energy: -12.338
flat angles C4'-P-C4' energy: -5.751
flat angles P-C4'-P energy: -4.563
tors. eta vs tors. theta energy: -3.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -126.833097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.833097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.833097 (E_RNA)
where:
Base-Base interactions energy: -74.185
where: short stacking energy: -33.116
Base-Backbone interact. energy: -0.015
local terms energy: -52.633681
where:
bonds (distance) C4'-P energy: -11.149
bonds (distance) P-C4' energy: -10.118
flat angles C4'-P-C4' energy: -9.772
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -12.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -73.625533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.625533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.625533 (E_RNA)
where:
Base-Base interactions energy: -35.184
where: short stacking energy: -17.379
Base-Backbone interact. energy: 0.301
local terms energy: -38.742293
where:
bonds (distance) C4'-P energy: -10.495
bonds (distance) P-C4' energy: -8.746
flat angles C4'-P-C4' energy: -10.585
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -0.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -61.947568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.947568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.947568 (E_RNA)
where:
Base-Base interactions energy: -20.354
where: short stacking energy: -20.354
Base-Backbone interact. energy: -0.041
local terms energy: -41.553274
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -8.045
flat angles P-C4'-P energy: -3.456
tors. eta vs tors. theta energy: -5.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -60.926292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.926292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.926292 (E_RNA)
where:
Base-Base interactions energy: -19.860
where: short stacking energy: -19.860
Base-Backbone interact. energy: -0.017
local terms energy: -41.048859
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -8.869
flat angles P-C4'-P energy: -5.153
tors. eta vs tors. theta energy: -3.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -64.454273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.454273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.454273 (E_RNA)
where:
Base-Base interactions energy: -21.171
where: short stacking energy: -16.730
Base-Backbone interact. energy: -0.079
local terms energy: -43.205043
where:
bonds (distance) C4'-P energy: -8.806
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -9.381
flat angles P-C4'-P energy: -9.145
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: 10, replica: 3
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -58.564178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.564178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.564178 (E_RNA)
where:
Base-Base interactions energy: -18.911
where: short stacking energy: -12.626
Base-Backbone interact. energy: -1.233
local terms energy: -38.419800
where:
bonds (distance) C4'-P energy: -14.403
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -8.760
flat angles P-C4'-P energy: -2.007
tors. eta vs tors. theta energy: -0.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -159.243052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.243052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.243052 (E_RNA)
where:
Base-Base interactions energy: -99.398
where: short stacking energy: -36.731
Base-Backbone interact. energy: -1.102
local terms energy: -58.743032
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -10.602
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: 2, replica: 4
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -137.901591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.901591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.901591 (E_RNA)
where:
Base-Base interactions energy: -82.338
where: short stacking energy: -29.627
Base-Backbone interact. energy: -0.011
local terms energy: -55.551916
where:
bonds (distance) C4'-P energy: -12.693
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -10.784
flat angles P-C4'-P energy: -8.322
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: 3, replica: 2
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -134.116778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.116778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.116778 (E_RNA)
where:
Base-Base interactions energy: -76.698
where: short stacking energy: -28.168
Base-Backbone interact. energy: -0.165
local terms energy: -57.254551
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -6.893
tors. eta vs tors. theta energy: -12.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -125.927223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.927223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.927223 (E_RNA)
where:
Base-Base interactions energy: -76.505
where: short stacking energy: -37.783
Base-Backbone interact. energy: 2.205
local terms energy: -51.627103
where:
bonds (distance) C4'-P energy: -8.484
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -8.350
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -13.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -90.149123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.149123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.149123 (E_RNA)
where:
Base-Base interactions energy: -61.693
where: short stacking energy: -15.255
Base-Backbone interact. energy: -0.495
local terms energy: -27.960239
where:
bonds (distance) C4'-P energy: -8.892
bonds (distance) P-C4' energy: -7.035
flat angles C4'-P-C4' energy: -1.793
flat angles P-C4'-P energy: -5.023
tors. eta vs tors. theta energy: -5.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -71.399955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.399955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.399955 (E_RNA)
where:
Base-Base interactions energy: -25.357
where: short stacking energy: -22.572
Base-Backbone interact. energy: -0.089
local terms energy: -45.954150
where:
bonds (distance) C4'-P energy: -10.544
bonds (distance) P-C4' energy: -11.256
flat angles C4'-P-C4' energy: -9.082
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: -6.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -73.075498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.075498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.075498 (E_RNA)
where:
Base-Base interactions energy: -38.568
where: short stacking energy: -14.189
Base-Backbone interact. energy: -1.090
local terms energy: -33.417458
where:
bonds (distance) C4'-P energy: -9.178
bonds (distance) P-C4' energy: -11.395
flat angles C4'-P-C4' energy: -6.465
flat angles P-C4'-P energy: -2.651
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: 8, replica: 8
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -64.048887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.048887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.048887 (E_RNA)
where:
Base-Base interactions energy: -27.539
where: short stacking energy: -18.099
Base-Backbone interact. energy: -0.059
local terms energy: -36.450571
where:
bonds (distance) C4'-P energy: -8.599
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -8.615
flat angles P-C4'-P energy: -3.803
tors. eta vs tors. theta energy: -2.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -56.652972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.652972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.652972 (E_RNA)
where:
Base-Base interactions energy: -15.919
where: short stacking energy: -15.919
Base-Backbone interact. energy: -0.040
local terms energy: -40.693777
where:
bonds (distance) C4'-P energy: -11.033
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -9.556
flat angles P-C4'-P energy: -5.914
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: 3
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -57.081523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.081523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.081523 (E_RNA)
where:
Base-Base interactions energy: -13.770
where: short stacking energy: -13.770
Base-Backbone interact. energy: -1.598
local terms energy: -41.713686
where:
bonds (distance) C4'-P energy: -9.357
bonds (distance) P-C4' energy: -6.362
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -4.895
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)
out arg RESULTS//1/MALAT1-16-a050e325_01
DONE
DONE
==================================
temp. level: 1, replica: 7
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -154.625893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.625893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.625893 (E_RNA)
where:
Base-Base interactions energy: -101.919
where: short stacking energy: -36.659
Base-Backbone interact. energy: -0.199
local terms energy: -52.508462
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -8.930
flat angles C4'-P-C4' energy: -7.418
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -12.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -152.665037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.665037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.665037 (E_RNA)
where:
Base-Base interactions energy: -103.982
where: short stacking energy: -38.033
Base-Backbone interact. energy: -0.052
local terms energy: -48.630301
where:
bonds (distance) C4'-P energy: -11.368
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -9.947
flat angles P-C4'-P energy: -4.721
tors. eta vs tors. theta energy: -10.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -134.675489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.675489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.675489 (E_RNA)
where:
Base-Base interactions energy: -79.518
where: short stacking energy: -30.208
Base-Backbone interact. energy: -0.003
local terms energy: -55.155309
where:
bonds (distance) C4'-P energy: -11.124
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -10.748
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -9.701
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: 2
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -137.683377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.683377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.683377 (E_RNA)
where:
Base-Base interactions energy: -90.129
where: short stacking energy: -26.566
Base-Backbone interact. energy: -0.028
local terms energy: -47.526269
where:
bonds (distance) C4'-P energy: -9.798
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -9.144
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: -7.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -91.279346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.279346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.279346 (E_RNA)
where:
Base-Base interactions energy: -55.690
where: short stacking energy: -24.451
Base-Backbone interact. energy: -0.214
local terms energy: -35.375883
where:
bonds (distance) C4'-P energy: -8.388
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -5.727
flat angles P-C4'-P energy: -2.818
tors. eta vs tors. theta energy: -6.961
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: 6, replica: 5
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -69.856734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.856734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.856734 (E_RNA)
where:
Base-Base interactions energy: -21.300
where: short stacking energy: -18.990
Base-Backbone interact. energy: -0.082
local terms energy: -48.475011
where:
bonds (distance) C4'-P energy: -11.923
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -11.153
flat angles P-C4'-P energy: -5.578
tors. eta vs tors. theta energy: -6.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -64.446815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.446815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.446815 (E_RNA)
where:
Base-Base interactions energy: -18.288
where: short stacking energy: -18.288
Base-Backbone interact. energy: -0.167
local terms energy: -45.991803
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -9.491
flat angles C4'-P-C4' energy: -8.859
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -6.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -74.805516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.805516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.805516 (E_RNA)
where:
Base-Base interactions energy: -31.952
where: short stacking energy: -16.784
Base-Backbone interact. energy: -0.155
local terms energy: -42.699100
where:
bonds (distance) C4'-P energy: -10.119
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -10.522
flat angles P-C4'-P energy: -7.022
tors. eta vs tors. theta energy: -1.990
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: 500
Temperature: 1.300000
Total energy: -67.385116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.385116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.385116 (E_RNA)
where:
Base-Base interactions energy: -29.974
where: short stacking energy: -9.525
Base-Backbone interact. energy: -0.155
local terms energy: -37.256212
where:
bonds (distance) C4'-P energy: -9.626
bonds (distance) P-C4' energy: -14.907
flat angles C4'-P-C4' energy: -6.288
flat angles P-C4'-P energy: -3.466
tors. eta vs tors. theta energy: -2.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -61.190196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.190196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.190196 (E_RNA)
where:
Base-Base interactions energy: -17.922
where: short stacking energy: -11.969
Base-Backbone interact. energy: -0.227
local terms energy: -43.041076
where:
bonds (distance) C4'-P energy: -12.391
bonds (distance) P-C4' energy: -11.966
flat angles C4'-P-C4' energy: -7.770
flat angles P-C4'-P energy: -7.890
tors. eta vs tors. theta energy: -3.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 7
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -162.179175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.179175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.179175 (E_RNA)
where:
Base-Base interactions energy: -105.704
where: short stacking energy: -36.044
Base-Backbone interact. energy: 0.009
local terms energy: -56.484223
where:
bonds (distance) C4'-P energy: -11.290
bonds (distance) P-C4' energy: -9.516
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -8.505
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: 2, replica: 4
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -150.908849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.908849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.908849 (E_RNA)
where:
Base-Base interactions energy: -108.405
where: short stacking energy: -43.996
Base-Backbone interact. energy: 0.354
local terms energy: -42.857439
where:
bonds (distance) C4'-P energy: -7.519
bonds (distance) P-C4' energy: -10.032
flat angles C4'-P-C4' energy: -10.837
flat angles P-C4'-P energy: -4.081
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: 3, replica: 10
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -139.583225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.583225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.583225 (E_RNA)
where:
Base-Base interactions energy: -82.040
where: short stacking energy: -43.441
Base-Backbone interact. energy: -0.007
local terms energy: -57.536030
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -10.290
flat angles P-C4'-P energy: -5.196
tors. eta vs tors. theta energy: -16.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -131.783631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.783631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.783631 (E_RNA)
where:
Base-Base interactions energy: -83.992
where: short stacking energy: -27.704
Base-Backbone interact. energy: -0.114
local terms energy: -47.678229
where:
bonds (distance) C4'-P energy: -10.697
bonds (distance) P-C4' energy: -12.560
flat angles C4'-P-C4' energy: -10.854
flat angles P-C4'-P energy: -7.622
tors. eta vs tors. theta energy: -5.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -76.113743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.113743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.113743 (E_RNA)
where:
Base-Base interactions energy: -34.751
where: short stacking energy: -21.408
Base-Backbone interact. energy: -0.057
local terms energy: -41.304916
where:
bonds (distance) C4'-P energy: -9.666
bonds (distance) P-C4' energy: -8.774
flat angles C4'-P-C4' energy: -11.098
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -4.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -72.211183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.211183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.211183 (E_RNA)
where:
Base-Base interactions energy: -31.112
where: short stacking energy: -25.686
Base-Backbone interact. energy: -0.436
local terms energy: -40.662432
where:
bonds (distance) C4'-P energy: -6.628
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -7.650
flat angles P-C4'-P energy: -6.360
tors. eta vs tors. theta energy: -7.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -72.558503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.558503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.558503 (E_RNA)
where:
Base-Base interactions energy: -22.931
where: short stacking energy: -22.164
Base-Backbone interact. energy: -0.002
local terms energy: -49.625931
where:
bonds (distance) C4'-P energy: -8.611
bonds (distance) P-C4' energy: -14.153
flat angles C4'-P-C4' energy: -9.314
flat angles P-C4'-P energy: -7.521
tors. eta vs tors. theta energy: -10.027
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: 1
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -78.692261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.692261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.692261 (E_RNA)
where:
Base-Base interactions energy: -36.944
where: short stacking energy: -21.932
Base-Backbone interact. energy: -0.163
local terms energy: -41.585455
where:
bonds (distance) C4'-P energy: -9.464
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -5.756
flat angles P-C4'-P energy: -8.189
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: 9, replica: 9
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -65.125799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.125799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.125799 (E_RNA)
where:
Base-Base interactions energy: -27.418
where: short stacking energy: -14.763
Base-Backbone interact. energy: -0.201
local terms energy: -37.507368
where:
bonds (distance) C4'-P energy: -9.829
bonds (distance) P-C4' energy: -10.860
flat angles C4'-P-C4' energy: -11.159
flat angles P-C4'-P energy: -6.096
tors. eta vs tors. theta energy: 0.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -64.612944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.612944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.612944 (E_RNA)
where:
Base-Base interactions energy: -37.754
where: short stacking energy: -18.176
Base-Backbone interact. energy: -0.101
local terms energy: -26.757746
where:
bonds (distance) C4'-P energy: -8.912
bonds (distance) P-C4' energy: -7.604
flat angles C4'-P-C4' energy: -3.857
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: 2.637
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)
replica 7 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 16793832
moves confirmed later: 20783407
all moves confirmed: 37577239
percent of confirmed moves: 4.697155
current total energy: -143.288396
recalc. total energy: -143.288396
replica 4 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 12629805
moves confirmed later: 15178194
all moves confirmed: 27807999
percent of confirmed moves: 3.476000
current total energy: -110.704611
recalc. total energy: -110.704611
replica 2 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 18168331
moves confirmed later: 22587114
all moves confirmed: 40755445
percent of confirmed moves: 5.094431
current total energy: -82.353738
recalc. total energy: -82.353738
replica 10 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 13098085
moves confirmed later: 15788790
all moves confirmed: 28886875
percent of confirmed moves: 3.610859
current total energy: -102.911292
recalc. total energy: -102.911292
replica 6 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 13558967
moves confirmed later: 16447750
all moves confirmed: 30006717
percent of confirmed moves: 3.750840
current total energy: -40.274265
recalc. total energy: -40.274265
replica 5 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 14122464
moves confirmed later: 17172714
all moves confirmed: 31295178
percent of confirmed moves: 3.911897
current total energy: -27.494190
recalc. total energy: -27.494190
replica 1 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 16429987
moves confirmed later: 20247186
all moves confirmed: 36677173
percent of confirmed moves: 4.584647
current total energy: -41.755098
recalc. total energy: -41.755098
replica 8 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 17959502
moves confirmed later: 22287371
all moves confirmed: 40246873
percent of confirmed moves: 5.030859
current total energy: -26.130748
recalc. total energy: -26.130748
replica 3 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 19730816
moves confirmed later: 24678954
all moves confirmed: 44409770
percent of confirmed moves: 5.551221
current total energy: -21.035682
recalc. total energy: -21.035682
replica 9 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 16847644
moves confirmed later: 20817038
all moves confirmed: 37664682
percent of confirmed moves: 4.708085
current total energy: -4.756349
recalc. total energy: -4.756349
Time of doing 8000000 iterations: 1667.165 seconds